smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CCNC(=O)CCc1cnn(C)n1)Cc1nc(=O)n(C)[n-]1	ZINC001377220045	921787044	/nfs/dbraw/zinc/78/70/44/921787044.db2.gz	BCOMNJKJSMFQKH-UHFFFAOYSA-N	-1	1	322.373	-1.582	20	0		DAADMM
C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1nnn(C)n1	ZINC001377232775	921791801	/nfs/dbraw/zinc/79/18/01/921791801.db2.gz	PRKJFHVAVSEUHR-SSDOTTSWSA-N	-1	1	305.298	-1.141	20	0		DAADMM
CCC(=O)NCC(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H](C)C1	ZINC001377243733	921792658	/nfs/dbraw/zinc/79/26/58/921792658.db2.gz	ANWLDSWGWLPSOU-IUCAKERBSA-N	-1	1	310.358	-1.027	20	0		DAADMM
NC(=O)CO[N-]C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	ZINC001137887535	916142992	/nfs/dbraw/zinc/14/29/92/916142992.db2.gz	LATKTHVMVYEWTA-YUMQZZPRSA-N	-1	1	319.339	-2.445	20	0		DAADMM
Cc1[n-][nH]c2ncnc(=NC(=O)c3cn(C)c(=O)n(C)c3=O)c1-2	ZINC001195532305	916160412	/nfs/dbraw/zinc/16/04/12/916160412.db2.gz	SOZRYZHVTBFQNA-UHFFFAOYSA-N	-1	1	315.293	-1.315	20	0		DAADMM
CC(=O)NC[C@]1(O)CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001299732925	916200845	/nfs/dbraw/zinc/20/08/45/916200845.db2.gz	SIRRIAJHOIZAAX-CQSZACIVSA-N	-1	1	324.337	-1.974	20	0		DAADMM
CCNC(=O)CC(=O)NCCN(CC)Cc1nc(=O)n(C)[n-]1	ZINC001317475594	916309164	/nfs/dbraw/zinc/30/91/64/916309164.db2.gz	YXIGXHXLNAKARK-UHFFFAOYSA-N	-1	1	312.374	-1.427	20	0		DAADMM
CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1nc2ncccn2n1	ZINC001317644250	916340692	/nfs/dbraw/zinc/34/06/92/916340692.db2.gz	XCMJUGIIEGQMOW-UHFFFAOYSA-N	-1	1	317.313	-1.190	20	0		DAADMM
CCNC(=O)CN1CC(NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001318072164	916367019	/nfs/dbraw/zinc/36/70/19/916367019.db2.gz	XYRJWXQXMAWYBM-UHFFFAOYSA-N	-1	1	323.353	-2.137	20	0		DAADMM
CN1CC(=O)N(CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1=O	ZINC001318395051	916388478	/nfs/dbraw/zinc/38/84/78/916388478.db2.gz	JJKPDTFVDQTGDS-ZETCQYMHSA-N	-1	1	309.286	-2.006	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCN1C(=O)CCC1=O	ZINC001318587551	916404995	/nfs/dbraw/zinc/40/49/95/916404995.db2.gz	VNUOPKBUFYINBV-UHFFFAOYSA-N	-1	1	308.294	-1.808	20	0		DAADMM
CC(C)OCCS(=O)(=O)NCC(=O)NN1CC(=O)[N-]C1=O	ZINC001318994101	916413959	/nfs/dbraw/zinc/41/39/59/916413959.db2.gz	XDORCOPYQHNLIY-UHFFFAOYSA-N	-1	1	322.343	-2.086	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCN2C(=O)NC[C@@H]2C1	ZINC001318998152	916414406	/nfs/dbraw/zinc/41/44/06/916414406.db2.gz	NQCZTVIEMMDWQT-SECBINFHSA-N	-1	1	307.310	-1.837	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCN2C(=O)NC[C@H]2C1	ZINC001318998157	916414575	/nfs/dbraw/zinc/41/45/75/916414575.db2.gz	NQCZTVIEMMDWQT-VIFPVBQESA-N	-1	1	307.310	-1.837	20	0		DAADMM
CN1CC(=O)N(CCCC(=O)OCc2nc(=O)n(C)[n-]2)C1=O	ZINC001320247051	916487426	/nfs/dbraw/zinc/48/74/26/916487426.db2.gz	ONGKJNAPZMZTEL-UHFFFAOYSA-N	-1	1	311.298	-1.174	20	0		DAADMM
COCCCS(=O)(=O)NCC(=O)OCc1nc(=O)n(C)[n-]1	ZINC001320542602	916514117	/nfs/dbraw/zinc/51/41/17/916514117.db2.gz	DZGIFABBBLFBQT-UHFFFAOYSA-N	-1	1	322.343	-1.893	20	0		DAADMM
CC(C)(CS(C)(=O)=O)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001321060628	916544804	/nfs/dbraw/zinc/54/48/04/916544804.db2.gz	PUAZQKZGOZRHNE-UHFFFAOYSA-N	-1	1	317.367	-1.134	20	0		DAADMM
CNC(=O)[C@@]1(C)CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001321277322	916558890	/nfs/dbraw/zinc/55/88/90/916558890.db2.gz	KKFLOYHGVUAURB-AWEZNQCLSA-N	-1	1	308.338	-1.089	20	0		DAADMM
CNC(=O)[C@]1(C)CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001321277323	916560698	/nfs/dbraw/zinc/56/06/98/916560698.db2.gz	KKFLOYHGVUAURB-CQSZACIVSA-N	-1	1	308.338	-1.089	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NC[C@@H](CO)[C@@H]1CCOC1	ZINC001321268638	916560898	/nfs/dbraw/zinc/56/08/98/916560898.db2.gz	UVVGUHRGNAGPMI-MNOVXSKESA-N	-1	1	311.338	-1.312	20	0		DAADMM
CCNS(=O)(=O)CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001321787751	916595129	/nfs/dbraw/zinc/59/51/29/916595129.db2.gz	YJJSYQQFYNXAKV-UHFFFAOYSA-N	-1	1	318.355	-2.018	20	0		DAADMM
Nc1ncc2c(n1)CCN(C(=O)CCn1cc[n-]c(=O)c1=O)C2	ZINC001322313182	916629202	/nfs/dbraw/zinc/62/92/02/916629202.db2.gz	PIVVNKKULYJEQV-UHFFFAOYSA-N	-1	1	316.321	-1.116	20	0		DAADMM
CC(C)(CNC(=O)CCn1cc[n-]c(=O)c1=O)S(C)(=O)=O	ZINC001322397539	916633732	/nfs/dbraw/zinc/63/37/32/916633732.db2.gz	MVNINXCLCRFJSE-UHFFFAOYSA-N	-1	1	317.367	-1.134	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NC[C@@H](O)C1CCOCC1	ZINC001322754720	916661756	/nfs/dbraw/zinc/66/17/56/916661756.db2.gz	YJWKZUXSQDFPEG-LLVKDONJSA-N	-1	1	311.338	-1.170	20	0		DAADMM
CCNC(=O)[C@H](C)NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001322953602	916680767	/nfs/dbraw/zinc/68/07/67/916680767.db2.gz	DCMLHSVKRTTZQI-QMMMGPOBSA-N	-1	1	318.337	-1.079	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)C(=O)N3C[C@H](O)C[C@H]3CO)ccnc1-2	ZINC001323010541	916685724	/nfs/dbraw/zinc/68/57/24/916685724.db2.gz	KWCFTTUJLYBFCP-DTWKUNHWSA-N	-1	1	319.321	-1.766	20	0		DAADMM
COC[C@H](CCO)NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001322994708	916686340	/nfs/dbraw/zinc/68/63/40/916686340.db2.gz	VWKRMHNJJUIVJK-VIFPVBQESA-N	-1	1	321.337	-1.206	20	0		DAADMM
CS(=O)(=O)C1(CNC(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC001324998250	916805658	/nfs/dbraw/zinc/80/56/58/916805658.db2.gz	KARULXGARDQIFG-UHFFFAOYSA-N	-1	1	315.351	-1.380	20	0		DAADMM
Cn1[n-]c(COC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)nc1=O	ZINC001325554645	916851923	/nfs/dbraw/zinc/85/19/23/916851923.db2.gz	MCXFGSHPZHCOHI-PLNGDYQASA-N	-1	1	321.293	-1.738	20	0		DAADMM
Cn1[n-]c(COC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)nc1=O	ZINC001325554646	916853675	/nfs/dbraw/zinc/85/36/75/916853675.db2.gz	MCXFGSHPZHCOHI-SNAWJCMRSA-N	-1	1	321.293	-1.738	20	0		DAADMM
CN1C(=O)CC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1=O	ZINC001325905232	916870464	/nfs/dbraw/zinc/87/04/64/916870464.db2.gz	YPVYBYSZNCSZKF-MRVPVSSYSA-N	-1	1	308.294	-1.810	20	0		DAADMM
CCn1cc(C(=O)N(CCO)CCNCc2n[nH]c(=O)[n-]2)cn1	ZINC001325997940	916880473	/nfs/dbraw/zinc/88/04/73/916880473.db2.gz	ZZWPKPOXFWNDJH-UHFFFAOYSA-N	-1	1	323.357	-1.049	20	0		DAADMM
CS(=O)(=O)CCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001326515344	916927194	/nfs/dbraw/zinc/92/71/94/916927194.db2.gz	ZFEYEHVBBNKYEN-UHFFFAOYSA-N	-1	1	303.340	-1.522	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CC[C@@H]2COC(=O)N[C@H]2C1	ZINC001326664063	916943674	/nfs/dbraw/zinc/94/36/74/916943674.db2.gz	MKERMKVOBSUNJR-ZJUUUORDSA-N	-1	1	322.321	-1.116	20	0		DAADMM
CCCNC(=O)CNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001326742202	916951980	/nfs/dbraw/zinc/95/19/80/916951980.db2.gz	NUBIAHDDLHQFPQ-UHFFFAOYSA-N	-1	1	318.337	-1.077	20	0		DAADMM
CNC(=O)[C@H](C)NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001327838057	917046882	/nfs/dbraw/zinc/04/68/82/917046882.db2.gz	HNIYCOQZCARMNP-ZETCQYMHSA-N	-1	1	304.310	-1.469	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)C(=O)NC(C)(CO)CO)ccnc1-2	ZINC001327925905	917053582	/nfs/dbraw/zinc/05/35/82/917053582.db2.gz	PTOWOLMCDUTJLJ-UHFFFAOYSA-N	-1	1	307.310	-1.860	20	0		DAADMM
C[C@H]1C[C@@H](NC(=O)CC(N)=O)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001328247624	917074096	/nfs/dbraw/zinc/07/40/96/917074096.db2.gz	ZMIMUUAKIBRYTQ-IUCAKERBSA-N	-1	1	310.358	-1.547	20	0		DAADMM
CC(C)N1CC(CCO)(NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001329706396	917191558	/nfs/dbraw/zinc/19/15/58/917191558.db2.gz	XEXBPVQKYKHYEM-UHFFFAOYSA-N	-1	1	324.381	-1.112	20	0		DAADMM
CN(CCOCCNC(=O)c1cocn1)Cc1nc(=O)n(C)[n-]1	ZINC001331102793	917281196	/nfs/dbraw/zinc/28/11/96/917281196.db2.gz	OVBAHSFVIAMAQW-UHFFFAOYSA-N	-1	1	324.341	-1.025	20	0		DAADMM
CN1CC[C@@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)CC1=O	ZINC001331521782	917296656	/nfs/dbraw/zinc/29/66/56/917296656.db2.gz	YNFMRPODFPAKHG-SNVBAGLBSA-N	-1	1	308.338	-1.089	20	0		DAADMM
CN1C(=O)CN(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)C1=O	ZINC001331505367	917297109	/nfs/dbraw/zinc/29/71/09/917297109.db2.gz	UOIAZOHYKUIMCD-QMMMGPOBSA-N	-1	1	307.314	-1.200	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCO[C@@H]2COCC[C@@H]21	ZINC001333555683	917448399	/nfs/dbraw/zinc/44/83/99/917448399.db2.gz	NIIUNYUBQIQZTR-WDEREUQCSA-N	-1	1	309.322	-1.057	20	0		DAADMM
CN1C(=O)CN(CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1=O	ZINC001334973588	917514651	/nfs/dbraw/zinc/51/46/51/917514651.db2.gz	URQDIDIZGIWSAD-ZETCQYMHSA-N	-1	1	309.286	-2.006	20	0		DAADMM
CO[N-]C(=O)CNC(=O)C(=O)N1CCN(C2CCCC2)CC1	ZINC001336298939	917577018	/nfs/dbraw/zinc/57/70/18/917577018.db2.gz	CETJNOBPTBJODY-UHFFFAOYSA-N	-1	1	312.370	-1.133	20	0		DAADMM
O=C(CN1C(=O)NC2(CCCC2)C1=O)NN1CC(=O)[N-]C1=O	ZINC001337326687	917615834	/nfs/dbraw/zinc/61/58/34/917615834.db2.gz	CLXSDKJHTLGMQH-UHFFFAOYSA-N	-1	1	309.282	-1.566	20	0		DAADMM
CO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1CCN1C(C)(C)C	ZINC001342029192	917775631	/nfs/dbraw/zinc/77/56/31/917775631.db2.gz	DRQULRSLDWUTAV-SECBINFHSA-N	-1	1	300.359	-1.231	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCN2C(=O)N=NC2C1	ZINC001343297901	917803565	/nfs/dbraw/zinc/80/35/65/917803565.db2.gz	AYGXGBYMDWWPLB-UHFFFAOYSA-N	-1	1	306.282	-1.734	20	0		DAADMM
C[C@@H](CN1CCOCC1)N(C)C(=O)[C@@]1(C(=O)[O-])CNCCO1	ZINC001343879898	917813861	/nfs/dbraw/zinc/81/38/61/917813861.db2.gz	RQLIBZZJTQEDMT-SMDDNHRTSA-N	-1	1	315.370	-1.391	20	0		DAADMM
C[C@H](CN1CCOCC1)N(C)C(=O)[C@]1(C(=O)[O-])CNCCO1	ZINC001343879897	917814114	/nfs/dbraw/zinc/81/41/14/917814114.db2.gz	RQLIBZZJTQEDMT-RISCZKNCSA-N	-1	1	315.370	-1.391	20	0		DAADMM
NC(=O)c1csc(CNC(=O)CCn2cc[n-]c(=O)c2=O)n1	ZINC001347865358	917927487	/nfs/dbraw/zinc/92/74/87/917927487.db2.gz	KWJTZUFXKYTCBG-UHFFFAOYSA-N	-1	1	323.334	-1.202	20	0		DAADMM
COCC(=O)NCCC(=O)NCCNC(=O)c1ncccc1[O-]	ZINC001348838762	917971774	/nfs/dbraw/zinc/97/17/74/917971774.db2.gz	MBIFERAPCRQTDI-UHFFFAOYSA-N	-1	1	324.337	-1.214	20	0		DAADMM
COC(=O)COCCNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC	ZINC001351642418	918102951	/nfs/dbraw/zinc/10/29/51/918102951.db2.gz	RSSOFGVEOUYCLQ-UHFFFAOYSA-N	-1	1	301.255	-1.184	20	0		DAADMM
O=C([O-])[C@]1(C(=O)N2CCN(CC(F)F)CC2)CNCCO1	ZINC001353519270	918153710	/nfs/dbraw/zinc/15/37/10/918153710.db2.gz	XUPPQPWYLSGWLP-GFCCVEGCSA-N	-1	1	307.297	-1.161	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NC1CN(C(=O)C(F)F)C1	ZINC001356776711	918246013	/nfs/dbraw/zinc/24/60/13/918246013.db2.gz	ATHVLCOXDZECMA-UHFFFAOYSA-N	-1	1	316.264	-1.481	20	0		DAADMM
NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cnncc2[O-])C1	ZINC001361655541	918390004	/nfs/dbraw/zinc/39/00/04/918390004.db2.gz	NFQDPUFSWADAMB-MRVPVSSYSA-N	-1	1	315.355	-1.173	20	0		DAADMM
O=C(CCCc1nn[n-]n1)NCCN1CCS(=O)(=O)CC1	ZINC001361743917	918399031	/nfs/dbraw/zinc/39/90/31/918399031.db2.gz	JIYOSCXPTVNQEU-UHFFFAOYSA-N	-1	1	316.387	-1.631	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCS(=O)(=O)C1	ZINC001361896924	918419701	/nfs/dbraw/zinc/41/97/01/918419701.db2.gz	FWOHNJJOBMCHPL-YFKPBYRVSA-N	-1	1	303.296	-1.187	20	0		DAADMM
O=C([C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001361921015	918424091	/nfs/dbraw/zinc/42/40/91/918424091.db2.gz	CMFFEFDSSWWFHV-HTQZYQBOSA-N	-1	1	301.328	-1.466	20	0		DAADMM
O=C(COCC(=O)NCc1cccnc1)NCc1nn[n-]n1	ZINC001362057001	918447091	/nfs/dbraw/zinc/44/70/91/918447091.db2.gz	BBAYCCJRYYAILL-UHFFFAOYSA-N	-1	1	305.298	-1.456	20	0		DAADMM
O=C([C@H]1CCS(=O)(=O)N1)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001362087849	918455599	/nfs/dbraw/zinc/45/55/99/918455599.db2.gz	GNSXPVOOIOODFB-RNFRBKRXSA-N	-1	1	302.316	-2.209	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCS(=O)(=O)CC1	ZINC001362209092	918477255	/nfs/dbraw/zinc/47/72/55/918477255.db2.gz	YRFFYRSVSKMFSU-UHFFFAOYSA-N	-1	1	303.296	-1.233	20	0		DAADMM
CS(=O)(=O)N1CC[C@H](CNC(=O)CCc2nn[n-]n2)C1	ZINC001362225160	918481138	/nfs/dbraw/zinc/48/11/38/918481138.db2.gz	OEJBIILNHFGCFK-MRVPVSSYSA-N	-1	1	302.360	-1.470	20	0		DAADMM
COC(=O)[C@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CCO1	ZINC001362240357	918483092	/nfs/dbraw/zinc/48/30/92/918483092.db2.gz	TXOPCSFPUDVFOC-ZCFIWIBFSA-N	-1	1	313.266	-1.090	20	0		DAADMM
Cn1cc(N2CC[C@@H](NC(=O)CCc3nn[n-]n3)C2=O)cn1	ZINC001362325272	918498840	/nfs/dbraw/zinc/49/88/40/918498840.db2.gz	HJXPEJZULUUHCW-SECBINFHSA-N	-1	1	304.314	-1.213	20	0		DAADMM
O=C([C@H]1CCS(=O)(=O)N1)N1CCSC[C@H]1c1nn[n-]n1	ZINC001362370365	918506559	/nfs/dbraw/zinc/50/65/59/918506559.db2.gz	VYYVBEGJSLGWPW-RQJHMYQMSA-N	-1	1	318.384	-1.492	20	0		DAADMM
COC(=O)[C@H]1COCCN1C(=O)c1[nH]c(=O)[n-]c(=O)c1OC	ZINC001362379112	918508433	/nfs/dbraw/zinc/50/84/33/918508433.db2.gz	NLWZRNVULJCVFY-ZCFIWIBFSA-N	-1	1	313.266	-1.090	20	0		DAADMM
COC(=O)[C@@H]1COCCN1C(=O)c1[nH]c(=O)[n-]c(=O)c1OC	ZINC001362379110	918508562	/nfs/dbraw/zinc/50/85/62/918508562.db2.gz	NLWZRNVULJCVFY-LURJTMIESA-N	-1	1	313.266	-1.090	20	0		DAADMM
O=C(CN1CCNC(=O)C1)N1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC001362376429	918509372	/nfs/dbraw/zinc/50/93/72/918509372.db2.gz	QXZTWCBRQGJJFP-VIFPVBQESA-N	-1	1	309.326	-1.087	20	0		DAADMM
C[C@H](CN(C)C(=O)C1CN(S(C)(=O)=O)C1)c1nn[n-]n1	ZINC001362490755	918533511	/nfs/dbraw/zinc/53/35/11/918533511.db2.gz	SWDFRMMWOZHGRC-SSDOTTSWSA-N	-1	1	302.360	-1.347	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CN(C)NC2=O)co1	ZINC001362559529	918550474	/nfs/dbraw/zinc/55/04/74/918550474.db2.gz	VDCDFXDBEHYCFH-ZETCQYMHSA-N	-1	1	302.312	-1.737	20	0		DAADMM
CS(=O)(=O)NCCC(=O)N1CCSC[C@H]1c1nn[n-]n1	ZINC001362688734	918577481	/nfs/dbraw/zinc/57/74/81/918577481.db2.gz	VQXZHPNBKHLUCQ-ZETCQYMHSA-N	-1	1	320.400	-1.245	20	0		DAADMM
COC[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C(=O)OC	ZINC001362704511	918581688	/nfs/dbraw/zinc/58/16/88/918581688.db2.gz	VOTGXTWUJOGRTI-RXMQYKEDSA-N	-1	1	301.255	-1.186	20	0		DAADMM
O=C([C@H]1CCS(=O)(=O)C1)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001362721265	918587247	/nfs/dbraw/zinc/58/72/47/918587247.db2.gz	ANETXHPUNCAWTA-QMMMGPOBSA-N	-1	1	315.355	-1.556	20	0		DAADMM
O=C([C@@H]1CSCC(=O)N1)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001362733633	918593000	/nfs/dbraw/zinc/59/30/00/918593000.db2.gz	YARLTUYUYFVALQ-ZETCQYMHSA-N	-1	1	312.355	-1.759	20	0		DAADMM
O=C([C@H]1CCS(=O)(=O)C1)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001362747332	918595481	/nfs/dbraw/zinc/59/54/81/918595481.db2.gz	IBTOPHVTJYEZJR-JGVFFNPUSA-N	-1	1	301.328	-1.466	20	0		DAADMM
Cn1cnn(CC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c1=O	ZINC001362809366	918614648	/nfs/dbraw/zinc/61/46/48/918614648.db2.gz	QIGNOMDMVSYFPB-UHFFFAOYSA-N	-1	1	320.309	-1.534	20	0		DAADMM
Cn1cc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)c(=O)n(C)c1=O	ZINC001362824783	918615565	/nfs/dbraw/zinc/61/55/65/918615565.db2.gz	ZNBSDNQLWRLESO-SSDOTTSWSA-N	-1	1	305.298	-1.773	20	0		DAADMM
CNS(=O)(=O)NC1CCN(C(=O)CCc2nn[n-]n2)CC1	ZINC001362821613	918616785	/nfs/dbraw/zinc/61/67/85/918616785.db2.gz	YJHGYQOCUHCNLA-UHFFFAOYSA-N	-1	1	317.375	-1.823	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCC2N=NC(=O)N2C)o1	ZINC001362856761	918627361	/nfs/dbraw/zinc/62/73/61/918627361.db2.gz	WDOXPWCYTJUTLW-UHFFFAOYSA-N	-1	1	315.311	-1.048	20	0		DAADMM
Cn1ncnc1C1(O)CCN(C(=O)CCc2nn[n-]n2)CC1	ZINC001362857334	918628028	/nfs/dbraw/zinc/62/80/28/918628028.db2.gz	IPJUZXMDXVECRL-UHFFFAOYSA-N	-1	1	306.330	-1.229	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CC(CO)(CO)C2)o1	ZINC001362874799	918632896	/nfs/dbraw/zinc/63/28/96/918632896.db2.gz	PPWJYNIKEDKIPS-UHFFFAOYSA-N	-1	1	304.324	-1.386	20	0		DAADMM
CNC(=O)[C@@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CCO1	ZINC001362889636	918634511	/nfs/dbraw/zinc/63/45/11/918634511.db2.gz	MPZFPGCNMNFYKF-LURJTMIESA-N	-1	1	312.282	-1.517	20	0		DAADMM
CN1C[C@@H](O)C[C@]1(C)C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC001362898563	918637648	/nfs/dbraw/zinc/63/76/48/918637648.db2.gz	IMYBTFNXTCNFHD-GZMMTYOYSA-N	-1	1	307.372	-1.976	20	0		DAADMM
CN1C[C@@H](O)C[C@@]1(C)C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC001362898572	918638469	/nfs/dbraw/zinc/63/84/69/918638469.db2.gz	IMYBTFNXTCNFHD-KWQFWETISA-N	-1	1	307.372	-1.976	20	0		DAADMM
CO[C@@]1(CNC(=O)CCc2nn[n-]n2)CCS(=O)(=O)C1	ZINC001362944608	918651491	/nfs/dbraw/zinc/65/14/91/918651491.db2.gz	GTFCMSIJKKYAEO-SNVBAGLBSA-N	-1	1	303.344	-1.548	20	0		DAADMM
O=C([C@H]1CCNC(=O)CC1)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001363026921	918674268	/nfs/dbraw/zinc/67/42/68/918674268.db2.gz	GSIGWWWRVDHOBX-SECBINFHSA-N	-1	1	308.342	-1.074	20	0		DAADMM
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCCc1nn[n-]n1	ZINC001363047026	918676916	/nfs/dbraw/zinc/67/69/16/918676916.db2.gz	IRVQZWOFBGOTTJ-JGVFFNPUSA-N	-1	1	303.344	-1.549	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H](CCO)[C@H](CO)C1	ZINC001363085179	918689658	/nfs/dbraw/zinc/68/96/58/918689658.db2.gz	OOVAKMBZLYWCSK-YUMQZZPRSA-N	-1	1	313.310	-1.041	20	0		DAADMM
NC(=O)C[C@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])CCO1	ZINC001363091859	918690452	/nfs/dbraw/zinc/69/04/52/918690452.db2.gz	LYIURNNTPKDIDY-VIFPVBQESA-N	-1	1	322.321	-1.380	20	0		DAADMM
CS(=O)(=O)CCCC(=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001363115898	918696689	/nfs/dbraw/zinc/69/66/89/918696689.db2.gz	HBZTUCZVPSATQY-QMMMGPOBSA-N	-1	1	303.344	-1.076	20	0		DAADMM
Cn1c(=O)ccn(CC(=O)N2CC[C@H](c3nn[n-]n3)C2)c1=O	ZINC001363216037	918725807	/nfs/dbraw/zinc/72/58/07/918725807.db2.gz	GHKLWGJNRQYSCC-QMMMGPOBSA-N	-1	1	305.298	-1.924	20	0		DAADMM
CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@H](c2nn[n-]n2)C1	ZINC001363220112	918728324	/nfs/dbraw/zinc/72/83/24/918728324.db2.gz	SFLCSLVYOPAKOB-QMMMGPOBSA-N	-1	1	317.375	-1.746	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](O)[C@H](CO)C2)o1	ZINC001363251675	918737235	/nfs/dbraw/zinc/73/72/35/918737235.db2.gz	VOTCKBFTHGLJAA-YUMQZZPRSA-N	-1	1	304.324	-1.387	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](O)[C@@H](CO)C2)o1	ZINC001363251670	918737457	/nfs/dbraw/zinc/73/74/57/918737457.db2.gz	VOTCKBFTHGLJAA-SFYZADRCSA-N	-1	1	304.324	-1.387	20	0		DAADMM
O=C(CCCc1nn[n-]n1)NC[C@]12COCCN1C(=O)COC2	ZINC001363261349	918740305	/nfs/dbraw/zinc/74/03/05/918740305.db2.gz	ZHBKGRKLKFVICC-CYBMUJFWSA-N	-1	1	324.341	-1.734	20	0		DAADMM
COCCN1C[C@H](C(=O)NCc2nc([O-])cc(=O)[nH]2)CC1=O	ZINC001363323999	918759002	/nfs/dbraw/zinc/75/90/02/918759002.db2.gz	MQGCCANPOCYNQZ-MRVPVSSYSA-N	-1	1	310.310	-1.001	20	0		DAADMM
CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1	ZINC001363437180	918786835	/nfs/dbraw/zinc/78/68/35/918786835.db2.gz	UAFDCSQRFDZYMI-JTQLQIEISA-N	-1	1	323.357	-1.767	20	0		DAADMM
COC[C@@H](NC(=O)CCC(=O)N1CCOCC1)c1nn[n-]n1	ZINC001363438543	918788075	/nfs/dbraw/zinc/78/80/75/918788075.db2.gz	TZIPJCDJAWICHT-SECBINFHSA-N	-1	1	312.330	-1.358	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])NCCN1CCNC1=O	ZINC001363515517	918809132	/nfs/dbraw/zinc/80/91/32/918809132.db2.gz	UTNZYNIDMQSOCW-UHFFFAOYSA-N	-1	1	307.310	-1.342	20	0		DAADMM
C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(c2nn[n-]n2)CC1	ZINC001363518506	918812044	/nfs/dbraw/zinc/81/20/44/918812044.db2.gz	GJJTZHXUAACEDF-SSDOTTSWSA-N	-1	1	302.360	-1.157	20	0		DAADMM
C[C@H](NS(C)(=O)=O)C(=O)N1CCC(c2nn[n-]n2)CC1	ZINC001363518509	918814048	/nfs/dbraw/zinc/81/40/48/918814048.db2.gz	GJJTZHXUAACEDF-ZETCQYMHSA-N	-1	1	302.360	-1.157	20	0		DAADMM
CN1CCN(C(=O)CNC(=O)c2ncccc2[O-])C[C@@H]1CO	ZINC001363555645	918826958	/nfs/dbraw/zinc/82/69/58/918826958.db2.gz	FNVQFOCZCADHNX-SNVBAGLBSA-N	-1	1	308.338	-1.348	20	0		DAADMM
COC[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)c1nn[n-]n1	ZINC001363592987	918837276	/nfs/dbraw/zinc/83/72/76/918837276.db2.gz	VYVSJYBQHBEHNU-MRVPVSSYSA-N	-1	1	318.359	-2.266	20	0		DAADMM
O=C(CCCc1nn[n-]n1)N1CCN2CCOC[C@]2(CO)C1	ZINC001363625481	918843388	/nfs/dbraw/zinc/84/33/88/918843388.db2.gz	PFHFJDIUWUJNLB-CYBMUJFWSA-N	-1	1	310.358	-1.572	20	0		DAADMM
COC(=O)[C@@H](O)CCNC(=O)CNC(=O)c1ncccc1[O-]	ZINC001363694663	918859324	/nfs/dbraw/zinc/85/93/24/918859324.db2.gz	UNNFIMQBUMGYNP-VIFPVBQESA-N	-1	1	311.294	-1.443	20	0		DAADMM
CN1C[C@@H](C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)NC1=O	ZINC001363690114	918859933	/nfs/dbraw/zinc/85/99/33/918859933.db2.gz	PYIUKWHUGFWBED-VIFPVBQESA-N	-1	1	307.310	-1.105	20	0		DAADMM
CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](c2nn[n-]n2)C1	ZINC001363719973	918864509	/nfs/dbraw/zinc/86/45/09/918864509.db2.gz	KHTSGYCMDLYXLS-BDAKNGLRSA-N	-1	1	314.371	-1.060	20	0		DAADMM
COC(=O)C1([N-]S(=O)(=O)CCS(=O)(=O)N(C)C)CC1	ZINC001363844143	918892754	/nfs/dbraw/zinc/89/27/54/918892754.db2.gz	YPDDGCVTLLWERW-UHFFFAOYSA-N	-1	1	314.385	-1.497	20	0		DAADMM
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]CC1(O)CCOCC1	ZINC001363847657	918895493	/nfs/dbraw/zinc/89/54/93/918895493.db2.gz	AIABJLXKZCEVJO-GOSISDBHSA-N	-1	1	315.417	-1.063	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCc2cnn(C)n2)[n-]n1	ZINC001363910131	918902806	/nfs/dbraw/zinc/90/28/06/918902806.db2.gz	WJNZXWJIFLJBGU-UHFFFAOYSA-N	-1	1	300.300	-1.197	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCc2cnn(C)n2)n[n-]1	ZINC001363910131	918902819	/nfs/dbraw/zinc/90/28/19/918902819.db2.gz	WJNZXWJIFLJBGU-UHFFFAOYSA-N	-1	1	300.300	-1.197	20	0		DAADMM
COC(=O)[C@@H]1OCC[C@@H]1NC(=O)CNC(=O)c1ncccc1[O-]	ZINC001363890080	918904657	/nfs/dbraw/zinc/90/46/57/918904657.db2.gz	DGJXBQMZCPIYFX-QPUJVOFHSA-N	-1	1	323.305	-1.036	20	0		DAADMM
CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC001363917305	918907350	/nfs/dbraw/zinc/90/73/50/918907350.db2.gz	GSRKBYSWRQLLFW-ZETCQYMHSA-N	-1	1	318.355	-2.113	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2C[C@H](O)C2(C)C)c(=O)[nH]c1=O	ZINC001363988376	918922300	/nfs/dbraw/zinc/92/23/00/918922300.db2.gz	MQUUAGMEMVBNBV-SFYZADRCSA-N	-1	1	303.340	-1.076	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2C[C@H](O)C2(C)C)c(=O)[nH]c1=O	ZINC001363988378	918922326	/nfs/dbraw/zinc/92/23/26/918922326.db2.gz	MQUUAGMEMVBNBV-YUMQZZPRSA-N	-1	1	303.340	-1.076	20	0		DAADMM
COC[C@@H](NC(=O)C1CCS(=O)(=O)CC1)c1nn[n-]n1	ZINC001364017632	918928350	/nfs/dbraw/zinc/92/83/50/918928350.db2.gz	AXOCPDXYYUHKBQ-MRVPVSSYSA-N	-1	1	303.344	-1.172	20	0		DAADMM
CC(C)(C[N-]S(=O)(=O)N=S(C)(C)=O)CS(N)(=O)=O	ZINC001364019209	918931700	/nfs/dbraw/zinc/93/17/00/918931700.db2.gz	BLGKTJGKCWSFLL-UHFFFAOYSA-N	-1	1	321.446	-1.137	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2COCC[C@H]2O)c(=O)[nH]c1=O	ZINC001364039513	918933383	/nfs/dbraw/zinc/93/33/83/918933383.db2.gz	DCMPJGHGFPNLNS-RNFRBKRXSA-N	-1	1	305.312	-2.086	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@@H](O)C[C@@]2(C)CO)[n-]n1	ZINC001364037730	918934927	/nfs/dbraw/zinc/93/49/27/918934927.db2.gz	JJWLUMWUEGHHIJ-CPCISQLKSA-N	-1	1	319.339	-1.297	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@@H](O)C[C@@]2(C)CO)n[n-]1	ZINC001364037730	918934935	/nfs/dbraw/zinc/93/49/35/918934935.db2.gz	JJWLUMWUEGHHIJ-CPCISQLKSA-N	-1	1	319.339	-1.297	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H](CO)C2CCC2)c(=O)[nH]c1=O	ZINC001364036047	918935036	/nfs/dbraw/zinc/93/50/36/918935036.db2.gz	ZCXUESDWTAVWLD-QMMMGPOBSA-N	-1	1	303.340	-1.075	20	0		DAADMM
Cc1conc1CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1O	ZINC001364050262	918938269	/nfs/dbraw/zinc/93/82/69/918938269.db2.gz	FQSSXMSCJXYDRN-RKDXNWHRSA-N	-1	1	310.353	-1.440	20	0		DAADMM
COC(=O)[C@@H](F)C[N-]S(=O)(=O)CCS(=O)(=O)N(C)C	ZINC001364047968	918938871	/nfs/dbraw/zinc/93/88/71/918938871.db2.gz	HVGBGWSYEIXJSG-ZETCQYMHSA-N	-1	1	320.364	-1.692	20	0		DAADMM
CCOC(=O)c1nc(CNC(=O)[C@@H]2CSCC(=O)N2)n[n-]1	ZINC001364085128	918946028	/nfs/dbraw/zinc/94/60/28/918946028.db2.gz	STNFVVATTLDNNN-LURJTMIESA-N	-1	1	313.339	-1.171	20	0		DAADMM
CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CSCC(=O)N2)n1	ZINC001364085128	918946044	/nfs/dbraw/zinc/94/60/44/918946044.db2.gz	STNFVVATTLDNNN-LURJTMIESA-N	-1	1	313.339	-1.171	20	0		DAADMM
C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)c1nnnn1C	ZINC001364154422	918954965	/nfs/dbraw/zinc/95/49/65/918954965.db2.gz	OBUCXBZDELHQDM-AHGSNSTDSA-N	-1	1	311.393	-1.320	20	0		DAADMM
CN(C(=O)c1cnn2c1S(=O)(=O)N(C)CC2)c1nn[n-]n1	ZINC001364189272	918959456	/nfs/dbraw/zinc/95/94/56/918959456.db2.gz	BVVXDQGKPMTTMA-UHFFFAOYSA-N	-1	1	312.315	-1.693	20	0		DAADMM
NC(=O)N1CCC[C@@H](C(=O)N2CCOC[C@H]2c2nn[n-]n2)C1	ZINC001364382242	919002246	/nfs/dbraw/zinc/00/22/46/919002246.db2.gz	AVEDCNDXBGCHCT-BDAKNGLRSA-N	-1	1	309.330	-1.110	20	0		DAADMM
O=C(CN1CCCS1(=O)=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001364383573	919003908	/nfs/dbraw/zinc/00/39/08/919003908.db2.gz	QWSODYWLUICVKR-MRVPVSSYSA-N	-1	1	316.343	-1.865	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N1C[C@H](CO)[C@@H](CCO)C1	ZINC001364453299	919015434	/nfs/dbraw/zinc/01/54/34/919015434.db2.gz	NRKQOYNQDMCHDW-WDEREUQCSA-N	-1	1	323.349	-1.034	20	0		DAADMM
CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@H](c2nn[n-]n2)C1	ZINC001364566320	919033524	/nfs/dbraw/zinc/03/35/24/919033524.db2.gz	BSAQFBSQSPGLKN-ZETCQYMHSA-N	-1	1	302.360	-1.157	20	0		DAADMM
COCCS(=O)(=O)CC(=O)NC1(c2nn[n-]n2)CCC1	ZINC001364664003	919048712	/nfs/dbraw/zinc/04/87/12/919048712.db2.gz	RSHYKMXJQPSWCD-UHFFFAOYSA-N	-1	1	303.344	-1.244	20	0		DAADMM
CS(=O)(=O)NC[C@H]1CCN(C(=O)CCc2nn[n-]n2)C1	ZINC001364718176	919056078	/nfs/dbraw/zinc/05/60/78/919056078.db2.gz	NPFPRXLJVFEATQ-MRVPVSSYSA-N	-1	1	302.360	-1.470	20	0		DAADMM
CS(=O)(=O)NC[C@@H]1CCN(C(=O)CCc2nn[n-]n2)C1	ZINC001364718177	919056922	/nfs/dbraw/zinc/05/69/22/919056922.db2.gz	NPFPRXLJVFEATQ-QMMMGPOBSA-N	-1	1	302.360	-1.470	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(CCO)CCCO)[n-]n1	ZINC001364783262	919064403	/nfs/dbraw/zinc/06/44/03/919064403.db2.gz	GXFKGYZSFVBLRY-UHFFFAOYSA-N	-1	1	307.328	-1.438	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(CCO)CCCO)n[n-]1	ZINC001364783262	919064417	/nfs/dbraw/zinc/06/44/17/919064417.db2.gz	GXFKGYZSFVBLRY-UHFFFAOYSA-N	-1	1	307.328	-1.438	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@](C)(O)C2CC2)c(=O)[nH]c1=O	ZINC001364779784	919065852	/nfs/dbraw/zinc/06/58/52/919065852.db2.gz	JWFPCXOSQOQUKN-NSHDSACASA-N	-1	1	303.340	-1.075	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC(=O)N2CCCC2)c(=O)[nH]c1=O	ZINC001364796812	919067755	/nfs/dbraw/zinc/06/77/55/919067755.db2.gz	DCPREMCVVCIYEG-UHFFFAOYSA-N	-1	1	316.339	-1.613	20	0		DAADMM
CCOC(=O)[C@H](C)C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001364793020	919068121	/nfs/dbraw/zinc/06/81/21/919068121.db2.gz	IJEHVWNREOBDEX-SSDOTTSWSA-N	-1	1	319.339	-1.037	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCn3ncnc3C2)[n-]n1	ZINC001364823201	919073605	/nfs/dbraw/zinc/07/36/05/919073605.db2.gz	ITWACAGGWWUJJD-UHFFFAOYSA-N	-1	1	312.311	-1.008	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCn3ncnc3C2)n[n-]1	ZINC001364823201	919073619	/nfs/dbraw/zinc/07/36/19/919073619.db2.gz	ITWACAGGWWUJJD-UHFFFAOYSA-N	-1	1	312.311	-1.008	20	0		DAADMM
COCCN1C[C@@H](C(=O)N[C@@H](COC)c2nn[n-]n2)CC1=O	ZINC001364816528	919074912	/nfs/dbraw/zinc/07/49/12/919074912.db2.gz	WISAOSFKQQLZQD-IUCAKERBSA-N	-1	1	312.330	-1.502	20	0		DAADMM
O=C([C@H]1CCS(=O)(=O)N1)N1CCC[C@H](Cc2nn[n-]n2)C1	ZINC001364818103	919075421	/nfs/dbraw/zinc/07/54/21/919075421.db2.gz	HVHIMUQILYMHIA-RKDXNWHRSA-N	-1	1	314.371	-1.328	20	0		DAADMM
COC(=O)CNC(=O)C[N-]S(=O)(=O)c1csnc1OC	ZINC001364825397	919078156	/nfs/dbraw/zinc/07/81/56/919078156.db2.gz	BAYPEPAOGGQPDS-UHFFFAOYSA-N	-1	1	323.352	-1.281	20	0		DAADMM
COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001364829286	919078417	/nfs/dbraw/zinc/07/84/17/919078417.db2.gz	FIIQBWPQZOOJSJ-SSDOTTSWSA-N	-1	1	304.328	-2.120	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@H]2CC[C@H](O)C2)c(=O)[nH]c1=O	ZINC001364855097	919082084	/nfs/dbraw/zinc/08/20/84/919082084.db2.gz	JBQKPBXOSMDBOK-YUMQZZPRSA-N	-1	1	303.340	-1.075	20	0		DAADMM
CCOC1(CS(=O)(=O)[N-][C@@H](CO)C(N)=O)CCOCC1	ZINC001364859062	919082948	/nfs/dbraw/zinc/08/29/48/919082948.db2.gz	KOUGLTOSIWABAR-VIFPVBQESA-N	-1	1	310.372	-1.662	20	0		DAADMM
CNC(=O)[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(C)C	ZINC001364857041	919084166	/nfs/dbraw/zinc/08/41/66/919084166.db2.gz	GWOKZNJSEUMIPQ-QMMMGPOBSA-N	-1	1	318.355	-1.465	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2CCNC(=O)CC2)c(=O)[nH]c1=O	ZINC001364868300	919084916	/nfs/dbraw/zinc/08/49/16/919084916.db2.gz	CASWTPUQTMZKRZ-SSDOTTSWSA-N	-1	1	316.339	-1.567	20	0		DAADMM
CN(C)C1(CNS(=O)(=O)c2cn(C)c(=O)[nH]c2=O)CC1	ZINC001364868762	919084999	/nfs/dbraw/zinc/08/49/99/919084999.db2.gz	CIJPEEOFZPTVAV-UHFFFAOYSA-N	-1	1	302.356	-1.142	20	0		DAADMM
CNC(=O)C[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)n[n-]1	ZINC001364865159	919086732	/nfs/dbraw/zinc/08/67/32/919086732.db2.gz	NNVJAHFJMBNACG-ZCFIWIBFSA-N	-1	1	304.328	-1.001	20	0		DAADMM
CNC(=O)C[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)[n-]n1	ZINC001364865159	919086751	/nfs/dbraw/zinc/08/67/51/919086751.db2.gz	NNVJAHFJMBNACG-ZCFIWIBFSA-N	-1	1	304.328	-1.001	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2C(=O)OCC2(C)C)c(=O)[nH]c1=O	ZINC001364883373	919090178	/nfs/dbraw/zinc/09/01/78/919090178.db2.gz	GNQGXIYOWRYRPA-ZETCQYMHSA-N	-1	1	317.323	-1.284	20	0		DAADMM
COC(=O)C1(CS(=O)(=O)[N-][C@]2(C(N)=O)CCOC2)CC1	ZINC001364893995	919091689	/nfs/dbraw/zinc/09/16/89/919091689.db2.gz	STQGAVJYFQGQNL-LLVKDONJSA-N	-1	1	306.340	-1.497	20	0		DAADMM
CN1CCO[C@H](CS(=O)(=O)[N-][C@@]2(C(N)=O)CCOC2)C1	ZINC001364892810	919092189	/nfs/dbraw/zinc/09/21/89/919092189.db2.gz	CNOUMNZVKCWHAB-ONGXEEELSA-N	-1	1	307.372	-2.119	20	0		DAADMM
Cc1noc([C@@H]2OCC[C@@H]2[N-]S(=O)(=O)[C@@H]2COC[C@H]2O)n1	ZINC001364896477	919092907	/nfs/dbraw/zinc/09/29/07/919092907.db2.gz	CEWGZVJLKXBCIR-SGIHWFKDSA-N	-1	1	319.339	-1.113	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1COCCN1C	ZINC001364902051	919093785	/nfs/dbraw/zinc/09/37/85/919093785.db2.gz	WUILQFJFSMFCAM-MRVPVSSYSA-N	-1	1	318.355	-1.195	20	0		DAADMM
O=S(=O)(C[C@@H]1CCCCO1)[N-][C@@H]1CS(=O)(=O)C[C@H]1O	ZINC001364902331	919094643	/nfs/dbraw/zinc/09/46/43/919094643.db2.gz	YBNZYOGHTJCAOH-IVZWLZJFSA-N	-1	1	313.397	-1.367	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1COCCN1C	ZINC001364902053	919095655	/nfs/dbraw/zinc/09/56/55/919095655.db2.gz	WUILQFJFSMFCAM-QMMMGPOBSA-N	-1	1	318.355	-1.195	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCOC[C@H]1O	ZINC001364915123	919096999	/nfs/dbraw/zinc/09/69/99/919096999.db2.gz	NMPWZAHEIUMSQD-HTQZYQBOSA-N	-1	1	305.312	-1.376	20	0		DAADMM
COC(=O)[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001364916961	919097683	/nfs/dbraw/zinc/09/76/83/919097683.db2.gz	RMTJLEDECDZWMH-RNFRBKRXSA-N	-1	1	317.323	-1.427	20	0		DAADMM
Cc1nonc1C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001364932822	919100695	/nfs/dbraw/zinc/10/06/95/919100695.db2.gz	OWHJPEJVPSDLFG-UHFFFAOYSA-N	-1	1	301.284	-1.344	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCN2CCNC2=O)c(=O)[nH]c1=O	ZINC001364965442	919109172	/nfs/dbraw/zinc/10/91/72/919109172.db2.gz	VVWOKYYSWDNEID-UHFFFAOYSA-N	-1	1	317.327	-2.211	20	0		DAADMM
Cn1cnc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1	ZINC001365006104	919115910	/nfs/dbraw/zinc/11/59/10/919115910.db2.gz	QVJUSKOQDGZFMS-UHFFFAOYSA-N	-1	1	313.339	-1.704	20	0		DAADMM
COC(=O)[C@]1([N-]S(=O)(=O)N2CCN(C)CC2)CCOC1	ZINC001365131065	919127750	/nfs/dbraw/zinc/12/77/50/919127750.db2.gz	HFMOOLAGODEBDM-NSHDSACASA-N	-1	1	307.372	-1.600	20	0		DAADMM
COC(=O)c1c(NC(=O)[C@H]2COCCO2)n[n-]c1OCCO	ZINC001365203019	919142260	/nfs/dbraw/zinc/14/22/60/919142260.db2.gz	IUXUJDFJDUCXIM-SSDOTTSWSA-N	-1	1	315.282	-1.079	20	0		DAADMM
COC(=O)c1c(OCCO)n[n-]c1NC(=O)[C@H]1COCCO1	ZINC001365203019	919142273	/nfs/dbraw/zinc/14/22/73/919142273.db2.gz	IUXUJDFJDUCXIM-SSDOTTSWSA-N	-1	1	315.282	-1.079	20	0		DAADMM
COC(=O)C1([N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)CC1	ZINC001365373883	919169533	/nfs/dbraw/zinc/16/95/33/919169533.db2.gz	QBFASAUJIWWUDD-UHFFFAOYSA-N	-1	1	303.296	-1.530	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC(=O)NCC2CC2)c(=O)[nH]c1=O	ZINC001365380528	919169885	/nfs/dbraw/zinc/16/98/85/919169885.db2.gz	MRZIHKYERVSNHV-UHFFFAOYSA-N	-1	1	316.339	-1.710	20	0		DAADMM
CNC(=O)[C@@H](O)C[N-]S(=O)(=O)Cc1noc(C2CC2)n1	ZINC001365381752	919170830	/nfs/dbraw/zinc/17/08/30/919170830.db2.gz	LJHVTFSHBFPLAC-ZETCQYMHSA-N	-1	1	304.328	-1.527	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)[n-]n1	ZINC001365416902	919179787	/nfs/dbraw/zinc/17/97/87/919179787.db2.gz	IMBDRNNMDMXQJO-SVRRBLITSA-N	-1	1	305.312	-1.830	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)n[n-]1	ZINC001365416902	919179796	/nfs/dbraw/zinc/17/97/96/919179796.db2.gz	IMBDRNNMDMXQJO-SVRRBLITSA-N	-1	1	305.312	-1.830	20	0		DAADMM
COC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(C(=O)OC)n[n-]1	ZINC001365437308	919184963	/nfs/dbraw/zinc/18/49/63/919184963.db2.gz	QNEBERTWVKAJEU-HTQZYQBOSA-N	-1	1	319.339	-1.033	20	0		DAADMM
COC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(C(=O)OC)[n-]n1	ZINC001365437308	919184971	/nfs/dbraw/zinc/18/49/71/919184971.db2.gz	QNEBERTWVKAJEU-HTQZYQBOSA-N	-1	1	319.339	-1.033	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCN(C)[C@@H](CO)C2)[n-]n1	ZINC001365464790	919193760	/nfs/dbraw/zinc/19/37/60/919193760.db2.gz	XQAVQNOPFXKRGV-MRVPVSSYSA-N	-1	1	318.355	-1.507	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCN(C)[C@@H](CO)C2)n[n-]1	ZINC001365464790	919193775	/nfs/dbraw/zinc/19/37/75/919193775.db2.gz	XQAVQNOPFXKRGV-MRVPVSSYSA-N	-1	1	318.355	-1.507	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](CO)[C@@H]1CCOC1	ZINC001365686211	919217460	/nfs/dbraw/zinc/21/74/60/919217460.db2.gz	AIWJFXXNCWDBKB-VXNVDRBHSA-N	-1	1	319.339	-1.128	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)CN3CCOCC3)CC2)nc1=O	ZINC001365696007	919218070	/nfs/dbraw/zinc/21/80/70/919218070.db2.gz	POAWNSQFIPXADV-UHFFFAOYSA-N	-1	1	324.385	-1.915	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)c3cn[nH]c(=O)c3)CC2)nc1=O	ZINC001365696217	919218975	/nfs/dbraw/zinc/21/89/75/919218975.db2.gz	BEPAGAFAZAQQJX-UHFFFAOYSA-N	-1	1	319.325	-1.438	20	0		DAADMM
CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)CCS(C)(=O)=O	ZINC001365706080	919221864	/nfs/dbraw/zinc/22/18/64/919221864.db2.gz	RYMCSTNGWLPWDV-RKDXNWHRSA-N	-1	1	301.386	-1.246	20	0		DAADMM
CCN1CC[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)C1=O	ZINC001365725341	919226404	/nfs/dbraw/zinc/22/64/04/919226404.db2.gz	ITEBILGZBMBYON-SSDOTTSWSA-N	-1	1	316.339	-1.615	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCN(C)C[C@H]2CO)[n-]n1	ZINC001365721838	919226823	/nfs/dbraw/zinc/22/68/23/919226823.db2.gz	ATPOPHKBXIQUIS-QMMMGPOBSA-N	-1	1	318.355	-1.507	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCN(C)C[C@H]2CO)n[n-]1	ZINC001365721838	919226833	/nfs/dbraw/zinc/22/68/33/919226833.db2.gz	ATPOPHKBXIQUIS-QMMMGPOBSA-N	-1	1	318.355	-1.507	20	0		DAADMM
CCn1cc(C[N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)nn1	ZINC001365720586	919227453	/nfs/dbraw/zinc/22/74/53/919227453.db2.gz	UUWUIMMJXKXIGI-UHFFFAOYSA-N	-1	1	314.327	-1.424	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]Cc2cnoc2)c(=O)n(C)c1=O	ZINC001365725125	919227517	/nfs/dbraw/zinc/22/75/17/919227517.db2.gz	XLMKFSRIGDOBRD-UHFFFAOYSA-N	-1	1	300.296	-1.450	20	0		DAADMM
CCC(=O)NCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C	ZINC001365891569	919245961	/nfs/dbraw/zinc/24/59/61/919245961.db2.gz	USPAPWPPESOINE-ZJUUUORDSA-N	-1	1	324.385	-1.286	20	0		DAADMM
C[C@H](C(=O)NC[C@H](C)NCc1n[nH]c(=O)[n-]1)S(C)(=O)=O	ZINC001366301139	919304513	/nfs/dbraw/zinc/30/45/13/919304513.db2.gz	NTJPSYTXSXBCEE-NKWVEPMBSA-N	-1	1	305.360	-1.462	20	0		DAADMM
C[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001366301157	919304909	/nfs/dbraw/zinc/30/49/09/919304909.db2.gz	NTJPSYTXSXBCEE-RQJHMYQMSA-N	-1	1	305.360	-1.462	20	0		DAADMM
C[C@@H](CNC(=O)C(C)(C)S(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001366334857	919314246	/nfs/dbraw/zinc/31/42/46/919314246.db2.gz	WRSXCYJTVPLPIX-ZETCQYMHSA-N	-1	1	319.387	-1.072	20	0		DAADMM
CC(=O)NCC(=O)NC[C@@H]1CCCN1Cc1nc(=O)n(C)[n-]1	ZINC001366645032	919360913	/nfs/dbraw/zinc/36/09/13/919360913.db2.gz	JJWCXJCELJWWIA-JTQLQIEISA-N	-1	1	310.358	-1.675	20	0		DAADMM
CCN(CCNC(=O)CCNC(N)=O)Cc1nc(=O)n(C)[n-]1	ZINC001366643171	919364462	/nfs/dbraw/zinc/36/44/62/919364462.db2.gz	BANDEAFFIXJOMT-UHFFFAOYSA-N	-1	1	313.362	-1.895	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1	ZINC001366660140	919364720	/nfs/dbraw/zinc/36/47/20/919364720.db2.gz	LRVJBLKZHDHHTA-NXEZZACHSA-N	-1	1	324.385	-1.300	20	0		DAADMM
Cn1nncc1C(=O)NCCN(Cc1nc(=O)n(C)[n-]1)C1CC1	ZINC001366742233	919372017	/nfs/dbraw/zinc/37/20/17/919372017.db2.gz	WVLPQVPVPPKBCB-UHFFFAOYSA-N	-1	1	320.357	-1.369	20	0		DAADMM
Cn1ncc(C(=O)NCCN(Cc2nc(=O)n(C)[n-]2)C2CC2)n1	ZINC001366754587	919376434	/nfs/dbraw/zinc/37/64/34/919376434.db2.gz	KBEKDBKQTQKOBT-UHFFFAOYSA-N	-1	1	320.357	-1.369	20	0		DAADMM
C[C@@H](C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1)n1cncn1	ZINC001366963047	919410156	/nfs/dbraw/zinc/41/01/56/919410156.db2.gz	ODMSWRVOENWSRZ-VIFPVBQESA-N	-1	1	320.357	-1.491	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)CNC(=O)C3CC3)C2)nc1=O	ZINC001367023008	919425361	/nfs/dbraw/zinc/42/53/61/919425361.db2.gz	MOHBYGUQEMNDAC-SNVBAGLBSA-N	-1	1	322.369	-1.675	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)N(C)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001367048579	919432275	/nfs/dbraw/zinc/43/22/75/919432275.db2.gz	HENTYZFGGICJMN-UWVGGRQHSA-N	-1	1	324.385	-1.347	20	0		DAADMM
CC[C@H](CNC(=O)CN1CCOCC1)NCc1n[nH]c(=O)[n-]1	ZINC001367106596	919438346	/nfs/dbraw/zinc/43/83/46/919438346.db2.gz	XCTASCNIBFYIIX-SNVBAGLBSA-N	-1	1	312.374	-1.173	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)c1ccc(=O)n(C)n1	ZINC001367399017	919463926	/nfs/dbraw/zinc/46/39/26/919463926.db2.gz	VRSZQTUGLUDXEO-QMMMGPOBSA-N	-1	1	321.341	-1.146	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)N(C)CCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001367498351	919467621	/nfs/dbraw/zinc/46/76/21/919467621.db2.gz	HTTRTACPJCWHSW-VIFPVBQESA-N	-1	1	312.374	-1.477	20	0		DAADMM
CN(CCN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)CCn1cncn1	ZINC001367520769	919471914	/nfs/dbraw/zinc/47/19/14/919471914.db2.gz	HFHYTGWYHVOWGU-UHFFFAOYSA-N	-1	1	322.329	-1.422	20	0		DAADMM
C[C@H](NC[C@H](O)CNC(=O)c1ncccc1[O-])c1nnnn1C	ZINC001367575028	919483580	/nfs/dbraw/zinc/48/35/80/919483580.db2.gz	NLHIEGYVWOHDRE-IUCAKERBSA-N	-1	1	321.341	-1.248	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)CCS(C)(=O)=O	ZINC001367678868	919555939	/nfs/dbraw/zinc/55/59/39/919555939.db2.gz	BRTGVBHOLCXMIL-SSDOTTSWSA-N	-1	1	305.360	-1.461	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)CN1CCCC1=O	ZINC001367779069	919568184	/nfs/dbraw/zinc/56/81/84/919568184.db2.gz	DIJXSNLVKOLEMF-SNVBAGLBSA-N	-1	1	324.385	-1.333	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)CN1CCCC1=O	ZINC001367779066	919570331	/nfs/dbraw/zinc/57/03/31/919570331.db2.gz	DIJXSNLVKOLEMF-JTQLQIEISA-N	-1	1	324.385	-1.333	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)CCn1ccnn1	ZINC001367798043	919575084	/nfs/dbraw/zinc/57/50/84/919575084.db2.gz	CCMLLITYMHNQRW-JTQLQIEISA-N	-1	1	322.373	-1.273	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](O)(CNC(=O)c3ccon3)C2)nc1=O	ZINC001368237290	919632248	/nfs/dbraw/zinc/63/22/48/919632248.db2.gz	FCGANEPUTAZVQX-ZDUSSCGKSA-N	-1	1	322.325	-1.537	20	0		DAADMM
CNC(=O)CN1CC(CCO)(NC(=O)c2ncccc2[O-])C1	ZINC001369019131	919798401	/nfs/dbraw/zinc/79/84/01/919798401.db2.gz	WQMNOXACCQVFOF-UHFFFAOYSA-N	-1	1	308.338	-1.300	20	0		DAADMM
C[C@@H](NC(=O)Cn1cccn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001369076232	919812014	/nfs/dbraw/zinc/81/20/14/919812014.db2.gz	WXLFCGGJFFWRSC-SNVBAGLBSA-N	-1	1	319.369	-1.058	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)C[C@@H]2CCCO2)nc1=O	ZINC001369303191	919839087	/nfs/dbraw/zinc/83/90/87/919839087.db2.gz	BZTSGUBIKQOKGF-ZJUUUORDSA-N	-1	1	313.358	-1.756	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)C[C@H]2CCCO2)nc1=O	ZINC001369303185	919839216	/nfs/dbraw/zinc/83/92/16/919839216.db2.gz	BZTSGUBIKQOKGF-NXEZZACHSA-N	-1	1	313.358	-1.756	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)c2ccncc2)nc1=O	ZINC001369304847	919843264	/nfs/dbraw/zinc/84/32/64/919843264.db2.gz	FUXIOCSTOBEZJW-JTQLQIEISA-N	-1	1	306.326	-1.616	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)c2ccncc2F)nc1=O	ZINC001369322289	919858634	/nfs/dbraw/zinc/85/86/34/919858634.db2.gz	REDFJZNORFKOKG-MRVPVSSYSA-N	-1	1	324.316	-1.477	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)[C@@H]2CCC2(F)F)nc1=O	ZINC001369327042	919859645	/nfs/dbraw/zinc/85/96/45/919859645.db2.gz	HRZCAXOAGPSTLZ-YUMQZZPRSA-N	-1	1	319.312	-1.280	20	0		DAADMM
Cn1cncc1C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001369346292	919882919	/nfs/dbraw/zinc/88/29/19/919882919.db2.gz	UGNXMSQDGHJALL-MRVPVSSYSA-N	-1	1	309.330	-2.278	20	0		DAADMM
Cc1nocc1C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001369343370	919883310	/nfs/dbraw/zinc/88/33/10/919883310.db2.gz	XOMDIANXTPPKDA-MRVPVSSYSA-N	-1	1	310.314	-1.715	20	0		DAADMM
O=C(NC[C@@H](CO)NC/C=C/Cl)c1n[nH]c(=O)[n-]c1=O	ZINC001369346422	919886353	/nfs/dbraw/zinc/88/63/53/919886353.db2.gz	ULEZMNVURZFJTK-IPWVHJGXSA-N	-1	1	303.706	-1.284	20	0		DAADMM
CCS(=O)(=O)CC(=O)N[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001370736487	920146601	/nfs/dbraw/zinc/14/66/01/920146601.db2.gz	VJAVNXPEYRJZDS-OCAPTIKFSA-N	-1	1	317.371	-1.318	20	0		DAADMM
CCN1C[C@@H](C(=O)NC[C@@H](C)NCc2n[nH]c(=O)[n-]2)CC1=O	ZINC001371188770	920236852	/nfs/dbraw/zinc/23/68/52/920236852.db2.gz	AYDBUWBXYKUJEE-BDAKNGLRSA-N	-1	1	310.358	-1.027	20	0		DAADMM
C[C@H](CNC(=O)[C@H](C)CS(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001371476234	920264626	/nfs/dbraw/zinc/26/46/26/920264626.db2.gz	SVKXGWMHKQOTBP-HTQZYQBOSA-N	-1	1	319.387	-1.215	20	0		DAADMM
C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001371476239	920266652	/nfs/dbraw/zinc/26/66/52/920266652.db2.gz	SVKXGWMHKQOTBP-YUMQZZPRSA-N	-1	1	319.387	-1.215	20	0		DAADMM
CN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)CCN1CCCC1=O	ZINC001372026816	920326233	/nfs/dbraw/zinc/32/62/33/920326233.db2.gz	VVOYHAQKIFPHLJ-UHFFFAOYSA-N	-1	1	324.341	-1.433	20	0		DAADMM
CC[C@@H](NC(C)=O)C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001372123601	920338234	/nfs/dbraw/zinc/33/82/34/920338234.db2.gz	NBMILNSJOICOSK-SNVBAGLBSA-N	-1	1	312.374	-1.429	20	0		DAADMM
CN(CCNC(=O)c1ccc(=O)n(C)n1)Cc1nc(=O)n(C)[n-]1	ZINC001372209850	920348425	/nfs/dbraw/zinc/34/84/25/920348425.db2.gz	WIEBKZNAWKZILM-UHFFFAOYSA-N	-1	1	321.341	-1.936	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN1Cc1nc(=O)n(C)[n-]1	ZINC001372491316	920376868	/nfs/dbraw/zinc/37/68/68/920376868.db2.gz	LWIAEUKOWKQEIB-ONGXEEELSA-N	-1	1	324.385	-1.286	20	0		DAADMM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@H]1CCCN1CCO	ZINC001372543924	920382828	/nfs/dbraw/zinc/38/28/28/920382828.db2.gz	HHDNHXMOMJWYJU-SNVBAGLBSA-N	-1	1	320.353	-1.356	20	0		DAADMM
CO[C@H](C)C(=O)NC[C@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001372801820	920416703	/nfs/dbraw/zinc/41/67/03/920416703.db2.gz	QFMYMSAILORUMO-JGVFFNPUSA-N	-1	1	322.325	-1.313	20	0		DAADMM
CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[n-]1	ZINC001373559820	920522685	/nfs/dbraw/zinc/52/26/85/920522685.db2.gz	BUHVXOIEEIYIRK-UWVGGRQHSA-N	-1	1	308.342	-1.970	20	0		DAADMM
NC(=O)NC1(C(=O)N2CC(NC(=O)c3ncccc3[O-])C2)CC1	ZINC001374625795	920657688	/nfs/dbraw/zinc/65/76/88/920657688.db2.gz	SZBMFCLJBABZFI-UHFFFAOYSA-N	-1	1	319.321	-1.071	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1cn[nH]c(=O)c1	ZINC001375053772	920742018	/nfs/dbraw/zinc/74/20/18/920742018.db2.gz	ZAIJDBWGWOQWPP-QMMMGPOBSA-N	-1	1	321.341	-1.146	20	0		DAADMM
O=C(N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1)[C@H]1COCCO1	ZINC001375208554	920753955	/nfs/dbraw/zinc/75/39/55/920753955.db2.gz	HTEPIDOFXXOHMV-NXEZZACHSA-N	-1	1	311.342	-1.090	20	0		DAADMM
CC(=O)NCC(=O)N[C@@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001375809864	920808436	/nfs/dbraw/zinc/80/84/36/920808436.db2.gz	FOZLVKDTTDGNFZ-ZDUSSCGKSA-N	-1	1	310.358	-1.675	20	0		DAADMM
CCNC(=O)CCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001376114493	920863509	/nfs/dbraw/zinc/86/35/09/920863509.db2.gz	KPWSXKDQBHLKRY-SNVBAGLBSA-N	-1	1	324.385	-1.285	20	0		DAADMM
Cc1cc(C(=O)NCC2(O)CN(Cc3nc(=O)n(C)[n-]3)C2)co1	ZINC001376169023	920880431	/nfs/dbraw/zinc/88/04/31/920880431.db2.gz	XEWGJVUQPNVRQM-UHFFFAOYSA-N	-1	1	321.337	-1.013	20	0		DAADMM
CN1CC[C@@H](N2CC(O)(CNC(=O)c3ncccc3[O-])C2)C1=O	ZINC001376166722	920880901	/nfs/dbraw/zinc/88/09/01/920880901.db2.gz	RJUJCADAIVSSFG-SNVBAGLBSA-N	-1	1	320.349	-1.206	20	0		DAADMM
CCN1CCOC[C@H]1C(=O)NC[C@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001376763591	921026372	/nfs/dbraw/zinc/02/63/72/921026372.db2.gz	VDCOUESPVPANMN-UWVGGRQHSA-N	-1	1	312.374	-1.175	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](CNC(=O)Cn3cncn3)C2)nc1=O	ZINC001377471099	921823290	/nfs/dbraw/zinc/82/32/90/921823290.db2.gz	JXDWOZZIWDYDQY-JTQLQIEISA-N	-1	1	320.357	-1.662	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001377843732	921866741	/nfs/dbraw/zinc/86/67/41/921866741.db2.gz	QUGGJOKDWSOPKS-ZJUUUORDSA-N	-1	1	324.385	-1.300	20	0		DAADMM
Cn1nccc1CCC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001377882715	921873727	/nfs/dbraw/zinc/87/37/27/921873727.db2.gz	MUXUCANYUVPIAG-UHFFFAOYSA-N	-1	1	319.369	-1.225	20	0		DAADMM
CC(=O)N(C)CC(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001377960447	921891636	/nfs/dbraw/zinc/89/16/36/921891636.db2.gz	GMBHOCOMEOFDGZ-UHFFFAOYSA-N	-1	1	310.358	-1.865	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)C[C@@H]3CCC(=O)N3)C2)nc1=O	ZINC001377996041	921898704	/nfs/dbraw/zinc/89/87/04/921898704.db2.gz	MJTDDRNIRZGVCD-JTQLQIEISA-N	-1	1	322.369	-1.675	20	0		DAADMM
CNC(=O)NCC(=O)NC[C@@H](C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001378055028	921907422	/nfs/dbraw/zinc/90/74/22/921907422.db2.gz	PHTMYHSXTAPJRP-MRVPVSSYSA-N	-1	1	313.362	-2.026	20	0		DAADMM
COC[C@H](C)C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001379361185	922134552	/nfs/dbraw/zinc/13/45/52/922134552.db2.gz	IQBIQOCVCDRQDE-IUCAKERBSA-N	-1	1	301.347	-2.042	20	0		DAADMM
Cc1cnn(C)c1C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001379472761	922191152	/nfs/dbraw/zinc/19/11/52/922191152.db2.gz	ODMAHJQZBOGHOH-SECBINFHSA-N	-1	1	323.357	-1.969	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CCN(C)C(=O)C1	ZINC001379519735	922214996	/nfs/dbraw/zinc/21/49/96/922214996.db2.gz	YMRAOHRCJAYBJG-DTWKUNHWSA-N	-1	1	310.358	-1.027	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1CNC(=O)N1	ZINC001379721900	922245405	/nfs/dbraw/zinc/24/54/05/922245405.db2.gz	HBDNASHJKFCZEV-YUMQZZPRSA-N	-1	1	311.346	-2.274	20	0		DAADMM
O=C(CCc1nc[nH]n1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001379966710	922303480	/nfs/dbraw/zinc/30/34/80/922303480.db2.gz	XYJRCOXVNRTGQG-QMMMGPOBSA-N	-1	1	306.330	-1.048	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)Cn2ncnn2)nc1=O	ZINC001379975210	922307558	/nfs/dbraw/zinc/30/75/58/922307558.db2.gz	UPUXVXOTPHNWNY-QMMMGPOBSA-N	-1	1	307.318	-2.514	20	0		DAADMM
Cc1nc(CC(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)n[nH]1	ZINC001379983127	922314321	/nfs/dbraw/zinc/31/43/21/922314321.db2.gz	YZQSQQXYAUFOBA-MRVPVSSYSA-N	-1	1	306.330	-1.130	20	0		DAADMM
COC[C@@H](OC)C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001380017104	922317503	/nfs/dbraw/zinc/31/75/03/922317503.db2.gz	RICVCLRBXZDUPE-NXEZZACHSA-N	-1	1	313.358	-1.540	20	0		DAADMM
COC[C@H](OC)C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001380017106	922319646	/nfs/dbraw/zinc/31/96/46/922319646.db2.gz	RICVCLRBXZDUPE-UWVGGRQHSA-N	-1	1	313.358	-1.540	20	0		DAADMM
CN(C(=O)c1ncccc1[O-])C1CN(CC(=O)NC(N)=O)C1	ZINC001380218200	922340221	/nfs/dbraw/zinc/34/02/21/922340221.db2.gz	RZFJJIHDVXSCRB-UHFFFAOYSA-N	-1	1	307.310	-1.262	20	0		DAADMM
CC(=O)NCC(=O)NC1(C)CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001380295440	922351124	/nfs/dbraw/zinc/35/11/24/922351124.db2.gz	WVDKSQOAQFJIMX-UHFFFAOYSA-N	-1	1	324.385	-1.285	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)c3ccsn3)C2)nc1=O	ZINC001380600805	922414893	/nfs/dbraw/zinc/41/48/93/922414893.db2.gz	WCNCIRQOQZWKDB-UHFFFAOYSA-N	-1	1	324.366	-1.458	20	0		DAADMM
C[C@@H](CNC(=O)CNC(=O)C1CC1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001381488845	922531421	/nfs/dbraw/zinc/53/14/21/922531421.db2.gz	HCEIZGIGVQOCBR-VIFPVBQESA-N	-1	1	324.385	-1.429	20	0		DAADMM
C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001381540216	922534761	/nfs/dbraw/zinc/53/47/61/922534761.db2.gz	JWRXGXVUOFIPDC-UWVGGRQHSA-N	-1	1	324.385	-1.429	20	0		DAADMM
C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001381562374	922535396	/nfs/dbraw/zinc/53/53/96/922535396.db2.gz	FDLHFJKPGLQBPX-QMMMGPOBSA-N	-1	1	323.357	-1.202	20	0		DAADMM
C[C@@H](CNC(=O)CCCC(N)=O)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001381638272	922538384	/nfs/dbraw/zinc/53/83/84/922538384.db2.gz	NPUVRHQYNPJXKC-VIFPVBQESA-N	-1	1	312.374	-1.300	20	0		DAADMM
C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001381633091	922539146	/nfs/dbraw/zinc/53/91/46/922539146.db2.gz	WLNFHSAXDBDHML-IUCAKERBSA-N	-1	1	310.358	-1.677	20	0		DAADMM
C[C@H](CN(C)C(=O)c1c[nH]c(=O)cn1)NCc1n[nH]c(=O)[n-]1	ZINC001382116277	922585930	/nfs/dbraw/zinc/58/59/30/922585930.db2.gz	GSLSNAIHJCDWGS-SSDOTTSWSA-N	-1	1	307.314	-1.156	20	0		DAADMM
Cc1ncncc1C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001382183247	922597389	/nfs/dbraw/zinc/59/73/89/922597389.db2.gz	DLLSNRQPVMNUGY-VIFPVBQESA-N	-1	1	321.341	-1.913	20	0		DAADMM
Cc1ncncc1C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001382183243	922598681	/nfs/dbraw/zinc/59/86/81/922598681.db2.gz	DLLSNRQPVMNUGY-SECBINFHSA-N	-1	1	321.341	-1.913	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)[C@@H]2CCCCO2)nc1=O	ZINC001382194941	922608842	/nfs/dbraw/zinc/60/88/42/922608842.db2.gz	DDCCNBISLKFXAB-ZJUUUORDSA-N	-1	1	313.358	-1.756	20	0		DAADMM
COCC1(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)CC1	ZINC001382219399	922625088	/nfs/dbraw/zinc/62/50/88/922625088.db2.gz	CGQRRZLTOQEPRI-SECBINFHSA-N	-1	1	313.358	-1.898	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)C2(C3CC3)CC2)nc1=O	ZINC001382217928	922625842	/nfs/dbraw/zinc/62/58/42/922625842.db2.gz	YEGXDGCGMRNQQP-JTQLQIEISA-N	-1	1	309.370	-1.135	20	0		DAADMM
Cn1cncc1CC(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001382265586	922652790	/nfs/dbraw/zinc/65/27/90/922652790.db2.gz	JVHVXJVSQRMNPM-SECBINFHSA-N	-1	1	323.357	-2.349	20	0		DAADMM
Cc1cc(C(=O)N(C)C[C@@H](O)CNCc2n[nH]c(=O)[n-]2)ncn1	ZINC001382381210	922706596	/nfs/dbraw/zinc/70/65/96/922706596.db2.gz	CKKBURREPLSJRJ-VIFPVBQESA-N	-1	1	321.341	-1.169	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)C[C@H]1CCOC1	ZINC001382411983	922732056	/nfs/dbraw/zinc/73/20/56/922732056.db2.gz	GOGPEAJROIYVTQ-ZJUUUORDSA-N	-1	1	313.358	-1.154	20	0		DAADMM
COCCN(CCNC(=O)c1ncc[nH]1)Cc1nc(=O)n(C)[n-]1	ZINC001382536478	922797047	/nfs/dbraw/zinc/79/70/47/922797047.db2.gz	JBXUGGBSMTWRNH-UHFFFAOYSA-N	-1	1	323.357	-1.290	20	0		DAADMM
C[C@H](CNC(=O)CCS(C)(=O)=O)NC(=O)c1cnn[nH]1	ZINC001386916087	923328760	/nfs/dbraw/zinc/32/87/60/923328760.db2.gz	HQBNPIBEFAVDBA-SSDOTTSWSA-N	-1	1	303.344	-1.526	20	0		DAADMM
C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H]1CNC(=O)N1	ZINC001389258850	923592962	/nfs/dbraw/zinc/59/29/62/923592962.db2.gz	GDXYHCJRTSPIPU-HTQZYQBOSA-N	-1	1	307.310	-1.297	20	0		DAADMM
C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@@H]1CNC(=O)N1	ZINC001389258852	923593122	/nfs/dbraw/zinc/59/31/22/923593122.db2.gz	GDXYHCJRTSPIPU-SFYZADRCSA-N	-1	1	307.310	-1.297	20	0		DAADMM
O=C(Cn1cnnn1)NC[C@@H]1CCN1C(=O)c1ncccc1[O-]	ZINC001389606191	923655173	/nfs/dbraw/zinc/65/51/73/923655173.db2.gz	ZBQKKKADKQUZTR-VIFPVBQESA-N	-1	1	317.309	-1.195	20	0		DAADMM
O=C(Cn1cnnn1)NC1(CNC(=O)c2ncccc2[O-])CC1	ZINC001389822993	923687612	/nfs/dbraw/zinc/68/76/12/923687612.db2.gz	KUTXZSJPMBWALL-UHFFFAOYSA-N	-1	1	317.309	-1.148	20	0		DAADMM
CN(CCNC(=O)c1ccc(=O)[nH]n1)Cc1nc(=O)n(C)[n-]1	ZINC001390734688	923775391	/nfs/dbraw/zinc/77/53/91/923775391.db2.gz	OYFXZRDHWAAUKK-UHFFFAOYSA-N	-1	1	307.314	-1.534	20	0		DAADMM
CN(CCNC(=O)[C@H]1CN(C)C(=O)N1)Cc1nc(=O)n(C)[n-]1	ZINC001390798262	923781469	/nfs/dbraw/zinc/78/14/69/923781469.db2.gz	QYICFOABXDJLAO-MRVPVSSYSA-N	-1	1	311.346	-2.320	20	0		DAADMM
C[C@@H](C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1)[C@H]1CCC(=O)N1	ZINC001390817715	923784759	/nfs/dbraw/zinc/78/47/59/923784759.db2.gz	MFGKRWKTYWFUCS-NXEZZACHSA-N	-1	1	324.385	-1.429	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](CNC(=O)CCCC(N)=O)C2)nc1=O	ZINC001391111794	923806117	/nfs/dbraw/zinc/80/61/17/923806117.db2.gz	BFCWCIHKFWOBPX-SNVBAGLBSA-N	-1	1	324.385	-1.298	20	0		DAADMM
Cn1[n-]c(CN(CCNC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)nc1=O	ZINC001391188756	923812228	/nfs/dbraw/zinc/81/22/28/923812228.db2.gz	CNJSVZDXWTWXOB-ZJUUUORDSA-N	-1	1	322.369	-1.690	20	0		DAADMM
CNC(=O)CN(C)C[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001391360465	923829998	/nfs/dbraw/zinc/82/99/98/923829998.db2.gz	QCLVCTICUKGCOL-MRVPVSSYSA-N	-1	1	324.341	-1.577	20	0		DAADMM
CNC(=O)NCCC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001391410457	923833006	/nfs/dbraw/zinc/83/30/06/923833006.db2.gz	GZQCAEWUTAJSPK-UHFFFAOYSA-N	-1	1	311.346	-2.272	20	0		DAADMM
Cc1nc(CC(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)n[nH]1	ZINC001391481525	923845599	/nfs/dbraw/zinc/84/55/99/923845599.db2.gz	IGSNSMMVUUQCIS-UHFFFAOYSA-N	-1	1	306.330	-1.272	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)C[C@H]3CCNC3=O)C2)nc1=O	ZINC001391492617	923846392	/nfs/dbraw/zinc/84/63/92/923846392.db2.gz	PUSWCRZCQDEUDL-SNVBAGLBSA-N	-1	1	322.369	-1.817	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)CNC(=O)CS(C)(=O)=O	ZINC001391881522	923882585	/nfs/dbraw/zinc/88/25/85/923882585.db2.gz	LHNYKCBDVNLSGZ-ZETCQYMHSA-N	-1	1	305.360	-1.603	20	0		DAADMM
O=C(Cn1cccn1)NC[C@@H](O)CNC(=O)c1ncccc1[O-]	ZINC001391998002	923904758	/nfs/dbraw/zinc/90/47/58/923904758.db2.gz	BMMYHJOPZZCKJW-SNVBAGLBSA-N	-1	1	319.321	-1.109	20	0		DAADMM
CN(CCN(C)C(=O)CS(C)(=O)=O)Cc1nc(=O)n(C)[n-]1	ZINC001392261855	923952015	/nfs/dbraw/zinc/95/20/15/923952015.db2.gz	SYCUGYPXLYJRJQ-UHFFFAOYSA-N	-1	1	319.387	-1.957	20	0		DAADMM
CN(CCN(C)C(=O)[C@]1(C)CCC(=O)N1)Cc1nc(=O)n(C)[n-]1	ZINC001392314382	923962965	/nfs/dbraw/zinc/96/29/65/923962965.db2.gz	OLJGNEADOCTUMW-AWEZNQCLSA-N	-1	1	324.385	-1.333	20	0		DAADMM
O=C(NC[C@H](O)CNCc1n[nH]c(=O)[n-]1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001392403038	924014368	/nfs/dbraw/zinc/01/43/68/924014368.db2.gz	YIRCOKCSOFQKQP-DWOGUGJQSA-N	-1	1	323.353	-1.500	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1CCC(=O)NC1	ZINC001392679665	924064793	/nfs/dbraw/zinc/06/47/93/924064793.db2.gz	MYNAWDZHJZDZNS-VHSXEESVSA-N	-1	1	324.385	-1.429	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@H]1CCC(=O)NC1	ZINC001392679663	924066391	/nfs/dbraw/zinc/06/63/91/924066391.db2.gz	MYNAWDZHJZDZNS-UWVGGRQHSA-N	-1	1	324.385	-1.429	20	0		DAADMM
CN1C[C@H](C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)CC1=O	ZINC001392762579	924074807	/nfs/dbraw/zinc/07/48/07/924074807.db2.gz	FGHPGNWFGQERSX-NXEZZACHSA-N	-1	1	322.369	-1.027	20	0		DAADMM
CC(=O)N1CC(C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)C1	ZINC001392758518	924075154	/nfs/dbraw/zinc/07/51/54/924075154.db2.gz	DTBUNCCXBKQKNF-NSHDSACASA-N	-1	1	322.369	-1.027	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](C)(NC(=O)Cn3ncnn3)C2)nc1=O	ZINC001393099373	924115576	/nfs/dbraw/zinc/11/55/76/924115576.db2.gz	BIJPCGMSWMKTSR-LBPRGKRZSA-N	-1	1	321.345	-2.124	20	0		DAADMM
CO[C@@H](C)C(=O)NC[C@@H]1COCCN1Cc1nc(=O)n(C)[n-]1	ZINC001393497147	924217213	/nfs/dbraw/zinc/21/72/13/924217213.db2.gz	GRMZPTLHBCQYRF-VHSXEESVSA-N	-1	1	313.358	-1.540	20	0		DAADMM
CO[C@H](C)C(=O)NC[C@H]1COCCN1Cc1nc(=O)n(C)[n-]1	ZINC001393497154	924217692	/nfs/dbraw/zinc/21/76/92/924217692.db2.gz	GRMZPTLHBCQYRF-ZJUUUORDSA-N	-1	1	313.358	-1.540	20	0		DAADMM
CN(CCCN(C)C(=O)c1c[n-]n2c1nccc2=O)CC(N)=O	ZINC001393635639	924237617	/nfs/dbraw/zinc/23/76/17/924237617.db2.gz	JXXFPLGZOVDUMX-UHFFFAOYSA-N	-1	1	320.353	-1.098	20	0		DAADMM
C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)CN1CCOCC1	ZINC001393922850	924268605	/nfs/dbraw/zinc/26/86/05/924268605.db2.gz	DCZDGGAIOXXKBP-UWVGGRQHSA-N	-1	1	312.374	-1.175	20	0		DAADMM
Cc1nnc(CC(=O)NC[C@@H](C)N(C)Cc2nc(=O)n(C)[n-]2)o1	ZINC001394064704	924274714	/nfs/dbraw/zinc/27/47/14/924274714.db2.gz	KPGPHLZDTYBFKF-MRVPVSSYSA-N	-1	1	323.357	-1.021	20	0		DAADMM
Cc1nnc(CC(=O)NC[C@H](C)N(C)Cc2nc(=O)n(C)[n-]2)o1	ZINC001394064715	924276500	/nfs/dbraw/zinc/27/65/00/924276500.db2.gz	KPGPHLZDTYBFKF-QMMMGPOBSA-N	-1	1	323.357	-1.021	20	0		DAADMM
COCCC(=O)NC[C@H](CO)NCc1cc(=O)n2[n-]ccc2n1	ZINC001394563734	924308679	/nfs/dbraw/zinc/30/86/79/924308679.db2.gz	KWPYLAAREYNCEV-LLVKDONJSA-N	-1	1	323.353	-1.374	20	0		DAADMM
Cc1cc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)n(C)n1	ZINC001394572313	924312162	/nfs/dbraw/zinc/31/21/62/924312162.db2.gz	LHJGPPIEQCYNFX-SECBINFHSA-N	-1	1	323.357	-1.969	20	0		DAADMM
Cc1ccnc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)n1	ZINC001394580607	924320232	/nfs/dbraw/zinc/32/02/32/924320232.db2.gz	BNDRZSNFPGAELL-VIFPVBQESA-N	-1	1	321.341	-1.913	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)[C@H]2CCCOC2)nc1=O	ZINC001394580321	924320706	/nfs/dbraw/zinc/32/07/06/924320706.db2.gz	XJEDOKMKVUCPIJ-VHSXEESVSA-N	-1	1	313.358	-1.898	20	0		DAADMM
Cn1ccc(CC(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)n1	ZINC001394590316	924326418	/nfs/dbraw/zinc/32/64/18/924326418.db2.gz	XBZJQJCBUAAGRL-JTQLQIEISA-N	-1	1	323.357	-2.349	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)C2(F)CCCC2)nc1=O	ZINC001394602397	924332420	/nfs/dbraw/zinc/33/24/20/924332420.db2.gz	HNXWINBBLXJBJK-SECBINFHSA-N	-1	1	315.349	-1.043	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)c2ncccc2F)nc1=O	ZINC001394642296	924350213	/nfs/dbraw/zinc/35/02/13/924350213.db2.gz	HMVGCVSJLHVYHY-MRVPVSSYSA-N	-1	1	324.316	-1.477	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)Cn1cccn1	ZINC001394730076	924364473	/nfs/dbraw/zinc/36/44/73/924364473.db2.gz	TYVDZXPNPDEKKU-VIFPVBQESA-N	-1	1	309.330	-1.684	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1cnccn1	ZINC001394728651	924366230	/nfs/dbraw/zinc/36/62/30/924366230.db2.gz	OJIYCUQPYPMXBH-QMMMGPOBSA-N	-1	1	307.314	-1.477	20	0		DAADMM
Cc1cn(C)nc1C(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001394733272	924368424	/nfs/dbraw/zinc/36/84/24/924368424.db2.gz	IIOVHJXYPRIEDP-VIFPVBQESA-N	-1	1	323.357	-1.225	20	0		DAADMM
CC(=O)N(C)CC(=O)N[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001398222909	924630022	/nfs/dbraw/zinc/63/00/22/924630022.db2.gz	SJTNXGWSAAESTA-NSHDSACASA-N	-1	1	324.385	-1.333	20	0		DAADMM
Cn1[n-]c(CN2CCN(CCNC(=O)C3CC3)CC2)nc1=O	ZINC001398223388	924630427	/nfs/dbraw/zinc/63/04/27/924630427.db2.gz	FFVIIFZOCVGVNB-UHFFFAOYSA-N	-1	1	308.386	-1.248	20	0		DAADMM
CC(=O)N(C)CC(=O)N[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001398222896	924630719	/nfs/dbraw/zinc/63/07/19/924630719.db2.gz	SJTNXGWSAAESTA-LLVKDONJSA-N	-1	1	324.385	-1.333	20	0		DAADMM
Cn1cnc(C(=O)NC[C@@H](NCc2n[nH]c(=O)[n-]2)C2CC2)n1	ZINC001398384048	924641165	/nfs/dbraw/zinc/64/11/65/924641165.db2.gz	CGXBZDZPMJGGHR-MRVPVSSYSA-N	-1	1	306.330	-1.063	20	0		DAADMM
CN1C[C@H](C(=O)NC[C@@H](NCc2n[nH]c(=O)[n-]2)C2CC2)NC1=O	ZINC001398439727	924643033	/nfs/dbraw/zinc/64/30/33/924643033.db2.gz	SBYNKPVUDKFXPA-RKDXNWHRSA-N	-1	1	323.357	-1.482	20	0		DAADMM
C[C@@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)NCc1n[nH]c(=O)[n-]1	ZINC001398962799	924682964	/nfs/dbraw/zinc/68/29/64/924682964.db2.gz	RGILOTXMAJNDFM-IUCAKERBSA-N	-1	1	310.358	-1.027	20	0		DAADMM
O=C(Cn1ccnc1)NC[C@H](O)CNC(=O)c1ncccc1[O-]	ZINC001399824284	924739600	/nfs/dbraw/zinc/73/96/00/924739600.db2.gz	GXXBLKIFTILRFY-JTQLQIEISA-N	-1	1	319.321	-1.109	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001400520234	924807275	/nfs/dbraw/zinc/80/72/75/924807275.db2.gz	YZCQHZGFEXBBTI-MRVPVSSYSA-N	-1	1	310.358	-1.832	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001400520240	924807454	/nfs/dbraw/zinc/80/74/54/924807454.db2.gz	YZCQHZGFEXBBTI-QMMMGPOBSA-N	-1	1	310.358	-1.832	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)Cn3cncn3)C2)nc1=O	ZINC001400577587	924814896	/nfs/dbraw/zinc/81/48/96/924814896.db2.gz	PIVKXHSNKLVTQO-UHFFFAOYSA-N	-1	1	306.330	-2.052	20	0		DAADMM
CC[C@H](CNC(=O)[C@@H]1CN(C)CCO1)NCc1n[nH]c(=O)[n-]1	ZINC001400794105	924832319	/nfs/dbraw/zinc/83/23/19/924832319.db2.gz	LALBKLLMOCTZHD-ZJUUUORDSA-N	-1	1	312.374	-1.175	20	0		DAADMM
CC[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001400828752	924833647	/nfs/dbraw/zinc/83/36/47/924833647.db2.gz	UAGNKNDINNKKCI-HTQZYQBOSA-N	-1	1	319.387	-1.072	20	0		DAADMM
CC[C@@H](CNC(=O)[C@@H](C)S(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001400828756	924834795	/nfs/dbraw/zinc/83/47/95/924834795.db2.gz	UAGNKNDINNKKCI-SFYZADRCSA-N	-1	1	319.387	-1.072	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)[C@H]1CCNC(=O)C1	ZINC001401214899	924851338	/nfs/dbraw/zinc/85/13/38/924851338.db2.gz	KMRQZLPCHVSJEA-IUCAKERBSA-N	-1	1	310.358	-1.027	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)c1cn(C)c(=O)n1C	ZINC001401270241	924853341	/nfs/dbraw/zinc/85/33/41/924853341.db2.gz	ZATHCRMBKMNUTL-MRVPVSSYSA-N	-1	1	323.357	-1.202	20	0		DAADMM
CN(CCN(C)C(=O)[C@H]1COCCO1)Cc1nc(=O)n(C)[n-]1	ZINC001401358325	924857366	/nfs/dbraw/zinc/85/73/66/924857366.db2.gz	YILLLZZXWNOCSF-SNVBAGLBSA-N	-1	1	313.358	-1.586	20	0		DAADMM
CN(CCN(C)C(=O)[C@@H]1COCCO1)Cc1nc(=O)n(C)[n-]1	ZINC001401358256	924859200	/nfs/dbraw/zinc/85/92/00/924859200.db2.gz	YILLLZZXWNOCSF-JTQLQIEISA-N	-1	1	313.358	-1.586	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)CCCC(N)=O	ZINC001401799154	924921000	/nfs/dbraw/zinc/92/10/00/924921000.db2.gz	IDEDFOCDBMNFLU-SECBINFHSA-N	-1	1	312.374	-1.300	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)CCCC(N)=O	ZINC001401799174	924921245	/nfs/dbraw/zinc/92/12/45/924921245.db2.gz	IDEDFOCDBMNFLU-VIFPVBQESA-N	-1	1	312.374	-1.300	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1cnn(C)n1	ZINC001401800194	924922300	/nfs/dbraw/zinc/92/23/00/924922300.db2.gz	FBQJHSBVOLUVNP-QMMMGPOBSA-N	-1	1	308.346	-1.513	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)CCNC(N)=O	ZINC001401806973	924923197	/nfs/dbraw/zinc/92/31/97/924923197.db2.gz	QAYHVMJWCHEDOC-QMMMGPOBSA-N	-1	1	313.362	-1.897	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)CS(C)(=O)=O)nc1=O	ZINC001401873820	924927079	/nfs/dbraw/zinc/92/70/79/924927079.db2.gz	SJZYFDVANROXCP-MRVPVSSYSA-N	-1	1	317.371	-2.157	20	0		DAADMM
CC(=O)NCC(=O)N(C)C1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001402023103	924942012	/nfs/dbraw/zinc/94/20/12/924942012.db2.gz	DFIBTJWOADQGOY-UHFFFAOYSA-N	-1	1	324.385	-1.333	20	0		DAADMM
Cn1cncc1C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001402332351	924977753	/nfs/dbraw/zinc/97/77/53/924977753.db2.gz	CLVPEUBTTFDLIS-UHFFFAOYSA-N	-1	1	321.341	-2.181	20	0		DAADMM
COCC(=O)N[C@]1(CO)CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001402438772	924995952	/nfs/dbraw/zinc/99/59/52/924995952.db2.gz	RTDFYBOYWHATPE-CYBMUJFWSA-N	-1	1	313.358	-1.802	20	0		DAADMM
CNC(=O)NCCC(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001402443823	924996843	/nfs/dbraw/zinc/99/68/43/924996843.db2.gz	SDYXKVHJCGFWIX-QMMMGPOBSA-N	-1	1	311.346	-1.480	20	0		DAADMM
C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)NCc1n[nH]c(=O)[n-]1	ZINC001402922188	925039930	/nfs/dbraw/zinc/03/99/30/925039930.db2.gz	DTAAYDHCRGBFLP-SFYZADRCSA-N	-1	1	317.371	-1.461	20	0		DAADMM
C[C@H](CNC(=O)[C@@H](C)n1cncn1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001403119272	925053684	/nfs/dbraw/zinc/05/36/84/925053684.db2.gz	CUKHVTCCEPBWES-NXEZZACHSA-N	-1	1	322.373	-1.102	20	0		DAADMM
C[C@@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)N(C)CCO	ZINC001403174018	925056438	/nfs/dbraw/zinc/05/64/38/925056438.db2.gz	IKYYGDYKPYEYGP-VIFPVBQESA-N	-1	1	308.342	-1.500	20	0		DAADMM
CN(C(=O)[C@@H]1COC(=O)N1)[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001403498080	925081710	/nfs/dbraw/zinc/08/17/10/925081710.db2.gz	YRIXWQGMBHNQGI-DTWKUNHWSA-N	-1	1	324.341	-1.055	20	0		DAADMM
CN(CCNC(=O)CCn1cncn1)Cc1nc(=O)n(C)[n-]1	ZINC001403512591	925082127	/nfs/dbraw/zinc/08/21/27/925082127.db2.gz	WXUSADXADHXRGT-UHFFFAOYSA-N	-1	1	308.346	-1.662	20	0		DAADMM
CN(C(=O)[C@H]1CNC(=O)N1)[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001403548649	925084231	/nfs/dbraw/zinc/08/42/31/925084231.db2.gz	MKWFWJGKUVPHRH-RKDXNWHRSA-N	-1	1	323.357	-1.482	20	0		DAADMM
CN(C(=O)[C@H]1CNC(=O)N1)[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001403548609	925084411	/nfs/dbraw/zinc/08/44/11/925084411.db2.gz	MKWFWJGKUVPHRH-BDAKNGLRSA-N	-1	1	323.357	-1.482	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)COC(C)(C)C)nc1=O	ZINC001403652896	925099615	/nfs/dbraw/zinc/09/96/15/925099615.db2.gz	IGHUMHLHSLSPEI-VIFPVBQESA-N	-1	1	315.374	-1.510	20	0		DAADMM
Cc1ccc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)o1	ZINC001403659509	925102124	/nfs/dbraw/zinc/10/21/24/925102124.db2.gz	WBRKFJVWRACCCT-VIFPVBQESA-N	-1	1	309.326	-1.110	20	0		DAADMM
Cc1ccc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)o1	ZINC001403659455	925102688	/nfs/dbraw/zinc/10/26/88/925102688.db2.gz	WBRKFJVWRACCCT-SECBINFHSA-N	-1	1	309.326	-1.110	20	0		DAADMM
Cc1cc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)no1	ZINC001403662651	925105036	/nfs/dbraw/zinc/10/50/36/925105036.db2.gz	YMULHVLSGHFRNJ-MRVPVSSYSA-N	-1	1	310.314	-1.715	20	0		DAADMM
CN(CCNC(=O)[C@]1(C)CCC(=O)NC1)Cc1nc(=O)n(C)[n-]1	ZINC001403664302	925106908	/nfs/dbraw/zinc/10/69/08/925106908.db2.gz	GBVFGQFLSDSVPG-CQSZACIVSA-N	-1	1	324.385	-1.427	20	0		DAADMM
COC(=O)NCC(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)[C@H]1C	ZINC001403764198	925138648	/nfs/dbraw/zinc/13/86/48/925138648.db2.gz	XYCQROUPGYXFHW-HTQZYQBOSA-N	-1	1	312.330	-1.055	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)[C@]1(F)CCOC1	ZINC001403868096	925158000	/nfs/dbraw/zinc/15/80/00/925158000.db2.gz	HNKQTUZTRFLAFX-UFBFGSQYSA-N	-1	1	317.321	-1.452	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001405022193	925233178	/nfs/dbraw/zinc/23/31/78/925233178.db2.gz	VXIAAALRGDJNSO-BDAKNGLRSA-N	-1	1	310.358	-1.690	20	0		DAADMM
O=C(Cn1cccn1)NC[C@@H](CO)NC(=O)c1ncccc1[O-]	ZINC001405217953	925254500	/nfs/dbraw/zinc/25/45/00/925254500.db2.gz	GWZURIRNBZBIRR-JTQLQIEISA-N	-1	1	319.321	-1.109	20	0		DAADMM
CC[C@H](CNC(=O)c1cc(=O)n(C)cn1)NCc1n[nH]c(=O)[n-]1	ZINC001405264297	925273495	/nfs/dbraw/zinc/27/34/95/925273495.db2.gz	XZVVZRYTEWAJQF-MRVPVSSYSA-N	-1	1	321.341	-1.098	20	0		DAADMM
CC(C)[C@H](CNC(=O)CS(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001405997904	925341490	/nfs/dbraw/zinc/34/14/90/925341490.db2.gz	BIPXQEVAKGNZGO-QMMMGPOBSA-N	-1	1	319.387	-1.215	20	0		DAADMM
CN(CCN(C)C(=O)c1ccc(=O)[nH]n1)Cc1nc(=O)n(C)[n-]1	ZINC001406071634	925343821	/nfs/dbraw/zinc/34/38/21/925343821.db2.gz	WDFQIZCSBOVNGX-UHFFFAOYSA-N	-1	1	321.341	-1.192	20	0		DAADMM
CN(CCN(C)C(=O)c1ncn(C)n1)Cc1nc(=O)n(C)[n-]1	ZINC001406089891	925345527	/nfs/dbraw/zinc/34/55/27/925345527.db2.gz	KSNUWTQCKUGNSJ-UHFFFAOYSA-N	-1	1	308.346	-1.559	20	0		DAADMM
O=C(Cc1ccc(F)cn1)NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001406249624	925374772	/nfs/dbraw/zinc/37/47/72/925374772.db2.gz	USIPFIALRCMHSE-JTQLQIEISA-N	-1	1	324.316	-1.146	20	0		DAADMM
O=C(NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1)c1ncccc1F	ZINC001406290391	925396605	/nfs/dbraw/zinc/39/66/05/925396605.db2.gz	QMSOESLZBZTROL-ZETCQYMHSA-N	-1	1	310.289	-1.075	20	0		DAADMM
CN1CCO[C@H](C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)C1	ZINC001406760848	925431656	/nfs/dbraw/zinc/43/16/56/925431656.db2.gz	YOFNIWCCMWXTCN-MNOVXSKESA-N	-1	1	324.385	-1.175	20	0		DAADMM
Cn1ncc(C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)n1	ZINC001406787988	925432194	/nfs/dbraw/zinc/43/21/94/925432194.db2.gz	MTWSFHYJPJJOGF-QMMMGPOBSA-N	-1	1	306.330	-1.063	20	0		DAADMM
CCC(=O)N[C@H](C)C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001406840933	925436511	/nfs/dbraw/zinc/43/65/11/925436511.db2.gz	VJHUUWLGVDLZGC-NXEZZACHSA-N	-1	1	324.385	-1.286	20	0		DAADMM
C[C@@H](C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)n1cncn1	ZINC001406854376	925437883	/nfs/dbraw/zinc/43/78/83/925437883.db2.gz	NWHOZWKRQWSIKH-VHSXEESVSA-N	-1	1	320.357	-1.348	20	0		DAADMM
C[C@@]1(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCN(CCO)C1	ZINC001407168012	925456349	/nfs/dbraw/zinc/45/63/49/925456349.db2.gz	FSCCMNFCXUTSKD-CQSZACIVSA-N	-1	1	320.353	-1.356	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)c3ccncc3)C2)nc1=O	ZINC001407383112	925477211	/nfs/dbraw/zinc/47/72/11/925477211.db2.gz	PMKFWLCETQUDAZ-UHFFFAOYSA-N	-1	1	318.337	-1.520	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)c3ccn[nH]3)C2)nc1=O	ZINC001407390369	925478179	/nfs/dbraw/zinc/47/81/79/925478179.db2.gz	UQVDMDXPJWSWGQ-UHFFFAOYSA-N	-1	1	307.314	-2.192	20	0		DAADMM
CCO[C@H](C)C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001407390523	925478872	/nfs/dbraw/zinc/47/88/72/925478872.db2.gz	XVNLVEZMTRSCAJ-SECBINFHSA-N	-1	1	313.358	-1.804	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)c3cncnc3)C2)nc1=O	ZINC001407402072	925481096	/nfs/dbraw/zinc/48/10/96/925481096.db2.gz	LJVNXEUHBRYLCX-UHFFFAOYSA-N	-1	1	319.325	-2.125	20	0		DAADMM
COCC(=O)NC[C@H](C)CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001409660666	925642446	/nfs/dbraw/zinc/64/24/46/925642446.db2.gz	RLUMIQGURUPNMP-QMMMGPOBSA-N	-1	1	322.325	-1.454	20	0		DAADMM
CC(=O)N(C)CC(=O)NC[C@H](O)CNC(=O)c1ncccc1[O-]	ZINC001410082531	925674918	/nfs/dbraw/zinc/67/49/18/925674918.db2.gz	UDSOPXGMFTXSER-JTQLQIEISA-N	-1	1	324.337	-1.528	20	0		DAADMM
C[C@H](CN(C)C(=O)CS(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001410339821	925711837	/nfs/dbraw/zinc/71/18/37/925711837.db2.gz	KAUUILUQJYFISE-SSDOTTSWSA-N	-1	1	305.360	-1.509	20	0		DAADMM
Cc1n[nH]c(C(=O)NC[C@H](CO)NCC(=O)N2CCC2)c1[O-]	ZINC001410585250	925734411	/nfs/dbraw/zinc/73/44/11/925734411.db2.gz	FNPUPHBSDWGJDU-SECBINFHSA-N	-1	1	311.342	-1.664	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)nc1=O	ZINC001410584863	925735412	/nfs/dbraw/zinc/73/54/12/925735412.db2.gz	CZKPDCBBKSZCPQ-SVDPJWKOSA-N	-1	1	309.370	-1.279	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)C2=COCCC2)nc1=O	ZINC001410596114	925737004	/nfs/dbraw/zinc/73/70/04/925737004.db2.gz	YJTOHGUVMBMLNX-SNVBAGLBSA-N	-1	1	311.342	-1.631	20	0		DAADMM
O=C(NC1(CNC(=O)[C@@H]2CNC(=O)N2)CC1)c1ncccc1[O-]	ZINC001410814517	925786648	/nfs/dbraw/zinc/78/66/48/925786648.db2.gz	QOOCYTUCHGCKIO-QMMMGPOBSA-N	-1	1	319.321	-1.153	20	0		DAADMM
O=C(NC1(CNC(=O)[C@H]2CNC(=O)N2)CC1)c1ncccc1[O-]	ZINC001410813998	925787194	/nfs/dbraw/zinc/78/71/94/925787194.db2.gz	QOOCYTUCHGCKIO-MRVPVSSYSA-N	-1	1	319.321	-1.153	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)CCn1cccn1	ZINC001410982066	925799202	/nfs/dbraw/zinc/79/92/02/925799202.db2.gz	LKFCCOCLLBBPEE-JTQLQIEISA-N	-1	1	323.357	-1.294	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)CCn1cccn1	ZINC001410982067	925799551	/nfs/dbraw/zinc/79/95/51/925799551.db2.gz	LKFCCOCLLBBPEE-SNVBAGLBSA-N	-1	1	323.357	-1.294	20	0		DAADMM
CC(=O)NC1(CCO)CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001411722641	925853490	/nfs/dbraw/zinc/85/34/90/925853490.db2.gz	SCXRWFLROYEXLA-UHFFFAOYSA-N	-1	1	320.309	-1.869	20	0		DAADMM
NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)O1	ZINC001411778139	925858286	/nfs/dbraw/zinc/85/82/86/925858286.db2.gz	PASFBWFNLUJKLW-UTLUCORTSA-N	-1	1	324.341	-1.087	20	0		DAADMM
O=C(CN1CCC(CO)CC1)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC001411776374	925858353	/nfs/dbraw/zinc/85/83/53/925858353.db2.gz	LLWJBHXDDHGTKU-LLVKDONJSA-N	-1	1	310.358	-1.196	20	0		DAADMM
O=C([C@H]1CCS(=O)(=O)N1)N1CCC[C@H](c2nn[n-]n2)C1	ZINC001411936514	925862198	/nfs/dbraw/zinc/86/21/98/925862198.db2.gz	IJQLYPXCWDUYLD-JGVFFNPUSA-N	-1	1	300.344	-1.403	20	0		DAADMM
O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC001411936528	925862320	/nfs/dbraw/zinc/86/23/20/925862320.db2.gz	IJQLYPXCWDUYLD-SFYZADRCSA-N	-1	1	300.344	-1.403	20	0		DAADMM
CCn1ncn(NC(=O)CNC(=O)c2ncccc2[O-])c1=O	ZINC001412183068	925877932	/nfs/dbraw/zinc/87/79/32/925877932.db2.gz	TYOQHCXXRFDQGJ-UHFFFAOYSA-N	-1	1	306.282	-1.335	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](O)[C@H](CO)C2)co1	ZINC001412221477	925880774	/nfs/dbraw/zinc/88/07/74/925880774.db2.gz	NGPGZMCVFAWETA-DTWKUNHWSA-N	-1	1	304.324	-1.387	20	0		DAADMM
CCS(=O)(=O)N(C)CC(=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001412430252	925895712	/nfs/dbraw/zinc/89/57/12/925895712.db2.gz	IUGAWAOZJCKLHK-MRVPVSSYSA-N	-1	1	318.359	-1.619	20	0		DAADMM
CCS(=O)(=O)N(C)CC(=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001412430256	925896899	/nfs/dbraw/zinc/89/68/99/925896899.db2.gz	IUGAWAOZJCKLHK-QMMMGPOBSA-N	-1	1	318.359	-1.619	20	0		DAADMM
O=C(Cn1ccc(=O)[nH]c1=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001412434260	925897535	/nfs/dbraw/zinc/89/75/35/925897535.db2.gz	VIJIWBVKFKFBPP-SSDOTTSWSA-N	-1	1	307.270	-1.938	20	0		DAADMM
CCC[C@@H](C(=O)N1CC[C@H](c2nn[n-]n2)C1)S(N)(=O)=O	ZINC001412493331	925903143	/nfs/dbraw/zinc/90/31/43/925903143.db2.gz	UYHFZJCFXKBMDV-YUMQZZPRSA-N	-1	1	302.360	-1.027	20	0		DAADMM
COC[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)c1nn[n-]n1	ZINC001412602828	925914935	/nfs/dbraw/zinc/91/49/35/925914935.db2.gz	GPDVTNBZDNVRKI-SSDOTTSWSA-N	-1	1	321.363	-2.258	20	0		DAADMM
CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)CCc2nn[n-]n2)C1	ZINC001412777782	925942247	/nfs/dbraw/zinc/94/22/47/925942247.db2.gz	KKTWHDFEYSCZTP-IUCAKERBSA-N	-1	1	312.330	-1.302	20	0		DAADMM
Cn1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(=O)n(C)c1=O	ZINC001412852459	925968016	/nfs/dbraw/zinc/96/80/16/925968016.db2.gz	JDOQVYXYQCSDHN-QMMMGPOBSA-N	-1	1	319.325	-1.383	20	0		DAADMM
COCC(=O)NCCC(=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001412895937	925978021	/nfs/dbraw/zinc/97/80/21/925978021.db2.gz	FJSXEDPQNUDBEG-UHFFFAOYSA-N	-1	1	312.330	-1.838	20	0		DAADMM
Cn1cnc(C[N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)n1	ZINC001413308681	926032155	/nfs/dbraw/zinc/03/21/55/926032155.db2.gz	NOGURAPURIUYOJ-UHFFFAOYSA-N	-1	1	300.300	-1.907	20	0		DAADMM
COC(=O)[C@@H](O)C[N-]S(=O)(=O)Cc1noc(C2CC2)n1	ZINC001413321849	926035573	/nfs/dbraw/zinc/03/55/73/926035573.db2.gz	AOOZRRBBNKNVRJ-ZETCQYMHSA-N	-1	1	305.312	-1.100	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](CO)C2)[n-]n1	ZINC001413324895	926035652	/nfs/dbraw/zinc/03/56/52/926035652.db2.gz	GFCYXSKZNRNEPP-HTQZYQBOSA-N	-1	1	319.339	-1.033	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](CO)C2)n[n-]1	ZINC001413324895	926035660	/nfs/dbraw/zinc/03/56/60/926035660.db2.gz	GFCYXSKZNRNEPP-HTQZYQBOSA-N	-1	1	319.339	-1.033	20	0		DAADMM
COC[C@@H]([N-]S(=O)(=O)Cc1noc(C2CC2)n1)C(N)=O	ZINC001413324142	926035690	/nfs/dbraw/zinc/03/56/90/926035690.db2.gz	XPHLURSZVNSKHF-SSDOTTSWSA-N	-1	1	304.328	-1.133	20	0		DAADMM
COC[C@H](O)CC[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC	ZINC001413326898	926036602	/nfs/dbraw/zinc/03/66/02/926036602.db2.gz	PYDRAPRLHFNIMZ-SSDOTTSWSA-N	-1	1	307.328	-1.128	20	0		DAADMM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)CCS(=O)(=O)N(C)C)C(=O)O1	ZINC001413354582	926041339	/nfs/dbraw/zinc/04/13/39/926041339.db2.gz	LETBHXOJZDYFHB-HTQZYQBOSA-N	-1	1	314.385	-1.499	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NC[C@@](C)(CO)OC)[n-]n1	ZINC001413384248	926046168	/nfs/dbraw/zinc/04/61/68/926046168.db2.gz	AGQKSPLZCVHFMM-JTQLQIEISA-N	-1	1	307.328	-1.128	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NC[C@@](C)(CO)OC)n[n-]1	ZINC001413384248	926046173	/nfs/dbraw/zinc/04/61/73/926046173.db2.gz	AGQKSPLZCVHFMM-JTQLQIEISA-N	-1	1	307.328	-1.128	20	0		DAADMM
Cc1cc(O)cc(=O)n1CC(=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001413387368	926048463	/nfs/dbraw/zinc/04/84/63/926048463.db2.gz	MTNNGUYMFGIGBF-JTQLQIEISA-N	-1	1	320.309	-1.024	20	0		DAADMM
COC(=O)CCNC(=O)CCNC(=O)CCCc1nn[n-]n1	ZINC001413393934	926048848	/nfs/dbraw/zinc/04/88/48/926048848.db2.gz	LQJLWRSLTJOYBS-UHFFFAOYSA-N	-1	1	312.330	-1.292	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCC(CO)(CO)C2)[n-]n1	ZINC001413406371	926049744	/nfs/dbraw/zinc/04/97/44/926049744.db2.gz	QWQAGCKHUQUGPP-UHFFFAOYSA-N	-1	1	319.339	-1.438	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCC(CO)(CO)C2)n[n-]1	ZINC001413406371	926049754	/nfs/dbraw/zinc/04/97/54/926049754.db2.gz	QWQAGCKHUQUGPP-UHFFFAOYSA-N	-1	1	319.339	-1.438	20	0		DAADMM
COC[C@H](CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1O)OC	ZINC001413412369	926049920	/nfs/dbraw/zinc/04/99/20/926049920.db2.gz	ZNSDADPLUFXLPG-IWSPIJDZSA-N	-1	1	317.385	-2.275	20	0		DAADMM
CN1CCOC[C@@H]1CNC(=O)CNC(=O)c1ncccc1[O-]	ZINC001413424658	926051331	/nfs/dbraw/zinc/05/13/31/926051331.db2.gz	VKXVXAJBVHWYBZ-JTQLQIEISA-N	-1	1	308.338	-1.036	20	0		DAADMM
COC(=O)C1(S(=O)(=O)[N-][C@@H](CO)c2nncn2C)CCC1	ZINC001413426270	926053381	/nfs/dbraw/zinc/05/33/81/926053381.db2.gz	ISVQCPJOHJOXGM-QMMMGPOBSA-N	-1	1	318.355	-1.136	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2CC23CC(O)C3)c(=O)n(C)c1=O	ZINC001413449045	926054822	/nfs/dbraw/zinc/05/48/22/926054822.db2.gz	RVSKYSIIKVSVSZ-AZOHRERUSA-N	-1	1	315.351	-1.724	20	0		DAADMM
O=C(CO)NCCC(=O)NCc1nc2c(c(=O)[n-]1)COCC2	ZINC001413453612	926055195	/nfs/dbraw/zinc/05/51/95/926055195.db2.gz	KMKVGSBRYMYGTG-UHFFFAOYSA-N	-1	1	310.310	-1.630	20	0		DAADMM
COC(=O)[C@H](CC1OCCO1)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC001413485203	926058558	/nfs/dbraw/zinc/05/85/58/926058558.db2.gz	QTLCWTXTCDAUKU-IUCAKERBSA-N	-1	1	309.340	-1.001	20	0		DAADMM
Cn1[n-]c(CN2CCC(n3cc(C(N)=O)nn3)CC2)nc1=O	ZINC001414022375	926095332	/nfs/dbraw/zinc/09/53/32/926095332.db2.gz	KNVWKWWCNJTRPT-UHFFFAOYSA-N	-1	1	306.330	-1.364	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F)c(=O)[nH]c1=O	ZINC001414242758	926113425	/nfs/dbraw/zinc/11/34/25/926113425.db2.gz	CTXMMKSXSJGMEC-RXMQYKEDSA-N	-1	1	317.245	-1.313	20	0		DAADMM
COC(=O)C1(S(=O)(=O)[N-][C@]2(C(N)=O)CCOC2)CCC1	ZINC001414293597	926115779	/nfs/dbraw/zinc/11/57/79/926115779.db2.gz	PVFGFXLHXCCKKX-SNVBAGLBSA-N	-1	1	306.340	-1.354	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCO[C@H]([C@H](C)O)C2)[n-]n1	ZINC001414278560	926116310	/nfs/dbraw/zinc/11/63/10/926116310.db2.gz	QFRKZBQHCXTYJJ-CBAPKCEASA-N	-1	1	319.339	-1.033	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCO[C@H]([C@H](C)O)C2)n[n-]1	ZINC001414278560	926116316	/nfs/dbraw/zinc/11/63/16/926116316.db2.gz	QFRKZBQHCXTYJJ-CBAPKCEASA-N	-1	1	319.339	-1.033	20	0		DAADMM
CC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)C1	ZINC001414309495	926117209	/nfs/dbraw/zinc/11/72/09/926117209.db2.gz	MLRWQAGODJBTGU-MRVPVSSYSA-N	-1	1	316.339	-1.615	20	0		DAADMM
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1C(=O)NCC1(C)C	ZINC001414309891	926117613	/nfs/dbraw/zinc/11/76/13/926117613.db2.gz	SLOOITICZIHUEC-ULCDLSAGSA-N	-1	1	312.417	-1.080	20	0		DAADMM
NC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1	ZINC001414771555	926146260	/nfs/dbraw/zinc/14/62/60/926146260.db2.gz	CKLCADWDOMPOOG-MRVPVSSYSA-N	-1	1	307.310	-1.214	20	0		DAADMM
O=C(CCc1nc[nH]n1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001415114642	926163018	/nfs/dbraw/zinc/16/30/18/926163018.db2.gz	UEWCCEWPFUJDOU-UHFFFAOYSA-N	-1	1	306.330	-1.095	20	0		DAADMM
CCn1nncc1C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001415853282	926206795	/nfs/dbraw/zinc/20/67/95/926206795.db2.gz	CGQJPRCDRZSZJC-UHFFFAOYSA-N	-1	1	320.357	-1.322	20	0		DAADMM
COCCC(=O)N[C@H](C)CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001416779323	926275403	/nfs/dbraw/zinc/27/54/03/926275403.db2.gz	RABKTYRWWKBHNW-MRVPVSSYSA-N	-1	1	322.325	-1.311	20	0		DAADMM
CO[C@H](C)C(=O)N[C@@H](C)CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001416880051	926283781	/nfs/dbraw/zinc/28/37/81/926283781.db2.gz	RHOGTHWIDXCYDP-JGVFFNPUSA-N	-1	1	322.325	-1.313	20	0		DAADMM
CNC(=O)NCC(=O)N(C)C1CN(C(=O)c2ncccc2[O-])C1	ZINC001417252131	926309915	/nfs/dbraw/zinc/30/99/15/926309915.db2.gz	NIAHBGFNMGXZTO-UHFFFAOYSA-N	-1	1	321.337	-1.001	20	0		DAADMM
COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@H](c3nn[n-]n3)C2)O1	ZINC001417636123	926321950	/nfs/dbraw/zinc/32/19/50/926321950.db2.gz	SRQVJLWFZNHZKG-VGMNWLOBSA-N	-1	1	311.298	-1.180	20	0		DAADMM
NC(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1	ZINC001417636273	926323062	/nfs/dbraw/zinc/32/30/62/926323062.db2.gz	VLINOYOCIMLZOL-DTWKUNHWSA-N	-1	1	309.330	-1.110	20	0		DAADMM
O=C(CN1CCCC2(CC2)S1(=O)=O)NCc1nn[n-]n1	ZINC001417633425	926323095	/nfs/dbraw/zinc/32/30/95/926323095.db2.gz	FTFKVJHSOOVNLE-UHFFFAOYSA-N	-1	1	300.344	-1.226	20	0		DAADMM
CC(=O)OC[C@@H](CO)NC(=O)CNC(=O)c1ncccc1[O-]	ZINC001417712731	926330636	/nfs/dbraw/zinc/33/06/36/926330636.db2.gz	IQNCMDRGCDZQDX-SECBINFHSA-N	-1	1	311.294	-1.443	20	0		DAADMM
Cn1cc([C@@H](O)C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cn1	ZINC001417725765	926331444	/nfs/dbraw/zinc/33/14/44/926331444.db2.gz	INDWKRKMISZWBN-SECBINFHSA-N	-1	1	307.314	-1.523	20	0		DAADMM
O=C(C1CS(=O)(=O)C1)N1CCSC[C@H]1c1nn[n-]n1	ZINC001417719351	926331937	/nfs/dbraw/zinc/33/19/37/926331937.db2.gz	DCUIQIDYLWOWEQ-ZETCQYMHSA-N	-1	1	303.369	-1.139	20	0		DAADMM
O=C(CN1CCCNC1=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001417725607	926332195	/nfs/dbraw/zinc/33/21/95/926332195.db2.gz	BIHHFQPRXLVDRY-UHFFFAOYSA-N	-1	1	309.330	-1.575	20	0		DAADMM
O=C(C[C@H]1CCC(=O)NC1)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001417726105	926332228	/nfs/dbraw/zinc/33/22/28/926332228.db2.gz	VCCMRNKZUHVKKR-SECBINFHSA-N	-1	1	308.342	-1.074	20	0		DAADMM
C[C@@H](C(=O)N1CCC(O)(c2nn[n-]n2)CC1)S(C)(=O)=O	ZINC001417725858	926332465	/nfs/dbraw/zinc/33/24/65/926332465.db2.gz	LQAHLTPEVWWOPB-ZETCQYMHSA-N	-1	1	303.344	-1.557	20	0		DAADMM
CS(=O)(=O)CC(=O)N[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001418088364	926362738	/nfs/dbraw/zinc/36/27/38/926362738.db2.gz	OGJVQUXMAALOKN-KNVOCYPGSA-N	-1	1	303.344	-1.708	20	0		DAADMM
CCCS(=O)(=O)CC(=O)NC[C@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001418318964	926381952	/nfs/dbraw/zinc/38/19/52/926381952.db2.gz	YQGOFXROQQUHJD-QMMMGPOBSA-N	-1	1	319.387	-1.071	20	0		DAADMM
CCOC(=O)c1nc([C@H](C)NC(=O)CN2CCNC(=O)C2)n[n-]1	ZINC001418407689	926389050	/nfs/dbraw/zinc/38/90/50/926389050.db2.gz	XRZWDKPCMTYPJA-QMMMGPOBSA-N	-1	1	324.341	-1.410	20	0		DAADMM
CCOC(=O)c1nnc([C@H](C)NC(=O)CN2CCNC(=O)C2)[n-]1	ZINC001418407689	926389060	/nfs/dbraw/zinc/38/90/60/926389060.db2.gz	XRZWDKPCMTYPJA-QMMMGPOBSA-N	-1	1	324.341	-1.410	20	0		DAADMM
CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CN2CCNC(=O)C2)n1	ZINC001418407689	926389066	/nfs/dbraw/zinc/38/90/66/926389066.db2.gz	XRZWDKPCMTYPJA-QMMMGPOBSA-N	-1	1	324.341	-1.410	20	0		DAADMM
CN(CCNC(=O)C[C@@H]1CCNC1=O)Cc1nc(=O)n(C)[n-]1	ZINC001418469805	926393715	/nfs/dbraw/zinc/39/37/15/926393715.db2.gz	ZUQQMTFEYRAKCS-VIFPVBQESA-N	-1	1	310.358	-1.817	20	0		DAADMM
CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCc1nn[n-]n1	ZINC001418481467	926393912	/nfs/dbraw/zinc/39/39/12/926393912.db2.gz	BOSUZYVIHAQGQU-AWEZNQCLSA-N	-1	1	324.385	-1.136	20	0		DAADMM
CN(CCNC(=O)c1c[nH]c(=O)n1C)Cc1nc(=O)n(C)[n-]1	ZINC001418485470	926396353	/nfs/dbraw/zinc/39/63/53/926396353.db2.gz	APESSBNEKGBWMQ-UHFFFAOYSA-N	-1	1	309.330	-1.591	20	0		DAADMM
CN(CCNC(=O)c1cccc(=O)n1C)Cc1nc(=O)n(C)[n-]1	ZINC001418492558	926397342	/nfs/dbraw/zinc/39/73/42/926397342.db2.gz	LPMNLFTZISKCLK-UHFFFAOYSA-N	-1	1	320.353	-1.331	20	0		DAADMM
CNC(=O)CN(C)CCNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC	ZINC001418509872	926398595	/nfs/dbraw/zinc/39/85/95/926398595.db2.gz	CHXOFKIGZANDMN-UHFFFAOYSA-N	-1	1	313.314	-1.696	20	0		DAADMM
CCN(CCNC(=O)Cn1cccn1)Cc1nc(=O)n(C)[n-]1	ZINC001418537776	926401584	/nfs/dbraw/zinc/40/15/84/926401584.db2.gz	XRCMHGVBIUWEHF-UHFFFAOYSA-N	-1	1	307.358	-1.057	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001418582663	926406708	/nfs/dbraw/zinc/40/67/08/926406708.db2.gz	PHGRFFMQENCVFA-UWVGGRQHSA-N	-1	1	324.385	-1.347	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001418582664	926406736	/nfs/dbraw/zinc/40/67/36/926406736.db2.gz	PHGRFFMQENCVFA-VHSXEESVSA-N	-1	1	324.385	-1.347	20	0		DAADMM
CN(C(=O)c1cc(N2CCNC(=O)C2)ccn1)c1nn[n-]n1	ZINC001418616424	926410415	/nfs/dbraw/zinc/41/04/15/926410415.db2.gz	JTSSDPQEFFPAJX-UHFFFAOYSA-N	-1	1	302.298	-1.193	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)NC2=NCC(=O)N2C)o1	ZINC001418640819	926412790	/nfs/dbraw/zinc/41/27/90/926412790.db2.gz	PYFDBQHQCCTHDJ-UHFFFAOYSA-N	-1	1	300.296	-1.255	20	0		DAADMM
C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001418863159	926427818	/nfs/dbraw/zinc/42/78/18/926427818.db2.gz	JOYKRBMDKKCFDJ-HTQZYQBOSA-N	-1	1	303.344	-1.220	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CCn3ccnc3)C2)nc1=O	ZINC001418983175	926438748	/nfs/dbraw/zinc/43/87/48/926438748.db2.gz	JKLAHZHCPZZXGL-UHFFFAOYSA-N	-1	1	305.342	-1.304	20	0		DAADMM
CN(CC(=O)N1CCC(c2nn[n-]n2)CC1)S(C)(=O)=O	ZINC001418997683	926440924	/nfs/dbraw/zinc/44/09/24/926440924.db2.gz	NEAKQMIFBLXUPH-UHFFFAOYSA-N	-1	1	302.360	-1.203	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)Cn3cccn3)C2)nc1=O	ZINC001419014726	926443954	/nfs/dbraw/zinc/44/39/54/926443954.db2.gz	VTAAGZFDIVVZEI-UHFFFAOYSA-N	-1	1	305.342	-1.447	20	0		DAADMM
Cc1cnn(CC(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC001419013106	926444489	/nfs/dbraw/zinc/44/44/89/926444489.db2.gz	NDSTUUNONAERKM-UHFFFAOYSA-N	-1	1	319.369	-1.138	20	0		DAADMM
O=C(CN1CCCCS1(=O)=O)N1CC[C@H](c2nn[n-]n2)C1	ZINC001419042253	926446789	/nfs/dbraw/zinc/44/67/89/926446789.db2.gz	JIQNWNVMUHYCMB-VIFPVBQESA-N	-1	1	314.371	-1.059	20	0		DAADMM
CNC(=O)CCCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001419078542	926453813	/nfs/dbraw/zinc/45/38/13/926453813.db2.gz	XHRDLQKIMVSINR-SNVBAGLBSA-N	-1	1	324.385	-1.285	20	0		DAADMM
CC(=O)NCC(=O)N(C)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001419133611	926461020	/nfs/dbraw/zinc/46/10/20/926461020.db2.gz	ZEXQKFLIXVTMPI-JTQLQIEISA-N	-1	1	310.358	-1.723	20	0		DAADMM
CC(=O)NCC(=O)N(C)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001419133618	926461150	/nfs/dbraw/zinc/46/11/50/926461150.db2.gz	ZEXQKFLIXVTMPI-SNVBAGLBSA-N	-1	1	310.358	-1.723	20	0		DAADMM
O=C(NC1(c2nn[n-]n2)CCC1)C1=NN(CCO)C(=O)CC1	ZINC001419160721	926462481	/nfs/dbraw/zinc/46/24/81/926462481.db2.gz	JNMGRXVPJRWOQZ-UHFFFAOYSA-N	-1	1	307.314	-1.334	20	0		DAADMM
O=C(NC[C@H](NCc1n[nH]c(=O)[n-]1)C1CC1)[C@@H]1COCCO1	ZINC001419233066	926468539	/nfs/dbraw/zinc/46/85/39/926468539.db2.gz	IZLIYASMTLENGX-UWVGGRQHSA-N	-1	1	311.342	-1.090	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)CNC(=O)C1CS(=O)(=O)C1	ZINC001419457544	926478066	/nfs/dbraw/zinc/47/80/66/926478066.db2.gz	BEYXEUSXIYQIQH-ZETCQYMHSA-N	-1	1	317.371	-1.603	20	0		DAADMM
COC[C@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1)c1nn[n-]n1	ZINC001419552355	926484889	/nfs/dbraw/zinc/48/48/89/926484889.db2.gz	LOAFWZKKMGZQJD-BZNPZCIMSA-N	-1	1	313.314	-1.030	20	0		DAADMM
C[C@@H](CNC(=O)CCCS(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001419877357	926506882	/nfs/dbraw/zinc/50/68/82/926506882.db2.gz	WVXZUEIIQSKBTM-QMMMGPOBSA-N	-1	1	319.387	-1.071	20	0		DAADMM
C[C@H](CNC(=O)CCCS(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001419877353	926507273	/nfs/dbraw/zinc/50/72/73/926507273.db2.gz	WVXZUEIIQSKBTM-MRVPVSSYSA-N	-1	1	319.387	-1.071	20	0		DAADMM
CN(CCN(C)C(=O)[C@@H]1CCC(=O)N1C)Cc1nc(=O)n(C)[n-]1	ZINC001419997448	926514691	/nfs/dbraw/zinc/51/46/91/926514691.db2.gz	PXOJBSHRXIJSCZ-JTQLQIEISA-N	-1	1	324.385	-1.381	20	0		DAADMM
C[C@@H](CCNC(=O)C1CS(=O)(=O)C1)NCc1n[nH]c(=O)[n-]1	ZINC001420111958	926527820	/nfs/dbraw/zinc/52/78/20/926527820.db2.gz	OWXJDVWBBFJHSC-ZETCQYMHSA-N	-1	1	317.371	-1.461	20	0		DAADMM
CC(=O)NC(C)(C)C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001420307507	926580064	/nfs/dbraw/zinc/58/00/64/926580064.db2.gz	OUAPGDCBBPTKEU-UHFFFAOYSA-N	-1	1	312.374	-1.429	20	0		DAADMM
CCN(CCNC(=O)c1cnnn1CC)Cc1nc(=O)n(C)[n-]1	ZINC001420381021	926587443	/nfs/dbraw/zinc/58/74/43/926587443.db2.gz	KULCUXDKVHTLBG-UHFFFAOYSA-N	-1	1	322.373	-1.028	20	0		DAADMM
CCN(CCNC(=O)c1nnn(C)n1)Cc1nc(=O)n(C)[n-]1	ZINC001420416643	926589184	/nfs/dbraw/zinc/58/91/84/926589184.db2.gz	LJOCSFAWGFPYEZ-UHFFFAOYSA-N	-1	1	309.334	-2.116	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C[C@H]1CCN(C)C1=O	ZINC001420430967	926592385	/nfs/dbraw/zinc/59/23/85/926592385.db2.gz	JKBSJWMWMYMJTC-DTWKUNHWSA-N	-1	1	310.358	-1.027	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H]2CNC(=O)CCCC(N)=O)nc1=O	ZINC001420509836	926597565	/nfs/dbraw/zinc/59/75/65/926597565.db2.gz	YBQLFLNQXXNEKO-JTQLQIEISA-N	-1	1	324.385	-1.155	20	0		DAADMM
CC(=O)N1CC(C(=O)N[C@@H](C)CN(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001420577789	926604664	/nfs/dbraw/zinc/60/46/64/926604664.db2.gz	SMDIMGMEBVLQKH-VIFPVBQESA-N	-1	1	324.385	-1.477	20	0		DAADMM
CNC(=O)[C@H](O)CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C	ZINC001420922165	926626927	/nfs/dbraw/zinc/62/69/27/926626927.db2.gz	ZPGIEPCHCRWGIF-SNVBAGLBSA-N	-1	1	321.337	-1.183	20	0		DAADMM
CN(C(=O)CCn1ccnn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001421059963	926639520	/nfs/dbraw/zinc/63/95/20/926639520.db2.gz	OZJKVXAYWJOJKI-UHFFFAOYSA-N	-1	1	320.357	-1.567	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N[C@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001421219279	926657168	/nfs/dbraw/zinc/65/71/68/926657168.db2.gz	KAYMWXLHFLHGBI-YMTOWFKASA-N	-1	1	324.385	-1.300	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3C3CC3)C2)nc1=O	ZINC001421477197	926712479	/nfs/dbraw/zinc/71/24/79/926712479.db2.gz	NTJHIODTIVSDFJ-WDEREUQCSA-N	-1	1	321.381	-1.183	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@H](CNC(=O)C(F)F)C2)nc1=O	ZINC001421780768	926753183	/nfs/dbraw/zinc/75/31/83/926753183.db2.gz	FHRKGYJUEZHEQE-SSDOTTSWSA-N	-1	1	305.285	-1.310	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)C[C@H]1CCNC1=O	ZINC001421911539	926771562	/nfs/dbraw/zinc/77/15/62/926771562.db2.gz	VXPXDEABEFHBHQ-RKDXNWHRSA-N	-1	1	310.358	-1.027	20	0		DAADMM
CN(CCN(C)C(=O)c1cnn(C)n1)Cc1nc(=O)n(C)[n-]1	ZINC001422206232	926800517	/nfs/dbraw/zinc/80/05/17/926800517.db2.gz	ORHMYKXBEZRQRT-UHFFFAOYSA-N	-1	1	308.346	-1.559	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)NC[C@H](C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001422483970	926876667	/nfs/dbraw/zinc/87/66/67/926876667.db2.gz	UBJZSGFCUWRHNR-DTWKUNHWSA-N	-1	1	312.374	-1.431	20	0		DAADMM
Cc1nn[nH]c1C(=O)N[C@@H](C)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001422867021	926924770	/nfs/dbraw/zinc/92/47/70/926924770.db2.gz	WHGRSPZLOOFJBL-ZETCQYMHSA-N	-1	1	308.346	-1.215	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)CN2CCOCC2)nc1=O	ZINC001423073501	926943696	/nfs/dbraw/zinc/94/36/96/926943696.db2.gz	JSAVLFDITPPLKZ-NSHDSACASA-N	-1	1	324.385	-1.869	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)[C@@H]2CC2(F)F)nc1=O	ZINC001423209674	926970235	/nfs/dbraw/zinc/97/02/35/926970235.db2.gz	KTENHXMUJGPZBB-BQBZGAKWSA-N	-1	1	305.285	-1.670	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)[C@@H]2CC2(F)F)nc1=O	ZINC001423209707	926970530	/nfs/dbraw/zinc/97/05/30/926970530.db2.gz	KTENHXMUJGPZBB-RQJHMYQMSA-N	-1	1	305.285	-1.670	20	0		DAADMM
CNC(=O)CNC1(CNC(=O)c2c[n-]n3c2nccc3=O)CC1	ZINC001423266227	927007218	/nfs/dbraw/zinc/00/72/18/927007218.db2.gz	ISAASUHLACEMTR-UHFFFAOYSA-N	-1	1	318.337	-1.379	20	0		DAADMM
COC[C@@H](C)C(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001423439379	927051893	/nfs/dbraw/zinc/05/18/93/927051893.db2.gz	VNWWSIUZIPTBBD-BDAKNGLRSA-N	-1	1	301.347	-1.298	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1cncnc1	ZINC001423450299	927057806	/nfs/dbraw/zinc/05/78/06/927057806.db2.gz	VUIYPQXDFIZLQT-VIFPVBQESA-N	-1	1	307.314	-1.477	20	0		DAADMM
COCC1(C(=O)N(C)C[C@H](O)CNCc2n[nH]c(=O)[n-]2)CC1	ZINC001423456083	927061472	/nfs/dbraw/zinc/06/14/72/927061472.db2.gz	JXANQCREEWRMML-SECBINFHSA-N	-1	1	313.358	-1.154	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)[C@@H]3CCOC3)C2)nc1=O	ZINC001423817296	927140131	/nfs/dbraw/zinc/14/01/31/927140131.db2.gz	ZKBKNTDTBOOIKU-SECBINFHSA-N	-1	1	311.342	-2.192	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H](CO)[C@H]2CCOC2)c(=O)[nH]c1=O	ZINC001423894558	927165518	/nfs/dbraw/zinc/16/55/18/927165518.db2.gz	KUJOKSYLTSPTIS-YUMQZZPRSA-N	-1	1	319.339	-1.838	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H](CO)[C@@H]2CCOC2)c(=O)[nH]c1=O	ZINC001423894551	927165589	/nfs/dbraw/zinc/16/55/89/927165589.db2.gz	KUJOKSYLTSPTIS-HTQZYQBOSA-N	-1	1	319.339	-1.838	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCC2CC(O)C2)c(=O)[nH]c1=O	ZINC001423957653	927176285	/nfs/dbraw/zinc/17/62/85/927176285.db2.gz	JLTUCKAMFPEWRG-UHFFFAOYSA-N	-1	1	303.340	-1.075	20	0		DAADMM
C[C@@H]1OCC[C@]1(O)C[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C	ZINC001423994907	927178349	/nfs/dbraw/zinc/17/83/49/927178349.db2.gz	BPAXMPRQKDNBQV-VXAXSWHGSA-N	-1	1	315.417	-1.065	20	0		DAADMM
CC(C)[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)C(N)=O	ZINC001424149801	927202671	/nfs/dbraw/zinc/20/26/71/927202671.db2.gz	KGHFJBVTEVQPIR-GJEGPGMTSA-N	-1	1	300.406	-1.095	20	0		DAADMM
COCC(COC)S(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1O	ZINC001424504076	927240133	/nfs/dbraw/zinc/24/01/33/927240133.db2.gz	WEDNEZZICKSWHI-RKDXNWHRSA-N	-1	1	317.385	-2.275	20	0		DAADMM
COC(=O)C1([N-]S(=O)(=O)[C@@H]2COC[C@H]2O)CC(CO)C1	ZINC001424878110	927260743	/nfs/dbraw/zinc/26/07/43/927260743.db2.gz	QYXSKFKBKQCHLX-VCZAYRLQSA-N	-1	1	309.340	-2.020	20	0		DAADMM
C[C@H](CNC(=O)[C@H]1COC(=O)N1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001424926898	927263241	/nfs/dbraw/zinc/26/32/41/927263241.db2.gz	GGYZKZATTHTWSY-HTQZYQBOSA-N	-1	1	312.330	-1.847	20	0		DAADMM
C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001424926907	927265974	/nfs/dbraw/zinc/26/59/74/927265974.db2.gz	GGYZKZATTHTWSY-YUMQZZPRSA-N	-1	1	312.330	-1.847	20	0		DAADMM
C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001424980170	927266674	/nfs/dbraw/zinc/26/66/74/927266674.db2.gz	MSJLVDZETPHDFQ-UXCLJVHYSA-N	-1	1	309.370	-1.063	20	0		DAADMM
COC[C@H](OC)C(=O)NC[C@H](C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001425006025	927269464	/nfs/dbraw/zinc/26/94/64/927269464.db2.gz	OLEGTIZZCLGONI-UWVGGRQHSA-N	-1	1	315.374	-1.294	20	0		DAADMM
CC(=O)NCC(=O)N[C@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001425205094	927290836	/nfs/dbraw/zinc/29/08/36/927290836.db2.gz	RCDCVEJGEOYKEQ-MRVPVSSYSA-N	-1	1	310.358	-1.819	20	0		DAADMM
C[C@H](CN(C)C(=O)[C@H]1CCC(=O)NC1)NCc1n[nH]c(=O)[n-]1	ZINC001425596251	927397879	/nfs/dbraw/zinc/39/78/79/927397879.db2.gz	IFPXXOYSNSGJNR-BDAKNGLRSA-N	-1	1	310.358	-1.027	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)[C@]23C[C@H]2CCC3)nc1=O	ZINC001425774704	927440446	/nfs/dbraw/zinc/44/04/46/927440446.db2.gz	BKSBSLITEPUAIP-GPCCPHFNSA-N	-1	1	309.370	-1.135	20	0		DAADMM
CC[C@H](OC)C(=O)N(C)C[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001425980308	927494029	/nfs/dbraw/zinc/49/40/29/927494029.db2.gz	JEHXLTBWPKRNAO-BDAKNGLRSA-N	-1	1	301.347	-1.156	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1ncccn1	ZINC001426028155	927512086	/nfs/dbraw/zinc/51/20/86/927512086.db2.gz	SNDHJTISJHGDJZ-MRVPVSSYSA-N	-1	1	307.314	-1.477	20	0		DAADMM
CCn1ccc(C(=O)N(C)C[C@H](O)CNCc2n[nH]c(=O)[n-]2)n1	ZINC001426033757	927512771	/nfs/dbraw/zinc/51/27/71/927512771.db2.gz	LZMRUITUGAJBPA-SECBINFHSA-N	-1	1	323.357	-1.051	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@H](O)CN(C)C(=O)c1cn[nH]n1	ZINC001426102191	927530802	/nfs/dbraw/zinc/53/08/02/927530802.db2.gz	ZDEROUACELVIAC-QMMMGPOBSA-N	-1	1	324.345	-2.209	20	0		DAADMM
COCC1(C(=O)N2CC[C@H](NC(=O)c3cnn[nH]3)[C@H](O)C2)CC1	ZINC001427102141	927595328	/nfs/dbraw/zinc/59/53/28/927595328.db2.gz	OAZWZUXPNZLBMD-GXSJLCMTSA-N	-1	1	323.353	-1.077	20	0		DAADMM
O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H]1COC[C@@H]1O	ZINC001428172380	927745253	/nfs/dbraw/zinc/74/52/53/927745253.db2.gz	UELPECRLJNXVOD-ZJUUUORDSA-N	-1	1	310.310	-1.186	20	0		DAADMM
CO[C@H](C)C(=O)NC1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001432205213	928115786	/nfs/dbraw/zinc/11/57/86/928115786.db2.gz	IPASDEXWQXGBGS-SSDOTTSWSA-N	-1	1	320.309	-1.607	20	0		DAADMM
O=C(CN1CCC(=O)NC1=O)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001433663444	928249824	/nfs/dbraw/zinc/24/98/24/928249824.db2.gz	JSIYJMRRBXTDAR-SSDOTTSWSA-N	-1	1	309.286	-1.959	20	0		DAADMM
CN1CCN(C)[C@H](CNC(=O)CSc2n[nH]c(=O)[n-]2)C1	ZINC001433694598	928253011	/nfs/dbraw/zinc/25/30/11/928253011.db2.gz	MUGDVZSRCVVEEL-MRVPVSSYSA-N	-1	1	300.388	-1.036	20	0		DAADMM
NC(=O)NCC(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-]	ZINC001433716162	928255199	/nfs/dbraw/zinc/25/51/99/928255199.db2.gz	VWXDHISPNZYIGG-QMMMGPOBSA-N	-1	1	307.310	-1.214	20	0		DAADMM
CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)CCc1nn[n-]n1	ZINC001433802369	928264707	/nfs/dbraw/zinc/26/47/07/928264707.db2.gz	AYCIHTNQIIZGMF-IUCAKERBSA-N	-1	1	316.387	-1.034	20	0		DAADMM
CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CCc1nn[n-]n1	ZINC001433802385	928264907	/nfs/dbraw/zinc/26/49/07/928264907.db2.gz	AYCIHTNQIIZGMF-RKDXNWHRSA-N	-1	1	316.387	-1.034	20	0		DAADMM
CN(C)S(=O)(=O)NCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC001433930618	928282142	/nfs/dbraw/zinc/28/21/42/928282142.db2.gz	MFZMDGHROZLBNN-MRVPVSSYSA-N	-1	1	317.375	-1.698	20	0		DAADMM
C[C@H](CS(C)(=O)=O)C(=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001433936977	928282885	/nfs/dbraw/zinc/28/28/85/928282885.db2.gz	MEIGTZPQHFHHTL-MRVPVSSYSA-N	-1	1	317.371	-1.310	20	0		DAADMM
CCC(CC)(NC(=O)Cn1ccc(=O)n(C)c1=O)c1nn[n-]n1	ZINC001433970927	928286708	/nfs/dbraw/zinc/28/67/08/928286708.db2.gz	YVLTWVRPMXWRAL-UHFFFAOYSA-N	-1	1	321.341	-1.108	20	0		DAADMM
COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@H]2c2nn[n-]n2)O1	ZINC001434276577	928324562	/nfs/dbraw/zinc/32/45/62/928324562.db2.gz	OHOGIQXVKZRQEY-YIZRAAEISA-N	-1	1	311.298	-1.180	20	0		DAADMM
O=C(CN1CCNC(=O)C1)NCc1nc2c(c(=O)[n-]1)COCC2	ZINC001434308246	928327661	/nfs/dbraw/zinc/32/76/61/928327661.db2.gz	FYLVMQDIKXVWQU-UHFFFAOYSA-N	-1	1	321.337	-1.697	20	0		DAADMM
COC[C@H](NC(=O)CNC(=O)c1ccncc1)c1nn[n-]n1	ZINC001434364943	928341702	/nfs/dbraw/zinc/34/17/02/928341702.db2.gz	UQBNGUSZDIWAGY-VIFPVBQESA-N	-1	1	305.298	-1.172	20	0		DAADMM
COC(=O)[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(C)C	ZINC001434542545	928362410	/nfs/dbraw/zinc/36/24/10/928362410.db2.gz	YNUXRLIUJNJTEW-QMMMGPOBSA-N	-1	1	319.339	-1.038	20	0		DAADMM
C[C@H](C[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)S(C)(=O)=O	ZINC001434556837	928363494	/nfs/dbraw/zinc/36/34/94/928363494.db2.gz	LJKDBTYAONNFPT-IWEMQMMOSA-N	-1	1	321.446	-1.172	20	0		DAADMM
C[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC001434655063	928375204	/nfs/dbraw/zinc/37/52/04/928375204.db2.gz	PJPRIQFJXHSLJM-QMMMGPOBSA-N	-1	1	319.383	-1.231	20	0		DAADMM
Cn1cc(CC(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)cn1	ZINC001434853689	928388830	/nfs/dbraw/zinc/38/88/30/928388830.db2.gz	GEFHFISJVYQXFU-UHFFFAOYSA-N	-1	1	319.369	-1.271	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)CCn3cncn3)CC2)nc1=O	ZINC001434853372	928389993	/nfs/dbraw/zinc/38/99/93/928389993.db2.gz	FVDMYDPCEAYEMB-UHFFFAOYSA-N	-1	1	320.357	-1.566	20	0		DAADMM
Cn1cnc(C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)c1	ZINC001434860310	928390072	/nfs/dbraw/zinc/39/00/72/928390072.db2.gz	XSOPNUYSVJWVFF-UHFFFAOYSA-N	-1	1	305.342	-1.200	20	0		DAADMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)Cn1cncn1	ZINC001436334700	928393961	/nfs/dbraw/zinc/39/39/61/928393961.db2.gz	YHFRGXGASVMQKA-SNVBAGLBSA-N	-1	1	320.357	-1.567	20	0		DAADMM
CC(=O)NCC(=O)NC[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001436984486	928421859	/nfs/dbraw/zinc/42/18/59/928421859.db2.gz	JLRXGBKEJKVRDK-LLVKDONJSA-N	-1	1	324.385	-1.427	20	0		DAADMM
C[C@H](CNC(=O)[C@@H]1CCc2nncn2C1)NCc1n[nH]c(=O)[n-]1	ZINC001437260932	928441751	/nfs/dbraw/zinc/44/17/51/928441751.db2.gz	JOYXOCBONPUSPO-RKDXNWHRSA-N	-1	1	320.357	-1.041	20	0		DAADMM
CCN(CCNC(=O)[C@H]1CCC(=O)NC1)Cc1nc(=O)n(C)[n-]1	ZINC001437603519	928466098	/nfs/dbraw/zinc/46/60/98/928466098.db2.gz	PTUUVSZZPJFEFQ-JTQLQIEISA-N	-1	1	324.385	-1.427	20	0		DAADMM
O=C(Cc1nnc[nH]1)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1	ZINC001437812896	928479781	/nfs/dbraw/zinc/47/97/81/928479781.db2.gz	CUWWPFMUJCVKJL-UHFFFAOYSA-N	-1	1	306.330	-1.048	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)CNC(=O)C1CC1	ZINC001438641776	928529389	/nfs/dbraw/zinc/52/93/89/928529389.db2.gz	QLDHNKLRKNWKPH-MRVPVSSYSA-N	-1	1	310.358	-1.027	20	0		DAADMM
O=C(NC[C@H](O)CNCc1n[nH]c(=O)[n-]1)[C@H]1C[C@@H]1C(F)F	ZINC001438988483	928558517	/nfs/dbraw/zinc/55/85/17/928558517.db2.gz	ZSXQSOHSSQLIRH-VQVTYTSYSA-N	-1	1	305.285	-1.022	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)CN1CCOCC1=O	ZINC001439120881	928598631	/nfs/dbraw/zinc/59/86/31/928598631.db2.gz	BOXNDMIAVZAFFW-MRVPVSSYSA-N	-1	1	312.330	-2.037	20	0		DAADMM
CCN1C[C@H](C(=O)N[C@H](C)CNCc2n[nH]c(=O)[n-]2)CC1=O	ZINC001439115583	928600165	/nfs/dbraw/zinc/60/01/65/928600165.db2.gz	QINDMRALDDSQJT-RKDXNWHRSA-N	-1	1	310.358	-1.027	20	0		DAADMM
CCCS(=O)(=O)CC(=O)N[C@@H](C)CNCc1n[nH]c(=O)[n-]1	ZINC001439281005	928610186	/nfs/dbraw/zinc/61/01/86/928610186.db2.gz	CORTVQRYRIYUCS-QMMMGPOBSA-N	-1	1	319.387	-1.071	20	0		DAADMM
CC(=O)N(C)CC(=O)N[C@H](C)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001439301372	928614345	/nfs/dbraw/zinc/61/43/45/928614345.db2.gz	UXMMUAINVFYOGD-SECBINFHSA-N	-1	1	312.374	-1.477	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)Cc2ncc[nH]2)nc1=O	ZINC001439559670	928631008	/nfs/dbraw/zinc/63/10/08/928631008.db2.gz	MAIWQHGHGBLIKV-VIFPVBQESA-N	-1	1	305.342	-1.235	20	0		DAADMM
CN(C(=O)CNC(=O)C1CC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001439717782	928638507	/nfs/dbraw/zinc/63/85/07/928638507.db2.gz	RMRWXZOGIHJDBJ-UHFFFAOYSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CCC(=O)N[C@@H](C)C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001439727911	928639621	/nfs/dbraw/zinc/63/96/21/928639621.db2.gz	YMKGZNJULSUTGT-VIFPVBQESA-N	-1	1	324.385	-1.334	20	0		DAADMM
C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)c1cc(=O)n(C)cn1	ZINC001440809730	928746200	/nfs/dbraw/zinc/74/62/00/928746200.db2.gz	SSMSWFJARYBMSE-YUMQZZPRSA-N	-1	1	321.341	-1.099	20	0		DAADMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H](C)NC(=O)CS(C)(=O)=O	ZINC001440785079	928746458	/nfs/dbraw/zinc/74/64/58/928746458.db2.gz	XQJHUHBZDHJHHX-RNFRBKRXSA-N	-1	1	305.360	-1.462	20	0		DAADMM
C[C@@H](NC(=O)C1CS(=O)(=O)C1)[C@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001440818118	928746723	/nfs/dbraw/zinc/74/67/23/928746723.db2.gz	ZRLLRFHDRSUFKL-NKWVEPMBSA-N	-1	1	317.371	-1.462	20	0		DAADMM
Cn1[n-]c(CN2CC(CCO)(NC(=O)C(C)(F)F)C2)nc1=O	ZINC001441021281	928754022	/nfs/dbraw/zinc/75/40/22/928754022.db2.gz	XYNHCRVFUARJDA-UHFFFAOYSA-N	-1	1	319.312	-1.183	20	0		DAADMM
CCOCC(=O)NC1(CCO)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001441021120	928754167	/nfs/dbraw/zinc/75/41/67/928754167.db2.gz	PFMYRWRPZSGBOP-UHFFFAOYSA-N	-1	1	313.358	-1.802	20	0		DAADMM
O=C(NC[C@@H](NCc1n[nH]c(=O)[n-]1)C1CC1)[C@H]1CCC(=O)N1	ZINC001441181148	928772686	/nfs/dbraw/zinc/77/26/86/928772686.db2.gz	ZPHXSCJVFOLLAF-RKDXNWHRSA-N	-1	1	308.342	-1.227	20	0		DAADMM
Cn1nncc1C(=O)NC[C@@H](NCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001441200264	928773059	/nfs/dbraw/zinc/77/30/59/928773059.db2.gz	DFFHWPWSBNEBEH-MRVPVSSYSA-N	-1	1	306.330	-1.063	20	0		DAADMM
C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)NCc1n[nH]c(=O)[n-]1	ZINC001441526570	928794314	/nfs/dbraw/zinc/79/43/14/928794314.db2.gz	ULCOGIDKRRDNSA-BDAKNGLRSA-N	-1	1	310.358	-1.075	20	0		DAADMM
C[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)NCc1n[nH]c(=O)[n-]1	ZINC001441526576	928795734	/nfs/dbraw/zinc/79/57/34/928795734.db2.gz	ULCOGIDKRRDNSA-IUCAKERBSA-N	-1	1	310.358	-1.075	20	0		DAADMM
COCC(=O)NC[C@@H](CO)NCc1cc(=O)n2[n-]ccc2n1	ZINC001441640789	928802783	/nfs/dbraw/zinc/80/27/83/928802783.db2.gz	DECQVXDRZDAJJB-JTQLQIEISA-N	-1	1	309.326	-1.764	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)CCc2ccoc2)nc1=O	ZINC001441672876	928812896	/nfs/dbraw/zinc/81/28/96/928812896.db2.gz	QOGXXCDTSPKKHW-NSHDSACASA-N	-1	1	323.353	-1.099	20	0		DAADMM
Cc1cnoc1C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001441769034	928856669	/nfs/dbraw/zinc/85/66/69/928856669.db2.gz	GXHKYCRLGSWZOW-QMMMGPOBSA-N	-1	1	310.314	-1.715	20	0		DAADMM
COCC(=O)N(C)CC(=O)NC[C@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001441874131	928877752	/nfs/dbraw/zinc/87/77/52/928877752.db2.gz	QUEVEQLRUBFZDZ-QMMMGPOBSA-N	-1	1	314.346	-1.791	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)C[C@@H]1CCOC1	ZINC001441957047	928887240	/nfs/dbraw/zinc/88/72/40/928887240.db2.gz	GOGPEAJROIYVTQ-VHSXEESVSA-N	-1	1	313.358	-1.154	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CCCOC1	ZINC001441973446	928893624	/nfs/dbraw/zinc/89/36/24/928893624.db2.gz	WIIYETYGAAZHQV-VHSXEESVSA-N	-1	1	313.358	-1.154	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CCCOC1	ZINC001441973444	928894054	/nfs/dbraw/zinc/89/40/54/928894054.db2.gz	WIIYETYGAAZHQV-UWVGGRQHSA-N	-1	1	313.358	-1.154	20	0		DAADMM
CO[C@H](C(=O)N(C)C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001442001418	928906092	/nfs/dbraw/zinc/90/60/92/928906092.db2.gz	TUQCBWGOXHAXCA-KOLCDFICSA-N	-1	1	313.358	-1.156	20	0		DAADMM
C[C@@H](CNC(=O)[C@@H]1CCCS1(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001442057282	928918941	/nfs/dbraw/zinc/91/89/41/928918941.db2.gz	VDVLFTMXKQUSII-YUMQZZPRSA-N	-1	1	317.371	-1.318	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@H](O)CN(C)C(=O)c1nc[nH]n1	ZINC001442089007	928927141	/nfs/dbraw/zinc/92/71/41/928927141.db2.gz	DQOPZTCRQJKLAL-QMMMGPOBSA-N	-1	1	324.345	-2.209	20	0		DAADMM
Cc1nc[nH]c(=O)c1C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001442481770	928947807	/nfs/dbraw/zinc/94/78/07/928947807.db2.gz	DVZOGLWKJXGTKB-UHFFFAOYSA-N	-1	1	321.341	-1.226	20	0		DAADMM
CCN(CCNC(=O)[C@H]1CCC(=O)N1)Cc1nc(=O)n(C)[n-]1	ZINC001442635817	928958252	/nfs/dbraw/zinc/95/82/52/928958252.db2.gz	DTUOAWINEYXWQU-SECBINFHSA-N	-1	1	310.358	-1.675	20	0		DAADMM
CCN(CCNC(=O)CNC(=O)NC)Cc1nc(=O)n(C)[n-]1	ZINC001442678787	928962022	/nfs/dbraw/zinc/96/20/22/928962022.db2.gz	MSJZOQROJLPUKI-UHFFFAOYSA-N	-1	1	313.362	-2.025	20	0		DAADMM
O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001443448675	929004600	/nfs/dbraw/zinc/00/46/00/929004600.db2.gz	KQVMVVGOEMUYHE-IUCAKERBSA-N	-1	1	315.355	-1.076	20	0		DAADMM
O=C(C[C@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001443448676	929004786	/nfs/dbraw/zinc/00/47/86/929004786.db2.gz	KQVMVVGOEMUYHE-RKDXNWHRSA-N	-1	1	315.355	-1.076	20	0		DAADMM
Cc1cc(OCC(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)no1	ZINC001443480315	929006762	/nfs/dbraw/zinc/00/67/62/929006762.db2.gz	JNABRCMDQQZJAS-UHFFFAOYSA-N	-1	1	322.325	-1.216	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[n-]1	ZINC001443662728	929022110	/nfs/dbraw/zinc/02/21/10/929022110.db2.gz	KMIGEKSHTPGWGB-GUBZILKMSA-N	-1	1	322.369	-1.595	20	0		DAADMM
CC[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)NCc1n[nH]c(=O)[n-]1	ZINC001443972201	929037573	/nfs/dbraw/zinc/03/75/73/929037573.db2.gz	WLEPVZPVONVDCA-HTQZYQBOSA-N	-1	1	311.346	-1.482	20	0		DAADMM
O=C(N[C@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1ncccc1[O-]	ZINC001444274877	929100936	/nfs/dbraw/zinc/10/09/36/929100936.db2.gz	MQQPGMDIIXFJJE-UXCLJVHYSA-N	-1	1	321.333	-1.114	20	0		DAADMM
Cn1ncnc1CNC[C@H](O)CNC(=O)c1ncccc1[O-]	ZINC001445144794	929168694	/nfs/dbraw/zinc/16/86/94/929168694.db2.gz	FKQZBUZZOFLVJH-VIFPVBQESA-N	-1	1	306.326	-1.204	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1nccnc1N	ZINC001445688716	929252756	/nfs/dbraw/zinc/25/27/56/929252756.db2.gz	PKCKBHPKLGXHBX-QMMMGPOBSA-N	-1	1	320.357	-1.269	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@H](C)n1cncn1	ZINC001445715182	929253068	/nfs/dbraw/zinc/25/30/68/929253068.db2.gz	WYGBHYCYHLBPTN-UWVGGRQHSA-N	-1	1	322.373	-1.102	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)Cn1cncn1	ZINC001445859394	929263003	/nfs/dbraw/zinc/26/30/03/929263003.db2.gz	LCTZOKPCKGMWKM-VIFPVBQESA-N	-1	1	308.346	-1.663	20	0		DAADMM
CN1C[C@@H](C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)NC1=O	ZINC001445962782	929265553	/nfs/dbraw/zinc/26/55/53/929265553.db2.gz	ULWCIONZXWEYCB-IUCAKERBSA-N	-1	1	323.357	-1.482	20	0		DAADMM
CCC(=O)NCC(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001446020190	929268699	/nfs/dbraw/zinc/26/86/99/929268699.db2.gz	QPGWUYBNXZUFDK-VIFPVBQESA-N	-1	1	310.358	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)C[C@@H]2CCNC2=O)nc1=O	ZINC001446056269	929269953	/nfs/dbraw/zinc/26/99/53/929269953.db2.gz	PNJYYNDOXYEILH-UWVGGRQHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
COC(=O)NCC(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001446348659	929285935	/nfs/dbraw/zinc/28/59/35/929285935.db2.gz	GVMUOQZMTWUSNF-UHFFFAOYSA-N	-1	1	312.330	-1.893	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](C)(NC(=O)Cn3cncn3)C2)nc1=O	ZINC001446558503	929297822	/nfs/dbraw/zinc/29/78/22/929297822.db2.gz	JWQXHHHCZGGBNO-ZDUSSCGKSA-N	-1	1	320.357	-1.519	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](O)(CNC(=O)[C@H]3CC34CC4)C2)nc1=O	ZINC001446781541	929319589	/nfs/dbraw/zinc/31/95/89/929319589.db2.gz	BABJTMZTSXSLMH-MEBBXXQBSA-N	-1	1	321.381	-1.039	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](O)(CNC(=O)[C@@H]3CC34CC4)C2)nc1=O	ZINC001446781546	929320684	/nfs/dbraw/zinc/32/06/84/929320684.db2.gz	BABJTMZTSXSLMH-ZUZCIYMTSA-N	-1	1	321.381	-1.039	20	0		DAADMM
O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CCC1)[C@H]1CCC(=O)N1	ZINC001447189473	929375372	/nfs/dbraw/zinc/37/53/72/929375372.db2.gz	APQPNIQIFYGVDV-MRVPVSSYSA-N	-1	1	308.342	-1.083	20	0		DAADMM
COCC(=O)NC[C@@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001447756443	929409781	/nfs/dbraw/zinc/40/97/81/929409781.db2.gz	CTSVJOYKYABBFV-SSDOTTSWSA-N	-1	1	308.298	-1.702	20	0		DAADMM
COCC(=O)NC[C@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001447756446	929410627	/nfs/dbraw/zinc/41/06/27/929410627.db2.gz	CTSVJOYKYABBFV-ZETCQYMHSA-N	-1	1	308.298	-1.702	20	0		DAADMM
C[C@@H](CNC(=O)C[C@H]1CCNC1=O)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001448031915	929424967	/nfs/dbraw/zinc/42/49/67/929424967.db2.gz	IDKJSJGIIYYBAI-VHSXEESVSA-N	-1	1	324.385	-1.429	20	0		DAADMM
NS(=O)(=O)C1(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)CC1	ZINC001448132433	929433012	/nfs/dbraw/zinc/43/30/12/929433012.db2.gz	YLPGIJSJLDTCDX-SSDOTTSWSA-N	-1	1	300.344	-1.273	20	0		DAADMM
CC[C@@H](OC)C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001448823917	929482356	/nfs/dbraw/zinc/48/23/56/929482356.db2.gz	JLYJUKZBJAEUFD-RKDXNWHRSA-N	-1	1	301.347	-1.900	20	0		DAADMM
CO[C@@H](C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1)C1CC1	ZINC001448822987	929482941	/nfs/dbraw/zinc/48/29/41/929482941.db2.gz	GNYTYSFBARAGLB-GXSJLCMTSA-N	-1	1	313.358	-1.900	20	0		DAADMM
Cc1ccncc1C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001448831798	929486694	/nfs/dbraw/zinc/48/66/94/929486694.db2.gz	MEACYKBSEHMRBP-SNVBAGLBSA-N	-1	1	320.353	-1.308	20	0		DAADMM
CN(C[C@H](O)CNCc1nnn(C)n1)C(=O)c1ncccc1[O-]	ZINC001449116982	929544476	/nfs/dbraw/zinc/54/44/76/929544476.db2.gz	VQUHYHJQFATARW-SECBINFHSA-N	-1	1	321.341	-1.467	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1csnn1	ZINC001449127317	929546694	/nfs/dbraw/zinc/54/66/94/929546694.db2.gz	AFPWMABOVFTNCC-ZCFIWIBFSA-N	-1	1	313.343	-1.416	20	0		DAADMM
CN1CC[C@@H]([NH+]2CCC(NC(=O)CCc3nnn[n-]3)CC2)C1=O	ZINC001449173486	929560852	/nfs/dbraw/zinc/56/08/52/929560852.db2.gz	DGAAVOQLSFKFNH-LLVKDONJSA-N	-1	1	321.385	-1.056	20	0		DAADMM
NC(=O)[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccccn1	ZINC001450120504	929609087	/nfs/dbraw/zinc/60/90/87/929609087.db2.gz	WRSFQTODSZTMNO-LLVKDONJSA-N	-1	1	317.305	-1.336	20	0		DAADMM
CCOCCN1CCN(C(=O)[C@]2(C(=O)[O-])CNCCO2)CC1	ZINC001521425182	929659859	/nfs/dbraw/zinc/65/98/59/929659859.db2.gz	UGJBOFJAYQKSQA-AWEZNQCLSA-N	-1	1	315.370	-1.390	20	0		DAADMM
COCCN1CCN(C(=O)[C@]2(C(=O)[O-])CNCCO2)CC1	ZINC001521425326	929660249	/nfs/dbraw/zinc/66/02/49/929660249.db2.gz	YHNMDRSIWJJMNA-ZDUSSCGKSA-N	-1	1	301.343	-1.780	20	0		DAADMM
CCOC[C@@H]1CN(C(=O)[C@@]2(C(=O)[O-])CNCCO2)CCO1	ZINC001522198442	929667614	/nfs/dbraw/zinc/66/76/14/929667614.db2.gz	YFCPUZWLUWTMLL-GXFFZTMASA-N	-1	1	302.327	-1.307	20	0		DAADMM
COCC(=O)N[C@@H](C)C(=O)NCCNC(=O)c1ncccc1[O-]	ZINC001522597084	929683851	/nfs/dbraw/zinc/68/38/51/929683851.db2.gz	LADXVIVPWDXAOL-VIFPVBQESA-N	-1	1	324.337	-1.216	20	0		DAADMM
CO[C@@H](C)C(=O)NCCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001522851330	929707093	/nfs/dbraw/zinc/70/70/93/929707093.db2.gz	DPPLQPVPICJMMY-QMMMGPOBSA-N	-1	1	322.325	-1.311	20	0		DAADMM
COCC(=O)NC1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1	ZINC001530332170	929837898	/nfs/dbraw/zinc/83/78/98/929837898.db2.gz	XLLAGOYPSXBOOZ-UHFFFAOYSA-N	-1	1	312.282	-1.517	20	0		DAADMM
Cn1cc([C@@H](CO)NC(=O)CCn2cc[n-]c(=O)c2=O)cn1	ZINC001547439335	930029864	/nfs/dbraw/zinc/02/98/64/930029864.db2.gz	FCELJRFUPYHXKQ-SNVBAGLBSA-N	-1	1	307.310	-1.490	20	0		DAADMM
CCn1[n-]nnc1=NC(=O)N1CC[C@@H](N2CCN(C)CC2)C1	ZINC001552937705	930074443	/nfs/dbraw/zinc/07/44/43/930074443.db2.gz	CXKTXZCVSBXAPJ-LLVKDONJSA-N	-1	1	308.390	-1.032	20	0		DAADMM
CN1CCO[C@H](C(=O)N2CCSC[C@H]2c2nn[n-]n2)C1=O	ZINC001556270103	930078064	/nfs/dbraw/zinc/07/80/64/930078064.db2.gz	JSAZSOFQSBNHGU-YUMQZZPRSA-N	-1	1	312.355	-1.327	20	0		DAADMM
CS(=O)(=O)C1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001557027867	930082364	/nfs/dbraw/zinc/08/23/64/930082364.db2.gz	CFPXQWWYBSGWDF-UHFFFAOYSA-N	-1	1	301.324	-1.818	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCC(=O)NCC12COC2	ZINC001558116542	930086173	/nfs/dbraw/zinc/08/61/73/930086173.db2.gz	RFRPTTNVBCEBNS-UHFFFAOYSA-N	-1	1	322.321	-1.956	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCC(=O)N(C)OC)[n-]n1	ZINC001561666761	930093625	/nfs/dbraw/zinc/09/36/25/930093625.db2.gz	YEIIFPOEUXGLBE-UHFFFAOYSA-N	-1	1	306.300	-1.506	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCC(=O)N(C)OC)n[n-]1	ZINC001561666761	930093636	/nfs/dbraw/zinc/09/36/36/930093636.db2.gz	YEIIFPOEUXGLBE-UHFFFAOYSA-N	-1	1	306.300	-1.506	20	0		DAADMM
CC(=O)N1CCC[C@@H]1C(=O)NCCn1cnc(-c2nn[n-]n2)n1	ZINC001573448235	945807418	/nfs/dbraw/zinc/80/74/18/945807418.db2.gz	HHBASBFGGGJBEX-SECBINFHSA-N	-1	1	319.329	-1.415	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)NCCNc1nccnc1-c1nnn[n-]1	ZINC001573484439	946216402	/nfs/dbraw/zinc/21/64/02/946216402.db2.gz	LNKZWTFRJXAPKW-ZETCQYMHSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)NCCNc1nccnc1-c1nn[n-]n1	ZINC001573484439	946216411	/nfs/dbraw/zinc/21/64/11/946216411.db2.gz	LNKZWTFRJXAPKW-ZETCQYMHSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)N[C@H]1CCN(C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)C1	ZINC001573496679	946326017	/nfs/dbraw/zinc/32/60/17/946326017.db2.gz	ACAJVEVQLZYELH-CBAPKCEASA-N	-1	1	319.329	-1.244	20	0		DAADMM
CC(=O)NCC(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1	ZINC001573502439	946388532	/nfs/dbraw/zinc/38/85/32/946388532.db2.gz	VSCCTUJUKAOVOT-UHFFFAOYSA-N	-1	1	319.329	-1.337	20	0		DAADMM
CC(=O)NCC(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1	ZINC001573502439	946388542	/nfs/dbraw/zinc/38/85/42/946388542.db2.gz	VSCCTUJUKAOVOT-UHFFFAOYSA-N	-1	1	319.329	-1.337	20	0		DAADMM
CC(=O)NCC(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001573516316	946558497	/nfs/dbraw/zinc/55/84/97/946558497.db2.gz	XRHXBUAPBDFXKL-ZETCQYMHSA-N	-1	1	319.329	-1.869	20	0		DAADMM
CC(=O)NCC(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1	ZINC001573516393	946562840	/nfs/dbraw/zinc/56/28/40/946562840.db2.gz	YOMMMBNWZLORSN-ZETCQYMHSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1	ZINC001573516393	946562846	/nfs/dbraw/zinc/56/28/46/946562846.db2.gz	YOMMMBNWZLORSN-ZETCQYMHSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1	ZINC001573521991	946618354	/nfs/dbraw/zinc/61/83/54/946618354.db2.gz	SFXSBFMFAUKHSY-ZETCQYMHSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1	ZINC001573521991	946618361	/nfs/dbraw/zinc/61/83/61/946618361.db2.gz	SFXSBFMFAUKHSY-ZETCQYMHSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1	ZINC001573521990	946618516	/nfs/dbraw/zinc/61/85/16/946618516.db2.gz	SFXSBFMFAUKHSY-SSDOTTSWSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1	ZINC001573521990	946618522	/nfs/dbraw/zinc/61/85/22/946618522.db2.gz	SFXSBFMFAUKHSY-SSDOTTSWSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1	ZINC001573528543	946661544	/nfs/dbraw/zinc/66/15/44/946661544.db2.gz	DJCQWTWKVBJKHM-SECBINFHSA-N	-1	1	304.314	-1.002	20	0		DAADMM
CC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1	ZINC001573528543	946661553	/nfs/dbraw/zinc/66/15/53/946661553.db2.gz	DJCQWTWKVBJKHM-SECBINFHSA-N	-1	1	304.314	-1.002	20	0		DAADMM
CC(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1	ZINC001573528432	946662346	/nfs/dbraw/zinc/66/23/46/946662346.db2.gz	BTQWEBRZUZENRM-VIFPVBQESA-N	-1	1	304.314	-1.002	20	0		DAADMM
CC(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1	ZINC001573528432	946662352	/nfs/dbraw/zinc/66/23/52/946662352.db2.gz	BTQWEBRZUZENRM-VIFPVBQESA-N	-1	1	304.314	-1.002	20	0		DAADMM
C[C@@H](C(=O)N1CC(NC2COC2)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573613659	947566623	/nfs/dbraw/zinc/56/66/23/947566623.db2.gz	FZUXLBZWSWJXSV-ZETCQYMHSA-N	-1	1	319.329	-1.782	20	0		DAADMM
C[C@@H](C(=O)N1CCC(O)(CO)CC1)n1cnc(-c2nn[n-]n2)n1	ZINC001573622896	947683284	/nfs/dbraw/zinc/68/32/84/947683284.db2.gz	CIPVFLDGHGUTJE-QMMMGPOBSA-N	-1	1	322.329	-1.635	20	0		DAADMM
CC(=O)CCC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001573365303	947733069	/nfs/dbraw/zinc/73/30/69/947733069.db2.gz	MCSISXUCRSABGL-UHFFFAOYSA-N	-1	1	321.297	-1.386	20	0		DAADMM
C[C@H](C(=O)N1C[C@H](CO)[C@H](CO)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573647849	947903956	/nfs/dbraw/zinc/90/39/56/947903956.db2.gz	UOGCMYDOLBUNTA-HLTSFMKQSA-N	-1	1	322.329	-1.922	20	0		DAADMM
C[C@@H](C(=O)N1[C@H](CO)CC[C@H]1CO)n1cnc(-c2nn[n-]n2)n1	ZINC001573650827	947913755	/nfs/dbraw/zinc/91/37/55/947913755.db2.gz	FUIDLFINLQBSMU-CIUDSAMLSA-N	-1	1	322.329	-1.637	20	0		DAADMM
C[C@H](C(=O)N[C@]1(C(N)=O)CCOC1)n1cnc(-c2nn[n-]n2)n1	ZINC001573656514	947990586	/nfs/dbraw/zinc/99/05/86/947990586.db2.gz	HHDWOLIZRFFZCL-KSBSHMNSSA-N	-1	1	321.301	-2.220	20	0		DAADMM
C[C@@H](C(=O)NC1CC(CO)(CO)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573664668	948057488	/nfs/dbraw/zinc/05/74/88/948057488.db2.gz	WJEMKSUEEFTEFT-ZETCQYMHSA-N	-1	1	322.329	-1.731	20	0		DAADMM
C[C@@H](C(=O)N[C@H]1CC[C@@H](O)[C@@H](O)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573676131	948124577	/nfs/dbraw/zinc/12/45/77/948124577.db2.gz	RSWMFOZIATYAHP-MAUMQABQSA-N	-1	1	322.329	-1.590	20	0		DAADMM
C[C@H](C(=O)NC[C@@H](O)c1c[nH]cn1)n1cnc(-c2nn[n-]n2)n1	ZINC001573692665	948268842	/nfs/dbraw/zinc/26/88/42/948268842.db2.gz	QGYSJVPEXGPITL-HTRCEHHLSA-N	-1	1	318.301	-1.408	20	0		DAADMM
C[C@H](C(=O)NCC1(O)CCOCC1)n1cnc(-c2nn[n-]n2)n1	ZINC001573696664	948330681	/nfs/dbraw/zinc/33/06/81/948330681.db2.gz	UYGMVQMDMIBYNL-MRVPVSSYSA-N	-1	1	322.329	-1.323	20	0		DAADMM
C[C@@H](C(=O)NCC1(O)CCOCC1)n1cnc(-c2nn[n-]n2)n1	ZINC001573696665	948331126	/nfs/dbraw/zinc/33/11/26/948331126.db2.gz	UYGMVQMDMIBYNL-QMMMGPOBSA-N	-1	1	322.329	-1.323	20	0		DAADMM
C[C@@H](C(=O)NCC1N=NC(=O)N1C)n1cnc(-c2nn[n-]n2)n1	ZINC001573727708	948555231	/nfs/dbraw/zinc/55/52/31/948555231.db2.gz	BOTFFIKBZRANPP-YFKPBYRVSA-N	-1	1	319.289	-1.830	20	0		DAADMM
C[C@H](C(=O)NCc1cncnc1N)n1cnc(-c2nn[n-]n2)n1	ZINC001573729135	948565792	/nfs/dbraw/zinc/56/57/92/948565792.db2.gz	HGVXLTQZAPFSEP-ZCFIWIBFSA-N	-1	1	315.301	-1.292	20	0		DAADMM
COc1cc(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)ncn1	ZINC001570918207	948569061	/nfs/dbraw/zinc/56/90/61/948569061.db2.gz	MFPDKBDWNROUBM-UHFFFAOYSA-N	-1	1	316.285	-1.313	20	0		DAADMM
Cn1c(=O)[nH]c(N2CCn3cnnc3C2)c(-c2nn[n-]n2)c1=O	ZINC001570918790	948577874	/nfs/dbraw/zinc/57/78/74/948577874.db2.gz	TXALZMQHTJAKKZ-UHFFFAOYSA-N	-1	1	316.285	-2.135	20	0		DAADMM
CN(C)S(=O)(=O)CCC(=O)Nc1n[nH]cc1-c1nnn[n-]1	ZINC001570919355	948586733	/nfs/dbraw/zinc/58/67/33/948586733.db2.gz	RWEQSYBCHGPTBD-UHFFFAOYSA-N	-1	1	314.331	-1.190	20	0		DAADMM
CN(C)S(=O)(=O)CCC(=O)Nc1n[nH]cc1-c1nn[n-]n1	ZINC001570919355	948586740	/nfs/dbraw/zinc/58/67/40/948586740.db2.gz	RWEQSYBCHGPTBD-UHFFFAOYSA-N	-1	1	314.331	-1.190	20	0		DAADMM
C[C@@H](C(=O)NCc1ccc(=O)[nH]n1)n1cnc(-c2nn[n-]n2)n1	ZINC001573731373	948591657	/nfs/dbraw/zinc/59/16/57/948591657.db2.gz	WHASIVQIASWYBR-LURJTMIESA-N	-1	1	316.285	-1.169	20	0		DAADMM
O=c1c(-c2nn[n-]n2)cn(CCO)c(=O)n1CCn1cccn1	ZINC001570922055	948633457	/nfs/dbraw/zinc/63/34/57/948633457.db2.gz	UFYZFSBPXDGLBP-UHFFFAOYSA-N	-1	1	318.297	-1.921	20	0		DAADMM
O=C(NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NCC1CC1	ZINC001570922403	948639693	/nfs/dbraw/zinc/63/96/93/948639693.db2.gz	IIIIXORGQZDHAO-UHFFFAOYSA-N	-1	1	320.313	-1.162	20	0		DAADMM
C[C@@H]1COCCN1C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001570922987	948652723	/nfs/dbraw/zinc/65/27/23/948652723.db2.gz	RILRBMXXJNUJAQ-SSDOTTSWSA-N	-1	1	321.297	-1.624	20	0		DAADMM
COC(=O)c1ccc(N2CC[C@@H](O)[C@@H](O)C2)c(-c2nnn[n-]2)n1	ZINC001570923047	948653442	/nfs/dbraw/zinc/65/34/42/948653442.db2.gz	SIMLSSMEPNKWOO-ZJUUUORDSA-N	-1	1	320.309	-1.020	20	0		DAADMM
COC(=O)c1ccc(N2CC[C@@H](O)[C@@H](O)C2)c(-c2nn[n-]n2)n1	ZINC001570923047	948653445	/nfs/dbraw/zinc/65/34/45/948653445.db2.gz	SIMLSSMEPNKWOO-ZJUUUORDSA-N	-1	1	320.309	-1.020	20	0		DAADMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)N1C[C@H](CCO)[C@H](CO)C1	ZINC001570929973	948793649	/nfs/dbraw/zinc/79/36/49/948793649.db2.gz	DIOPDDFGFKCDAA-IUCAKERBSA-N	-1	1	322.329	-2.093	20	0		DAADMM
Cn1c(=O)[nH]c(NCC2(O)CCOCC2)c(-c2nn[n-]n2)c1=O	ZINC001570930251	948805429	/nfs/dbraw/zinc/80/54/29/948805429.db2.gz	HJIAPPFYYUKLKM-UHFFFAOYSA-N	-1	1	323.313	-1.381	20	0		DAADMM
CO[C@@]1(CNc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)CCOC1	ZINC001570930847	948829070	/nfs/dbraw/zinc/82/90/70/948829070.db2.gz	HOMFTJXPMBAIEP-GFCCVEGCSA-N	-1	1	323.313	-1.117	20	0		DAADMM
C[C@@H](O)C[C@@H](C)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001570931021	948832694	/nfs/dbraw/zinc/83/26/94/948832694.db2.gz	JQJZNOHTNXMQDS-RNFRBKRXSA-N	-1	1	323.313	-1.595	20	0		DAADMM
CCN(C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@@H](C)CO	ZINC001570932317	948853621	/nfs/dbraw/zinc/85/36/21/948853621.db2.gz	PVMDXUKXWDDYQL-ZETCQYMHSA-N	-1	1	323.313	-1.642	20	0		DAADMM
CCC[C@@H](O)CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001570932364	948858720	/nfs/dbraw/zinc/85/87/20/948858720.db2.gz	RXBRXSBLEPXYDL-SSDOTTSWSA-N	-1	1	323.313	-1.594	20	0		DAADMM
CO[C@@H]1CCOC[C@H]1NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1	ZINC001570932723	948864953	/nfs/dbraw/zinc/86/49/53/948864953.db2.gz	WWZSRGWTJLIADX-DJLDLDEBSA-N	-1	1	322.329	-1.061	20	0		DAADMM
CC(C)[C@H](O)Cn1c(=O)c(-c2nn[n-]n2)cn(CCO)c1=O	ZINC001574083035	948871068	/nfs/dbraw/zinc/87/10/68/948871068.db2.gz	OHTDOAKPMCOJOJ-SECBINFHSA-N	-1	1	310.314	-1.801	20	0		DAADMM
C[C@H]1C(=O)N(C)CCN1c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1	ZINC001575866897	949423084	/nfs/dbraw/zinc/42/30/84/949423084.db2.gz	VRDLGGZLMVOROR-LURJTMIESA-N	-1	1	320.313	-2.079	20	0		DAADMM
C[C@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)S(C)(=O)=O	ZINC001574947486	949447729	/nfs/dbraw/zinc/44/77/29/949447729.db2.gz	BHLYJQWRKSFVOW-ZCFIWIBFSA-N	-1	1	314.331	-1.993	20	0		DAADMM
C[C@@H]1[C@@H](CO)CCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC001575868117	949453277	/nfs/dbraw/zinc/45/32/77/949453277.db2.gz	MGBPEYPFDQCPQH-HTQZYQBOSA-N	-1	1	321.341	-1.529	20	0		DAADMM
C[C@H]1[C@@H](CO)CCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC001575868118	949454490	/nfs/dbraw/zinc/45/44/90/949454490.db2.gz	MGBPEYPFDQCPQH-JGVFFNPUSA-N	-1	1	321.341	-1.529	20	0		DAADMM
C[C@@H]1[C@@H](CO)CCCN1c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1	ZINC001575870888	949502174	/nfs/dbraw/zinc/50/21/74/949502174.db2.gz	WWZKCIZJHDSMEI-HTQZYQBOSA-N	-1	1	321.341	-1.149	20	0		DAADMM
C[C@]1(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)CCNC(=O)C1	ZINC001575592278	950282257	/nfs/dbraw/zinc/28/22/57/950282257.db2.gz	GILGXNVQHRSORB-LBPRGKRZSA-N	-1	1	319.329	-1.509	20	0		DAADMM
C[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C[C@H]1CO	ZINC001576216114	950725258	/nfs/dbraw/zinc/72/52/58/950725258.db2.gz	YPGYJXJVRJVVND-SFYZADRCSA-N	-1	1	321.341	-1.292	20	0		DAADMM
C[C@H](CNC(=O)c1cnon1)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001575053304	951476230	/nfs/dbraw/zinc/47/62/30/951476230.db2.gz	AVCHYKZRIWUUIL-ZCFIWIBFSA-N	-1	1	316.285	-1.308	20	0		DAADMM
O=C([O-])CN1CC[C@H](N[C@H]2C(=O)NCC23CCOCC3)C1=O	ZINC001595079841	951669787	/nfs/dbraw/zinc/66/97/87/951669787.db2.gz	UQZMVARMMGDKEW-ONGXEEELSA-N	-1	1	311.338	-1.443	20	0		DAADMM
O=C([O-])CN1CCC[C@H](C(=O)NCCN2CC[C@H](O)C2)C1=O	ZINC001595081546	951684487	/nfs/dbraw/zinc/68/44/87/951684487.db2.gz	BJDUAQOPSDEDFE-WDEREUQCSA-N	-1	1	313.354	-1.508	20	0		DAADMM
O=C([O-])CN1CCC[C@@H](C(=O)N2CC[C@@H](c3nn[nH]n3)C2)C1=O	ZINC001595086639	951736534	/nfs/dbraw/zinc/73/65/34/951736534.db2.gz	MCGPDYJHLMXOEF-RKDXNWHRSA-N	-1	1	322.325	-1.161	20	0		DAADMM
O=C([O-])COCC(=O)N1CCN([C@H]2CCNC(=O)CC2)CC1	ZINC001595105772	951876932	/nfs/dbraw/zinc/87/69/32/951876932.db2.gz	LIQLIEKRRATKLF-LLVKDONJSA-N	-1	1	313.354	-1.100	20	0		DAADMM
O=C([O-])COCC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1	ZINC001595108248	951898607	/nfs/dbraw/zinc/89/86/07/951898607.db2.gz	OKMJDLOZRLCJTL-GFCCVEGCSA-N	-1	1	315.370	-1.390	20	0		DAADMM
O=C([O-])Cn1cc(C(=O)N[C@H]2CCCN(CCCO)C2)nn1	ZINC001595143132	952096915	/nfs/dbraw/zinc/09/69/15/952096915.db2.gz	UMLUMVXUMCLMNN-JTQLQIEISA-N	-1	1	311.342	-1.061	20	0		DAADMM
C[C@H](C[S@@](C)=O)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1	ZINC001575185729	952435323	/nfs/dbraw/zinc/43/53/23/952435323.db2.gz	VGCUCLSSDBWUTF-IBAZPXCASA-N	-1	1	313.343	-1.155	20	0		DAADMM
CN(C(=O)C(=O)NCCOCC(=O)[O-])[C@@H]1CCN(C2CC2)C1	ZINC001593674458	953903773	/nfs/dbraw/zinc/90/37/73/953903773.db2.gz	QQFUDJKWSCXXCD-LLVKDONJSA-N	-1	1	313.354	-1.101	20	0		DAADMM
CN1C[C@H](O)C[C@@]1(C)C(=O)NCCOCCOCC(=O)[O-]	ZINC001593774679	954588141	/nfs/dbraw/zinc/58/81/41/954588141.db2.gz	STSWZFHSGKOWOE-MFKMUULPSA-N	-1	1	304.343	-1.325	20	0		DAADMM
CN1C[C@@H](O)C[C@]1(C)C(=O)NCCOCCOCC(=O)[O-]	ZINC001593774678	954589028	/nfs/dbraw/zinc/58/90/28/954589028.db2.gz	STSWZFHSGKOWOE-GXFFZTMASA-N	-1	1	304.343	-1.325	20	0		DAADMM
CN1CCN(C)[C@@H](CNC(=O)c2cccn(CC(=O)[O-])c2=O)C1	ZINC001593785285	954696580	/nfs/dbraw/zinc/69/65/80/954696580.db2.gz	PJXBRQGFJIUBFC-NSHDSACASA-N	-1	1	322.365	-1.092	20	0		DAADMM
CNC(=O)NC(=O)CCN1CCO[C@](COC)(C(=O)[O-])C1	ZINC001593794821	954800656	/nfs/dbraw/zinc/80/06/56/954800656.db2.gz	FZODJQJUURSCNK-GFCCVEGCSA-N	-1	1	303.315	-1.366	20	0		DAADMM
CC[C@@H](CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)C(=O)[O-]	ZINC001589518906	955083227	/nfs/dbraw/zinc/08/32/27/955083227.db2.gz	ONPFYZCXYDWYIS-GARJFASQSA-N	-1	1	313.354	-1.509	20	0		DAADMM
COC(=O)C[C@]1(NCCS(=O)(=O)CC(=O)[O-])CCOC1	ZINC001593832687	955167064	/nfs/dbraw/zinc/16/70/64/955167064.db2.gz	GHPIHFIOVMICGR-LLVKDONJSA-N	-1	1	309.340	-1.202	20	0		DAADMM
COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1CN2CCN1C[C@H]2C	ZINC001593839819	955349503	/nfs/dbraw/zinc/34/95/03/955349503.db2.gz	XLLKBDANKMDXBA-GHMZBOCLSA-N	-1	1	313.354	-1.149	20	0		DAADMM
Cn1c(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n[nH]c1=O	ZINC001594518771	955445572	/nfs/dbraw/zinc/44/55/72/955445572.db2.gz	QUKKVBIGOCTOCG-MADCSZMMSA-N	-1	1	311.298	-1.237	20	0		DAADMM
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001593863447	955563679	/nfs/dbraw/zinc/56/36/79/955563679.db2.gz	IFIDSPMYINWTGQ-DTWKUNHWSA-N	-1	1	310.266	-1.161	20	0		DAADMM
CO[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1	ZINC001593906920	955929906	/nfs/dbraw/zinc/92/99/06/955929906.db2.gz	LORIKKTYQWXVAI-VXGBXAGGSA-N	-1	1	315.370	-1.391	20	0		DAADMM
COC[C@@]1(C(=O)[O-])CN(C[C@H](O)C2(O)CCOCC2)CCO1	ZINC001593985846	956776057	/nfs/dbraw/zinc/77/60/57/956776057.db2.gz	KFHWMQVKPDCAOC-SMDDNHRTSA-N	-1	1	319.354	-1.309	20	0		DAADMM
COC[C@]1(C(=O)[O-])CN(CCCC(=O)NC(N)=O)CCO1	ZINC001593986332	956788445	/nfs/dbraw/zinc/78/84/45/956788445.db2.gz	UBMOHBICQHNNGH-LBPRGKRZSA-N	-1	1	303.315	-1.237	20	0		DAADMM
COCCN(C)CCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC001593995823	956894381	/nfs/dbraw/zinc/89/43/81/956894381.db2.gz	XBOBLCXMHQYMRW-SNVBAGLBSA-N	-1	1	317.342	-2.007	20	0		DAADMM
COCCN(C)CCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC001593995822	956895347	/nfs/dbraw/zinc/89/53/47/956895347.db2.gz	XBOBLCXMHQYMRW-JTQLQIEISA-N	-1	1	317.342	-2.007	20	0		DAADMM
O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC3)C2)CCO1	ZINC001594734555	957055775	/nfs/dbraw/zinc/05/57/75/957055775.db2.gz	CDVBYXYUDJMUKG-ONGXEEELSA-N	-1	1	311.338	-1.349	20	0		DAADMM
O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCS(=O)(=O)C1	ZINC000037432553	957286818	/nfs/dbraw/zinc/28/68/18/957286818.db2.gz	VZQYGJFAFRZKIW-VXNVDRBHSA-N	-1	1	301.324	-1.044	20	0		DAADMM
O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCS(=O)(=O)C1	ZINC000037432555	957287321	/nfs/dbraw/zinc/28/73/21/957287321.db2.gz	VZQYGJFAFRZKIW-IONNQARKSA-N	-1	1	301.324	-1.044	20	0		DAADMM
C[C@@H](NC(=O)CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C(=O)N(C)C	ZINC001603220164	972340298	/nfs/dbraw/zinc/34/02/98/972340298.db2.gz	IAFDFEVPFXTIPX-GPCCPHFNSA-N	-1	1	313.354	-1.388	20	0		DAADMM
CC(=O)NCCN(C(=O)CCCc1nn[nH]n1)[C@H](C)C(=O)[O-]	ZINC001588506701	958730820	/nfs/dbraw/zinc/73/08/20/958730820.db2.gz	NTBWOGZENJRVQX-MRVPVSSYSA-N	-1	1	312.330	-1.040	20	0		DAADMM
C[C@@H]1CN([C@@H]2CCN(CC(=O)[O-])C2=O)C[C@H]1CS(N)(=O)=O	ZINC001574275602	960633863	/nfs/dbraw/zinc/63/38/63/960633863.db2.gz	WCIICTPTHLYRGF-KXUCPTDWSA-N	-1	1	319.383	-1.472	20	0		DAADMM
O=C([O-])CN1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1	ZINC001571103126	961254220	/nfs/dbraw/zinc/25/42/20/961254220.db2.gz	XDWKSPIZGDLXDJ-VIFPVBQESA-N	-1	1	309.326	-1.225	20	0		DAADMM
C[C@@H]1C[C@H](C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)O[C@H]1C(=O)[O-]	ZINC001571110936	961324472	/nfs/dbraw/zinc/32/44/72/961324472.db2.gz	AKLLBCUBGNBYNW-FNCVBFRFSA-N	-1	1	311.298	-1.022	20	0		DAADMM
O=C([O-])CNC(=O)[C@@H]1CCCN1C[C@H](O)C[C@]1(O)CCOC1	ZINC001571131482	961557713	/nfs/dbraw/zinc/55/77/13/961557713.db2.gz	IBJNGFVJTFMOQC-UHIISALHSA-N	-1	1	316.354	-1.446	20	0		DAADMM
O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)CCc1nn[nH]n1	ZINC001571133744	961599786	/nfs/dbraw/zinc/59/97/86/961599786.db2.gz	WVDRBMSJKGOEPD-ZETCQYMHSA-N	-1	1	317.327	-1.767	20	0		DAADMM
CN(C)CCN(CC(=O)[O-])S(=O)(=O)N1CCN(C)CC1	ZINC001573989506	961806201	/nfs/dbraw/zinc/80/62/01/961806201.db2.gz	HBQPRERYXKDZSQ-UHFFFAOYSA-N	-1	1	308.404	-1.573	20	0		DAADMM
COC[C@]1(C(=O)[O-])CN(C(=O)CCCc2nn[nH]n2)CCO1	ZINC001574142093	962583376	/nfs/dbraw/zinc/58/33/76/962583376.db2.gz	RXVLGTWBAVRPAS-LBPRGKRZSA-N	-1	1	313.314	-1.149	20	0		DAADMM
O=C([O-])CCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21	ZINC001574710069	962703569	/nfs/dbraw/zinc/70/35/69/962703569.db2.gz	WARJRYQAMMLLMC-GXFFZTMASA-N	-1	1	301.343	-1.014	20	0		DAADMM
COCCN1C[C@H](C(=O)N2CCN(CC(=O)[O-])CC2)CC1=O	ZINC000314510176	963762335	/nfs/dbraw/zinc/76/23/35/963762335.db2.gz	PNAKLKIYQPUJRW-LLVKDONJSA-N	-1	1	313.354	-1.290	20	0		DAADMM
O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1	ZINC001594792471	970263020	/nfs/dbraw/zinc/26/30/20/970263020.db2.gz	FPSBZVYDBCEGTE-ZRUFSTJUSA-N	-1	1	311.338	-1.757	20	0		DAADMM
COC(=O)C[C@@]1(N[C@H]2CCN(CC(=O)[O-])C2=O)CCOC1	ZINC001604299073	972935404	/nfs/dbraw/zinc/93/54/04/972935404.db2.gz	PJWHCXXBRIBYBB-ZANVPECISA-N	-1	1	300.311	-1.016	20	0		DAADMM
COC(=O)C[C@]1(N[C@@H]2CCN(CC(=O)[O-])C2=O)CCOC1	ZINC001604299070	972935665	/nfs/dbraw/zinc/93/56/65/972935665.db2.gz	PJWHCXXBRIBYBB-NOZJJQNGSA-N	-1	1	300.311	-1.016	20	0		DAADMM
O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1	ZINC001605999811	973092884	/nfs/dbraw/zinc/09/28/84/973092884.db2.gz	AGPHOYFOXCVHJN-GARJFASQSA-N	-1	1	311.338	-1.803	20	0		DAADMM
CO[C@@H](C(=O)[O-])C(=O)N1CCC(O)(CN2CCOCC2)CC1	ZINC001604422253	973193277	/nfs/dbraw/zinc/19/32/77/973193277.db2.gz	QTDYWIVRAPNFIU-LLVKDONJSA-N	-1	1	316.354	-1.228	20	0		DAADMM
CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC001606237227	973510826	/nfs/dbraw/zinc/51/08/26/973510826.db2.gz	ANRRAESSRUKVOG-WDEREUQCSA-N	-1	1	312.370	-1.719	20	0		DAADMM
CN1CCN(C)[C@H](CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1	ZINC001606237227	973510835	/nfs/dbraw/zinc/51/08/35/973510835.db2.gz	ANRRAESSRUKVOG-WDEREUQCSA-N	-1	1	312.370	-1.719	20	0		DAADMM
Cn1nc(C(=O)[O-])cc1CNC(C)(C)CNS(N)(=O)=O	ZINC001605539361	973739258	/nfs/dbraw/zinc/73/92/58/973739258.db2.gz	ZFSCUHSUXFCZRN-UHFFFAOYSA-N	-1	1	305.360	-1.220	20	0		DAADMM
NC(=O)Cn1cc(CN[C@H](Cc2ccncc2)C(=O)[O-])nn1	ZINC001605634387	973984926	/nfs/dbraw/zinc/98/49/26/973984926.db2.gz	MMCAOZWSRXKEJO-LLVKDONJSA-N	-1	1	304.310	-1.056	20	0		DAADMM
C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2OCCN(C)C2=O)CC1	ZINC001592410806	978006201	/nfs/dbraw/zinc/00/62/01/978006201.db2.gz	SDUWZXWAHCHFSQ-PWSUYJOCSA-N	-1	1	313.354	-1.149	20	0		DAADMM
CCNC(=O)CC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	ZINC001596455874	984159322	/nfs/dbraw/zinc/15/93/22/984159322.db2.gz	AEMGUKJOKVQWEO-UHFFFAOYSA-N	-1	1	314.386	-1.327	20	0		DAADMM
CC(=O)N(C)CC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	ZINC001589042277	985112390	/nfs/dbraw/zinc/11/23/90/985112390.db2.gz	QEXDKSCTEKYTGU-UHFFFAOYSA-N	-1	1	314.386	-1.375	20	0		DAADMM
C[C@H]1CN(C(=O)NCC(=O)N2CCNCC2)C[C@@H](C(=O)[O-])O1	ZINC001599919652	985112692	/nfs/dbraw/zinc/11/26/92/985112692.db2.gz	NDKFGTMPNLMYRW-UWVGGRQHSA-N	-1	1	314.342	-1.698	20	0		DAADMM
Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCN(CC(=O)[O-])CC1	ZINC001599940995	985454054	/nfs/dbraw/zinc/45/40/54/985454054.db2.gz	CALOGRMQMSHLHS-UHFFFAOYSA-N	-1	1	310.310	-1.032	20	0		DAADMM
C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)CN1CCOCC1=O	ZINC001594513960	985815222	/nfs/dbraw/zinc/81/52/22/985815222.db2.gz	BAYXBDGNLPHCCI-LLVKDONJSA-N	-1	1	313.354	-1.147	20	0		DAADMM
C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)CN1C(=O)CNC1=O	ZINC001594515470	985877690	/nfs/dbraw/zinc/87/76/90/985877690.db2.gz	OPIKUVQRMGKNDB-VIFPVBQESA-N	-1	1	312.326	-1.454	20	0		DAADMM
C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CCS(=O)(=O)N1	ZINC001594516437	985903968	/nfs/dbraw/zinc/90/39/68/985903968.db2.gz	XGOXGICUBCMZJO-UWVGGRQHSA-N	-1	1	319.383	-1.315	20	0		DAADMM
C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1	ZINC001594518612	985929071	/nfs/dbraw/zinc/92/90/71/985929071.db2.gz	ARFCTIRQIHDFFX-BDAKNGLRSA-N	-1	1	312.326	-1.408	20	0		DAADMM
C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cn(CC(N)=O)nn1	ZINC001594521407	985992014	/nfs/dbraw/zinc/99/20/14/985992014.db2.gz	FVJWKJMKTBKGJW-VIFPVBQESA-N	-1	1	324.341	-1.616	20	0		DAADMM
C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1	ZINC001589337264	986229224	/nfs/dbraw/zinc/22/92/24/986229224.db2.gz	QDCUCEPXFPVVRG-VHSXEESVSA-N	-1	1	321.399	-1.259	20	0		DAADMM
C[C@@H]1CN2CCN1C[C@H]2C(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001594584991	986471923	/nfs/dbraw/zinc/47/19/23/986471923.db2.gz	QNXQHVZYCBQUPK-MXWKQRLJSA-N	-1	1	313.354	-1.293	20	0		DAADMM
C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-]	ZINC001594585221	986475058	/nfs/dbraw/zinc/47/50/58/986475058.db2.gz	WAKZOMJCKHTFGK-MXWKQRLJSA-N	-1	1	310.354	-1.872	20	0		DAADMM
CCc1cc(CNC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)[nH]n1	ZINC001597471126	987928059	/nfs/dbraw/zinc/92/80/59/987928059.db2.gz	QRBBFGUJBRUPIZ-GZMMTYOYSA-N	-1	1	324.337	-1.118	20	0		DAADMM
C[C@@H](CO)N(C)C(=O)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	ZINC001599836389	988750636	/nfs/dbraw/zinc/75/06/36/988750636.db2.gz	IXARRVIFYVSGDV-JTQLQIEISA-N	-1	1	315.370	-1.167	20	0		DAADMM
CC(C)(CNCc1cn(CC(=O)[O-])nn1)CS(N)(=O)=O	ZINC001590763245	990566801	/nfs/dbraw/zinc/56/68/01/990566801.db2.gz	PKVYNNDKTHZWJE-UHFFFAOYSA-N	-1	1	305.360	-1.233	20	0		DAADMM
CN(C)S(=O)(=O)[C@H]1CCCN(CCC(=O)NCC(=O)[O-])C1	ZINC001598259305	991080112	/nfs/dbraw/zinc/08/01/12/991080112.db2.gz	FXZPLVRIKYVOOI-JTQLQIEISA-N	-1	1	321.399	-1.067	20	0		DAADMM
CS(=O)(=O)Nc1ccc(C(=O)N[C@@H](CO)C(=O)[O-])cn1	ZINC001599759921	992107027	/nfs/dbraw/zinc/10/70/27/992107027.db2.gz	DMHUISWKDOWHET-ZETCQYMHSA-N	-1	1	303.296	-1.372	20	0		DAADMM
CN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])CC(=O)NC(N)=O	ZINC001598480034	992134510	/nfs/dbraw/zinc/13/45/10/992134510.db2.gz	RGWGSUPTSNFJDF-YUMQZZPRSA-N	-1	1	300.315	-1.660	20	0		DAADMM
CN(Cc1nnc[nH]1)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001598541153	992902460	/nfs/dbraw/zinc/90/24/60/992902460.db2.gz	OGMSHXWDHDMUOZ-YUMQZZPRSA-N	-1	1	311.298	-1.943	20	0		DAADMM
CN1C(=O)CN(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C1=O	ZINC001598551099	993004343	/nfs/dbraw/zinc/00/43/43/993004343.db2.gz	MAQMZHDZPYGOPG-QMMMGPOBSA-N	-1	1	309.282	-1.584	20	0		DAADMM
CN(CC1CN(C)C1)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001598567326	993158605	/nfs/dbraw/zinc/15/86/05/993158605.db2.gz	RHTAONPPPIXBAA-GHMZBOCLSA-N	-1	1	313.354	-1.700	20	0		DAADMM
CN(CC1CN(C)C1)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001598567329	993158714	/nfs/dbraw/zinc/15/87/14/993158714.db2.gz	RHTAONPPPIXBAA-QWRGUYRKSA-N	-1	1	313.354	-1.700	20	0		DAADMM
CN1C[C@H](O)C[C@@]1(C)C(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001598569383	993178112	/nfs/dbraw/zinc/17/81/12/993178112.db2.gz	JFAJMGRIVVGKTM-RNCFNFMXSA-N	-1	1	301.343	-1.461	20	0		DAADMM
Cn1cc(NC(=O)C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)cn1	ZINC001598604818	993628979	/nfs/dbraw/zinc/62/89/79/993628979.db2.gz	WYURNYZXNYPGLG-VIFPVBQESA-N	-1	1	309.326	-1.167	20	0		DAADMM
CN1CCN(CCCS(=O)(=O)N[C@@H](CF)C(=O)[O-])CC1	ZINC001598617900	993926469	/nfs/dbraw/zinc/92/64/69/993926469.db2.gz	KRWCGUOUJNCPIW-JTQLQIEISA-N	-1	1	311.379	-1.034	20	0		DAADMM
CNC(=O)NC(=O)CNC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001598652031	994459446	/nfs/dbraw/zinc/45/94/46/994459446.db2.gz	MMQNHOUNKXBFMM-SFYZADRCSA-N	-1	1	312.326	-1.599	20	0		DAADMM
CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc(C(=O)[O-])nn1C	ZINC001598656206	994526563	/nfs/dbraw/zinc/52/65/63/994526563.db2.gz	WLFWCOIHOVMMFD-QMMMGPOBSA-N	-1	1	320.309	-1.072	20	0		DAADMM
C[C@@H](NS(C)(=O)=O)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C	ZINC001593347270	994953658	/nfs/dbraw/zinc/95/36/58/994953658.db2.gz	DFQDBCIJDDAXBY-VHSXEESVSA-N	-1	1	321.399	-1.069	20	0		DAADMM
C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC001593352540	994968133	/nfs/dbraw/zinc/96/81/33/994968133.db2.gz	DBIZWMHVDSVBKP-HTRCEHHLSA-N	-1	1	304.328	-1.541	20	0		DAADMM
C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(CC(=O)[O-])CC1	ZINC001593426537	995231363	/nfs/dbraw/zinc/23/13/63/995231363.db2.gz	SDYUAUONDHTLKW-SKDRFNHKSA-N	-1	1	313.354	-1.509	20	0		DAADMM
COC(=O)C[C@@H](NC(=O)C1CN([C@@H]2CCOC2)C1)C(=O)[O-]	ZINC001598837933	996501620	/nfs/dbraw/zinc/50/16/20/996501620.db2.gz	OZSDZZOZCRVUTN-NXEZZACHSA-N	-1	1	300.311	-1.160	20	0		DAADMM
COC(=O)CC[C@@H](NC(=O)[C@H]1CN2CCN1C[C@H]2C)C(=O)[O-]	ZINC001598856607	996642818	/nfs/dbraw/zinc/64/28/18/996642818.db2.gz	XRYWWHXYDXCNRT-GMTAPVOTSA-N	-1	1	313.354	-1.103	20	0		DAADMM
COC(=O)CN(CC(=O)[O-])C(=O)C1CN([C@@H]2CCOC2)C1	ZINC001598860600	996671316	/nfs/dbraw/zinc/67/13/16/996671316.db2.gz	OCQHXXGOZOHFNW-SNVBAGLBSA-N	-1	1	300.311	-1.207	20	0		DAADMM
COC[C@@]1(C(=O)NCC2(C(=O)[O-])CCOCC2)CNCCO1	ZINC001599184899	997009224	/nfs/dbraw/zinc/00/92/24/997009224.db2.gz	RZBNSGDQZZVVDC-CQSZACIVSA-N	-1	1	316.354	-1.011	20	0		DAADMM
COC(=O)[C@H](C)NC(=O)c1cc(C(=O)N[C@@H](C)C(=O)[O-])[nH]n1	ZINC001598902938	997206515	/nfs/dbraw/zinc/20/65/15/997206515.db2.gz	KAQLVVJQBHMTMG-WDSKDSINSA-N	-1	1	312.282	-1.096	20	0		DAADMM
COCc1nc(CNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)n[nH]1	ZINC001599306192	997319110	/nfs/dbraw/zinc/31/91/10/997319110.db2.gz	JHJRSOKNZSTSCF-YUMQZZPRSA-N	-1	1	313.314	-1.072	20	0		DAADMM
COC[C@@H]1CNCCN1C(=O)C(=O)NCCCCC(=O)[O-]	ZINC001599206764	997422652	/nfs/dbraw/zinc/42/26/52/997422652.db2.gz	FAEADJIZQODPBC-JTQLQIEISA-N	-1	1	301.343	-1.196	20	0		DAADMM
COC[C@@H]1CNCCN1C(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001599208177	997449196	/nfs/dbraw/zinc/44/91/96/997449196.db2.gz	PZUACJIAYQGJRJ-NSHDSACASA-N	-1	1	313.354	-1.244	20	0		DAADMM
COCCCS(=O)(=O)NCCN1CCC[C@@H](O)[C@@H]1C(=O)[O-]	ZINC001599229086	997814107	/nfs/dbraw/zinc/81/41/07/997814107.db2.gz	ARPRSUCUJNIAAH-GHMZBOCLSA-N	-1	1	324.399	-1.148	20	0		DAADMM
COCCn1nnc2c1CCN(CCC(=O)NCC(=O)[O-])C2	ZINC001599273489	998576750	/nfs/dbraw/zinc/57/67/50/998576750.db2.gz	RVOLCFWLUWMNBD-UHFFFAOYSA-N	-1	1	311.342	-1.127	20	0		DAADMM
C[C@H]1CN(C(=O)[C@H]2OCCN(C)C2=O)CCN1CCC(=O)[O-]	ZINC001594467065	999692869	/nfs/dbraw/zinc/69/28/69/999692869.db2.gz	XGTKFKBBAPTSII-JQWIXIFHSA-N	-1	1	313.354	-1.149	20	0		DAADMM
CC(C)[C@@H](CO)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000092407370	185316562	/nfs/dbraw/zinc/31/65/62/185316562.db2.gz	HCCGCUYDTYFQPJ-MRVPVSSYSA-N	-1	1	305.356	-1.621	20	0		DAADMM
CCN(OC)C(=O)CNS(=O)(=O)c1cc(C(=O)OC)n[n-]1	ZINC001191746855	781922941	/nfs/dbraw/zinc/92/29/41/781922941.db2.gz	FFYBKZZVFUICBZ-UHFFFAOYSA-N	-1	1	320.327	-1.116	20	0		DAADMM
CCN(OC)C(=O)CNS(=O)(=O)c1cc(C(=O)OC)[n-]n1	ZINC001191746855	781922953	/nfs/dbraw/zinc/92/29/53/781922953.db2.gz	FFYBKZZVFUICBZ-UHFFFAOYSA-N	-1	1	320.327	-1.116	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001191747060	781923684	/nfs/dbraw/zinc/92/36/84/781923684.db2.gz	YFVDKHIBYJBEKQ-NXEZZACHSA-N	-1	1	324.385	-1.347	20	0		DAADMM
CN(C)S(=O)(=O)NCC(=O)NC1(c2nn[n-]n2)CCCC1	ZINC000668870702	545675610	/nfs/dbraw/zinc/67/56/10/545675610.db2.gz	GNKPYOPDFWJJEF-UHFFFAOYSA-N	-1	1	317.375	-1.519	20	0		DAADMM
CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)C1=O	ZINC000331330065	545701950	/nfs/dbraw/zinc/70/19/50/545701950.db2.gz	HBDJKWUOPPXEJK-RKDXNWHRSA-N	-1	1	319.383	-1.082	20	0		DAADMM
CCC[C@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)c1nn[n-]n1	ZINC000343730122	545707257	/nfs/dbraw/zinc/70/72/57/545707257.db2.gz	RERDAYLPRQBYEC-LURJTMIESA-N	-1	1	309.286	-1.422	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCCO2)c(=O)n(C)c1=O	ZINC000004337576	181099212	/nfs/dbraw/zinc/09/92/12/181099212.db2.gz	SXQXBXSBOQLFNK-QMMMGPOBSA-N	-1	1	303.340	-1.459	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2CCCOCC2)c(=O)n(C)c1=O	ZINC000329273133	545718807	/nfs/dbraw/zinc/71/88/07/545718807.db2.gz	JWOYGCFXQFDSFX-SECBINFHSA-N	-1	1	317.367	-1.069	20	0		DAADMM
COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001192224001	781950613	/nfs/dbraw/zinc/95/06/13/781950613.db2.gz	ZZTLDAIRLOPGKU-IVZWLZJFSA-N	-1	1	314.342	-1.794	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@H](O)C2CC2)c(=O)n(C)c1=O	ZINC000071304356	372794305	/nfs/dbraw/zinc/79/43/05/372794305.db2.gz	VYJDMZDPOOLZCE-MRVPVSSYSA-N	-1	1	303.340	-1.867	20	0		DAADMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H](O)COC	ZINC000071271240	372795165	/nfs/dbraw/zinc/79/51/65/372795165.db2.gz	WNVWUUGCEDFNTP-SSDOTTSWSA-N	-1	1	307.328	-1.128	20	0		DAADMM
C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)N(C)C	ZINC000045745286	372781465	/nfs/dbraw/zinc/78/14/65/372781465.db2.gz	STRMZYKGPAANJX-ZETCQYMHSA-N	-1	1	318.355	-2.161	20	0		DAADMM
CC[C@@H](O)[C@H](CC)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000313078528	372820709	/nfs/dbraw/zinc/82/07/09/372820709.db2.gz	FSRFACLRVDCRTR-DTWKUNHWSA-N	-1	1	319.383	-1.088	20	0		DAADMM
CCS(=O)(=O)NCCS(=O)(=O)[N-][C@H]1COCCC1=O	ZINC000625491764	372824544	/nfs/dbraw/zinc/82/45/44/372824544.db2.gz	HOVQTJYEJVUOLP-QMMMGPOBSA-N	-1	1	314.385	-1.797	20	0		DAADMM
CC[C@@](C)(O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000087041043	372810485	/nfs/dbraw/zinc/81/04/85/372810485.db2.gz	MRKODNPOKRWDDF-LLVKDONJSA-N	-1	1	305.356	-1.477	20	0		DAADMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C)C(=O)NC	ZINC000048440476	372856398	/nfs/dbraw/zinc/85/63/98/372856398.db2.gz	COOUJMFLOWGYNP-LURJTMIESA-N	-1	1	304.328	-1.001	20	0		DAADMM
CCOC(=O)c1c[n-]c(NC(=O)CNC(=O)CNC(C)=O)n1	ZINC000585682389	372894757	/nfs/dbraw/zinc/89/47/57/372894757.db2.gz	REJGMJKRUGFHEO-UHFFFAOYSA-N	-1	1	311.298	-1.223	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@]2(C)CCOC2)c(=O)n(C)c1=O	ZINC000270228736	372885965	/nfs/dbraw/zinc/88/59/65/372885965.db2.gz	ODWUFOBDFLDDJV-NSHDSACASA-N	-1	1	303.340	-1.459	20	0		DAADMM
C[C@H](CC(C)(C)O)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000295284164	372918292	/nfs/dbraw/zinc/91/82/92/372918292.db2.gz	GAGPKGIVRAIHFN-MRVPVSSYSA-N	-1	1	319.383	-1.088	20	0		DAADMM
C[C@@H](CC(C)(C)O)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000295284166	372919325	/nfs/dbraw/zinc/91/93/25/372919325.db2.gz	GAGPKGIVRAIHFN-QMMMGPOBSA-N	-1	1	319.383	-1.088	20	0		DAADMM
CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000052782561	373155518	/nfs/dbraw/zinc/15/55/18/373155518.db2.gz	QCBBHTBOCZZNNH-SSDOTTSWSA-N	-1	1	318.355	-2.113	20	0		DAADMM
Cn1nccc1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000030595944	373161075	/nfs/dbraw/zinc/16/10/75/373161075.db2.gz	KZEZMGWGLDOYLO-UHFFFAOYSA-N	-1	1	313.339	-1.704	20	0		DAADMM
CCC[C@H](NC(=O)CN1CCN(CC)C(=O)C1=O)c1nn[n-]n1	ZINC000268142547	373165265	/nfs/dbraw/zinc/16/52/65/373165265.db2.gz	DOVZRAMYOSHEGV-VIFPVBQESA-N	-1	1	323.357	-1.152	20	0		DAADMM
CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000269756039	373170494	/nfs/dbraw/zinc/17/04/94/373170494.db2.gz	IQKNLXUPZFHFDG-IUCAKERBSA-N	-1	1	319.383	-1.231	20	0		DAADMM
C[C@@H](CN(C)C(=O)CN(C)S(=O)(=O)N(C)C)c1nn[n-]n1	ZINC000571453555	373149440	/nfs/dbraw/zinc/14/94/40/373149440.db2.gz	XLFAJOLRAHHINM-QMMMGPOBSA-N	-1	1	319.391	-1.500	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]C[C@H]1CC(C(N)=O)=NO1	ZINC000289761633	373213765	/nfs/dbraw/zinc/21/37/65/373213765.db2.gz	GZMURVCUQGGCCY-RXMQYKEDSA-N	-1	1	303.300	-1.526	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]CCN1C(=O)CCC1=O	ZINC000290677796	373219717	/nfs/dbraw/zinc/21/97/17/373219717.db2.gz	GVEDCEUYKQEJQM-UHFFFAOYSA-N	-1	1	302.312	-1.007	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC2(C)OCCO2)c(=O)n(C)c1=O	ZINC000271063010	373176576	/nfs/dbraw/zinc/17/65/76/373176576.db2.gz	HBCQLZHDOTWXNU-UHFFFAOYSA-N	-1	1	319.339	-1.875	20	0		DAADMM
COC(=O)c1coc(S(=O)(=O)[N-][C@@H](CO)C(=O)OC)c1	ZINC000271708231	373179440	/nfs/dbraw/zinc/17/94/40/373179440.db2.gz	IRSKTIFWKKPTBI-ZETCQYMHSA-N	-1	1	307.280	-1.122	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2CCCOC2)c(=O)n(C)c1=O	ZINC000264377035	373274687	/nfs/dbraw/zinc/27/46/87/373274687.db2.gz	KGPGBCZBUQSIBO-MRVPVSSYSA-N	-1	1	303.340	-1.459	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CO)c(=O)n(C)c1=O	ZINC000228605289	373258770	/nfs/dbraw/zinc/25/87/70/373258770.db2.gz	DPAHKTDQTHJJBA-RKDXNWHRSA-N	-1	1	317.367	-1.477	20	0		DAADMM
COC[C@H](C)S(=O)(=O)[N-][C@H](CN1CCOCC1)C(=O)OC	ZINC000583544197	373265677	/nfs/dbraw/zinc/26/56/77/373265677.db2.gz	UZQOLSHGPXDUGR-WDEREUQCSA-N	-1	1	324.399	-1.186	20	0		DAADMM
CN1CCN(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)CC1=O	ZINC000580512789	373448954	/nfs/dbraw/zinc/44/89/54/373448954.db2.gz	KWKNMWINBKSUDT-JTQLQIEISA-N	-1	1	307.358	-1.320	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC(F)(F)CO)c(=O)n(C)c1=O	ZINC000231781166	373452318	/nfs/dbraw/zinc/45/23/18/373452318.db2.gz	FZVSDIUSRBRZJN-UHFFFAOYSA-N	-1	1	313.282	-2.010	20	0		DAADMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CNC(=O)C1	ZINC000232228029	373453145	/nfs/dbraw/zinc/45/31/45/373453145.db2.gz	ZXBWHQOBTLVXPI-ZCFIWIBFSA-N	-1	1	302.312	-1.247	20	0		DAADMM
COC(=O)[C@H](O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000231649637	373454095	/nfs/dbraw/zinc/45/40/95/373454095.db2.gz	HUWPBOHAOMFTHI-ZCFIWIBFSA-N	-1	1	321.311	-3.104	20	0		DAADMM
CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000055296501	373463645	/nfs/dbraw/zinc/46/36/45/373463645.db2.gz	YITLJXKQVACOPH-ZCFIWIBFSA-N	-1	1	304.328	-2.503	20	0		DAADMM
COCCCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000056066394	373467176	/nfs/dbraw/zinc/46/71/76/373467176.db2.gz	UKUFPVGTVMXFGS-UHFFFAOYSA-N	-1	1	305.356	-1.211	20	0		DAADMM
C[C@H](CN(C)C(=O)Cn1ccc(=O)n(C)c1=O)c1nn[n-]n1	ZINC000541843265	373499265	/nfs/dbraw/zinc/49/92/65/373499265.db2.gz	DIPHQWXJKUUOBT-MRVPVSSYSA-N	-1	1	307.314	-1.678	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@H]2CCCOC2)c(=O)n(C)c1=O	ZINC000056130186	373511981	/nfs/dbraw/zinc/51/19/81/373511981.db2.gz	RTVIOGWXRXXKIM-SECBINFHSA-N	-1	1	317.367	-1.211	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CC(=O)N(C)C(=O)C2)co1	ZINC000572823393	373551143	/nfs/dbraw/zinc/55/11/43/373551143.db2.gz	ANFLKSDBHLYNAM-UHFFFAOYSA-N	-1	1	315.307	-1.372	20	0		DAADMM
C[C@@H](CN(C)C(=O)CN1CCCS1(=O)=O)c1nn[n-]n1	ZINC000574004966	373559444	/nfs/dbraw/zinc/55/94/44/373559444.db2.gz	TYXAWMFNFVIYFD-QMMMGPOBSA-N	-1	1	302.360	-1.203	20	0		DAADMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nn1cn[nH]c1=O	ZINC000272893237	130072400	/nfs/dbraw/zinc/07/24/00/130072400.db2.gz	OCZNBZKCMJTGHQ-UHFFFAOYSA-N	-1	1	303.282	-1.163	20	0		DAADMM
O=C(CN1C(=O)NC2(CCCCC2)C1=O)NN1CC(=O)[N-]C1=O	ZINC000273347103	130108874	/nfs/dbraw/zinc/10/88/74/130108874.db2.gz	AGZAUWHICFUVFJ-UHFFFAOYSA-N	-1	1	323.309	-1.176	20	0		DAADMM
COCCN(C)S(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000274924004	130275125	/nfs/dbraw/zinc/27/51/25/130275125.db2.gz	NMUKJRXZCYQLOK-VIFPVBQESA-N	-1	1	306.344	-1.182	20	0		DAADMM
COC(=O)[C@H](CO)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000275184660	130297794	/nfs/dbraw/zinc/29/77/94/130297794.db2.gz	IKZDQRMULABNDK-JTQLQIEISA-N	-1	1	322.321	-1.168	20	0		DAADMM
Cn1[n-]cc2/c(=N\C(=O)NCCN3CCNC(=O)C3)ccnc1-2	ZINC000287175353	131267447	/nfs/dbraw/zinc/26/74/47/131267447.db2.gz	NGRNSAOIUYQUFP-ODLFYWEKSA-N	-1	1	317.353	-1.105	20	0		DAADMM
CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000289456221	131387865	/nfs/dbraw/zinc/38/78/65/131387865.db2.gz	FZWXOPMIZDESEW-HTQZYQBOSA-N	-1	1	305.356	-1.214	20	0		DAADMM
CCOC(=O)[C@H](CO)[N-]S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1	ZINC000351967058	545829658	/nfs/dbraw/zinc/82/96/58/545829658.db2.gz	HTHYPFPOROIDHA-BBBLOLIVSA-N	-1	1	310.372	-1.146	20	0		DAADMM
Cc1o[n-]c(=N)c1S(=O)(=O)N[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000651815558	409376433	/nfs/dbraw/zinc/37/64/33/409376433.db2.gz	YHZFWNQFZBCQLM-SSDOTTSWSA-N	-1	1	324.384	-1.292	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCN(S(C)(=O)=O)C1	ZINC000651815558	409376437	/nfs/dbraw/zinc/37/64/37/409376437.db2.gz	YHZFWNQFZBCQLM-SSDOTTSWSA-N	-1	1	324.384	-1.292	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2C[C@@H](C(N)=O)C2)c(=O)n(C)c1=O	ZINC000651838462	409380876	/nfs/dbraw/zinc/38/08/76/409380876.db2.gz	UPBUIWXCSKQVFX-KNVOCYPGSA-N	-1	1	316.339	-2.374	20	0		DAADMM
C[C@H](CCCO)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000094947022	409390146	/nfs/dbraw/zinc/39/01/46/409390146.db2.gz	WHDWJXWYSZNWCG-MRVPVSSYSA-N	-1	1	305.356	-1.477	20	0		DAADMM
CC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(C)(C)O	ZINC000293773890	409330212	/nfs/dbraw/zinc/33/02/12/409330212.db2.gz	LFPUSYONRXMPMY-VIFPVBQESA-N	-1	1	319.383	-1.088	20	0		DAADMM
C[N@@H+](CC(=O)[O-])[C@H]1CN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)C[C@H]1O	ZINC000417372751	409417241	/nfs/dbraw/zinc/41/72/41/409417241.db2.gz	ZRVVKCZRZKLUQF-GISOBZBCSA-N	-1	1	314.338	-1.069	20	0		DAADMM
COC(=O)C[C@H]([N-]S(=O)(=O)N1CCOCC1)C(=O)OC	ZINC000330698078	409422458	/nfs/dbraw/zinc/42/24/58/409422458.db2.gz	DPZFDCWEJYQPEZ-QMMMGPOBSA-N	-1	1	310.328	-1.742	20	0		DAADMM
CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000228609679	409426564	/nfs/dbraw/zinc/42/65/64/409426564.db2.gz	ZMPBPVVEMFTIRZ-SECBINFHSA-N	-1	1	319.383	-1.231	20	0		DAADMM
CO[C@@](C)(CO)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000655621661	409427096	/nfs/dbraw/zinc/42/70/96/409427096.db2.gz	FITICLZOCVOMMK-LLVKDONJSA-N	-1	1	321.355	-2.240	20	0		DAADMM
CC[C@H](C(=O)[O-])N1CCN(C(=O)C(=O)N2CCOCC2)CC1	ZINC000345249861	409438099	/nfs/dbraw/zinc/43/80/99/409438099.db2.gz	DGCBWMJLQMPWBZ-LLVKDONJSA-N	-1	1	313.354	-1.147	20	0		DAADMM
COCC1([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1	ZINC000532195333	409455678	/nfs/dbraw/zinc/45/56/78/409455678.db2.gz	FABHCUPRBZLKTM-UHFFFAOYSA-N	-1	1	303.340	-1.459	20	0		DAADMM
COCC[C@@H]([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)C(=O)OC	ZINC000352593354	409471979	/nfs/dbraw/zinc/47/19/79/409471979.db2.gz	PUPVESALDCDFIN-RKDXNWHRSA-N	-1	1	310.372	-1.039	20	0		DAADMM
NC(=O)[C@@]1(O)CCN(C(=O)CNC(=O)c2ncccc2[O-])C1	ZINC000355066592	409479541	/nfs/dbraw/zinc/47/95/41/409479541.db2.gz	KJARQXNGHREMKL-CYBMUJFWSA-N	-1	1	308.294	-2.034	20	0		DAADMM
NC(=O)[C@]1(O)CCN(C(=O)CNC(=O)c2ncccc2[O-])C1	ZINC000355066593	409479974	/nfs/dbraw/zinc/47/99/74/409479974.db2.gz	KJARQXNGHREMKL-ZDUSSCGKSA-N	-1	1	308.294	-2.034	20	0		DAADMM
CNC(=O)[C@H](CO)[N-]S(=O)(=O)c1ccc(C(=O)OC)o1	ZINC000357145038	409489090	/nfs/dbraw/zinc/48/90/90/409489090.db2.gz	LCNLRDTYUXDUAJ-LURJTMIESA-N	-1	1	306.296	-1.549	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@](C)(O)C(=O)OC)co1	ZINC000358900318	409500320	/nfs/dbraw/zinc/50/03/20/409500320.db2.gz	HNXWUKXRVZAZFZ-LLVKDONJSA-N	-1	1	320.323	-1.159	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2CNC(=O)C2)c(=O)n(C)c1=O	ZINC000358876089	409501146	/nfs/dbraw/zinc/50/11/46/409501146.db2.gz	AOMBCUNINFDNLJ-LURJTMIESA-N	-1	1	302.312	-2.749	20	0		DAADMM
CCN1CCN(CC(=O)NC(C)(C)c2nn[n-]n2)C(=O)C1=O	ZINC000359788582	409505443	/nfs/dbraw/zinc/50/54/43/409505443.db2.gz	MXBKCJLHCAMZPL-UHFFFAOYSA-N	-1	1	309.330	-1.758	20	0		DAADMM
CNS(=O)(=O)NCC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000653028464	409528603	/nfs/dbraw/zinc/52/86/03/409528603.db2.gz	IUBADODFNIOLAI-SSDOTTSWSA-N	-1	1	319.343	-1.465	20	0		DAADMM
CNS(=O)(=O)CCNC(=O)CNC(=O)c1ncccc1[O-]	ZINC000440165655	409582364	/nfs/dbraw/zinc/58/23/64/409582364.db2.gz	ASXSIDQKVXTNSA-UHFFFAOYSA-N	-1	1	316.339	-1.818	20	0		DAADMM
COC(=O)[C@H](NC(=O)CNC(=O)c1ncccc1[O-])[C@H](C)O	ZINC000442920558	409586910	/nfs/dbraw/zinc/58/69/10/409586910.db2.gz	HCXJTDQRPBXYKV-OIBJUYFYSA-N	-1	1	311.294	-1.444	20	0		DAADMM
C[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000158796817	409590223	/nfs/dbraw/zinc/59/02/23/409590223.db2.gz	DKVQSDWRTBLMFB-JGVFFNPUSA-N	-1	1	305.356	-1.621	20	0		DAADMM
COC(=O)CCN(C)S(=O)(=O)[N-][C@@]1(C(=O)OC)CCOC1	ZINC000447162382	409593298	/nfs/dbraw/zinc/59/32/98/409593298.db2.gz	HXHZTXBVPIUMJF-NSHDSACASA-N	-1	1	324.355	-1.352	20	0		DAADMM
CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000451881115	409596755	/nfs/dbraw/zinc/59/67/55/409596755.db2.gz	XUZJFEPSEBWNBG-RKDXNWHRSA-N	-1	1	317.367	-1.070	20	0		DAADMM
Cc1nn(CC(=O)NC2(c3nn[n-]n3)CCCC2)c(=O)n1C	ZINC000654807147	409666241	/nfs/dbraw/zinc/66/62/41/409666241.db2.gz	XFPWPRVAPUHWJN-UHFFFAOYSA-N	-1	1	306.330	-1.011	20	0		DAADMM
CO[C@H](CS(=O)(=O)[N-][C@H]1CC(=O)N(C)C1=O)[C@H]1CCOC1	ZINC000656983751	409679145	/nfs/dbraw/zinc/67/91/45/409679145.db2.gz	UDNLFFLRCHVPHV-LPEHRKFASA-N	-1	1	320.367	-1.285	20	0		DAADMM
Nc1noc(CCNC(=O)CNC(=O)c2ncccc2[O-])n1	ZINC000343280918	409810938	/nfs/dbraw/zinc/81/09/38/409810938.db2.gz	AJMCQVILHOTMRT-UHFFFAOYSA-N	-1	1	306.282	-1.159	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCC(=O)N(C)C1=O	ZINC000425233373	409810968	/nfs/dbraw/zinc/81/09/68/409810968.db2.gz	XZMPNMBROPEMCI-ZCFIWIBFSA-N	-1	1	302.312	-1.009	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]CC1(C(N)=O)CCOCC1	ZINC000439215603	409811509	/nfs/dbraw/zinc/81/15/09/409811509.db2.gz	MZOPXDXSGOLAPV-UHFFFAOYSA-N	-1	1	318.355	-0.874	20	0		DAADMM
CO[C@@H](C)CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000263843899	262496988	/nfs/dbraw/zinc/49/69/88/262496988.db2.gz	YYMFQIHQEWZGNT-QMMMGPOBSA-N	-1	1	305.356	-1.213	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@](C)(O)C(=O)OC)o1	ZINC000358514017	262583347	/nfs/dbraw/zinc/58/33/47/262583347.db2.gz	NFCCHQBWVLFNGC-LLVKDONJSA-N	-1	1	320.323	-1.159	20	0		DAADMM
COCC[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])C(N)=O	ZINC000343298058	263231460	/nfs/dbraw/zinc/23/14/60/263231460.db2.gz	IAQIKRBKBFYANU-MRVPVSSYSA-N	-1	1	310.310	-1.476	20	0		DAADMM
C[C@@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000343990403	263238677	/nfs/dbraw/zinc/23/86/77/263238677.db2.gz	PVNZVWWRFCLGMC-UFBFGSQYSA-N	-1	1	317.367	-1.070	20	0		DAADMM
CN(CC(C)(CO)CO)C(=O)CNC(=O)c1ncccc1[O-]	ZINC000357269406	263248937	/nfs/dbraw/zinc/24/89/37/263248937.db2.gz	GBMUGUJYFSMPST-UHFFFAOYSA-N	-1	1	311.338	-1.034	20	0		DAADMM
CC(C)(NC(=O)CCN1CCCS1(=O)=O)c1nn[n-]n1	ZINC000359788705	263259611	/nfs/dbraw/zinc/25/96/11/263259611.db2.gz	NQCXSHRJWQDRCS-UHFFFAOYSA-N	-1	1	302.360	-1.023	20	0		DAADMM
CO[C@@H]1C[C@H](C(N)=O)N(C(=O)CNC(=O)c2ncccc2[O-])C1	ZINC000345000468	263264153	/nfs/dbraw/zinc/26/41/53/263264153.db2.gz	FMUJMIIDPXCCTH-RKDXNWHRSA-N	-1	1	322.321	-1.382	20	0		DAADMM
COCCN1C[C@@H](C(=O)N2CCO[C@H](c3nn[n-]n3)C2)CC1=O	ZINC000370859633	263267545	/nfs/dbraw/zinc/26/75/45/263267545.db2.gz	HNACICYNPSBBRZ-UWVGGRQHSA-N	-1	1	324.341	-1.406	20	0		DAADMM
O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)Nc1nnn[n-]1	ZINC000352978626	263268438	/nfs/dbraw/zinc/26/84/38/263268438.db2.gz	XNOLQRWDMJFMLI-UHFFFAOYSA-N	-1	1	322.310	-1.007	20	0		DAADMM
O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)Nc1nn[n-]n1	ZINC000352978626	263268441	/nfs/dbraw/zinc/26/84/41/263268441.db2.gz	XNOLQRWDMJFMLI-UHFFFAOYSA-N	-1	1	322.310	-1.007	20	0		DAADMM
C[C@H]1OCCN(C(=O)CNC(=O)c2ncccc2[O-])[C@H]1C(N)=O	ZINC000348828951	263279951	/nfs/dbraw/zinc/27/99/51/263279951.db2.gz	RVEYWOIRHZAKKV-PRHODGIISA-N	-1	1	322.321	-1.382	20	0		DAADMM
CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000333135371	263280013	/nfs/dbraw/zinc/28/00/13/263280013.db2.gz	CFWPCQCCSWNRNK-BDAKNGLRSA-N	-1	1	317.367	-1.070	20	0		DAADMM
CC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H](O)CC	ZINC000313078527	263280441	/nfs/dbraw/zinc/28/04/41/263280441.db2.gz	FSRFACLRVDCRTR-BDAKNGLRSA-N	-1	1	319.383	-1.088	20	0		DAADMM
C/C=C\C[C@H](CO)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000351608836	263292535	/nfs/dbraw/zinc/29/25/35/263292535.db2.gz	OMZYFORPXWXGBX-XRVBUDJMSA-N	-1	1	317.367	-1.311	20	0		DAADMM
COC[C@@H](C(N)=O)N(C)C(=O)CNC(=O)c1ncccc1[O-]	ZINC000354623969	263306290	/nfs/dbraw/zinc/30/62/90/263306290.db2.gz	NHKROWZRPJNAMP-QMMMGPOBSA-N	-1	1	310.310	-1.524	20	0		DAADMM
COC(=O)[C@H]([N-]S(=O)(=O)N1C[C@H](C)OC[C@@H]1C)[C@@H](C)O	ZINC000444191892	263315048	/nfs/dbraw/zinc/31/50/48/263315048.db2.gz	JBEFLGVGJNRATE-AXTSPUMRSA-N	-1	1	310.372	-1.148	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])NCCN1CCNC(=O)C1	ZINC000357987699	263320708	/nfs/dbraw/zinc/32/07/08/263320708.db2.gz	MHLLEQKPFKBXEZ-UHFFFAOYSA-N	-1	1	321.337	-1.935	20	0		DAADMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H](O)C(=O)OC	ZINC000226553128	263324077	/nfs/dbraw/zinc/32/40/77/263324077.db2.gz	LUQRTWMNWQDOHC-SSDOTTSWSA-N	-1	1	321.311	-1.601	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)CCCC(N)=O)C1	ZINC001194494458	782040599	/nfs/dbraw/zinc/04/05/99/782040599.db2.gz	TZRXGJMXCKVKNM-SNVBAGLBSA-N	-1	1	324.385	-1.203	20	0		DAADMM
Cc1cc(C(=O)Nc2nn[n-]n2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000265701083	280375996	/nfs/dbraw/zinc/37/59/96/280375996.db2.gz	QSUOBRLALKHJQT-UHFFFAOYSA-N	-1	1	316.281	-1.294	20	0		DAADMM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCO1	ZINC000271271655	297285753	/nfs/dbraw/zinc/28/57/53/297285753.db2.gz	ONYIRXWHKFKRMI-BDAKNGLRSA-N	-1	1	317.367	-1.070	20	0		DAADMM
CC[C@@H](F)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001195320065	782064223	/nfs/dbraw/zinc/06/42/23/782064223.db2.gz	WFTGTRXBULBFKL-IWSPIJDZSA-N	-1	1	301.322	-1.482	20	0		DAADMM
CC(C)[C@@H](F)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001195422929	782067620	/nfs/dbraw/zinc/06/76/20/782067620.db2.gz	PNFHNJFLJLCZCO-FXPVBKGRSA-N	-1	1	315.349	-1.236	20	0		DAADMM
CNC(=O)CC(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001195611947	782075005	/nfs/dbraw/zinc/07/50/05/782075005.db2.gz	HDLGPWWYLNNFSQ-UHFFFAOYSA-N	-1	1	310.358	-1.721	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C3(CF)CC3)C2)nc1=O	ZINC001196106594	782093314	/nfs/dbraw/zinc/09/33/14/782093314.db2.gz	OBBINUTVDSAOEX-RKDXNWHRSA-N	-1	1	313.333	-1.481	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2C=C[C@H](CO)C2)c(=O)n(C)c1=O	ZINC000532774723	336270556	/nfs/dbraw/zinc/27/05/56/336270556.db2.gz	BMNPCIHLDBOGFY-DTWKUNHWSA-N	-1	1	315.351	-1.701	20	0		DAADMM
COC(=O)C(C)(C)CS(=O)(=O)[N-][C@@]1(C(N)=O)CCOC1	ZINC000572780179	341703942	/nfs/dbraw/zinc/70/39/42/341703942.db2.gz	CJKAGBAUGHVMBI-NSHDSACASA-N	-1	1	308.356	-1.251	20	0		DAADMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCn1ncnn1	ZINC000380116882	341899728	/nfs/dbraw/zinc/89/97/28/341899728.db2.gz	AZEQLUMHZJOZDD-UHFFFAOYSA-N	-1	1	315.315	-1.449	20	0		DAADMM
O=C(NC1(c2nn[n-]n2)CCCC1)c1cnn(C[C@@H](O)CO)c1	ZINC000668868615	545672736	/nfs/dbraw/zinc/67/27/36/545672736.db2.gz	CUWJQPFNZMPERO-SNVBAGLBSA-N	-1	1	321.341	-1.051	20	0		DAADMM
NS(=O)(=O)CCCNC(=O)CNC(=O)c1ncccc1[O-]	ZINC000343148721	545696061	/nfs/dbraw/zinc/69/60/61/545696061.db2.gz	GQVFOLVOIATIAI-UHFFFAOYSA-N	-1	1	316.339	-1.688	20	0		DAADMM
O=C(Cn1nc2n(c1=O)CCCCC2)NN1CC(=O)[N-]C1=O	ZINC000377418214	545756609	/nfs/dbraw/zinc/75/66/09/545756609.db2.gz	BXEQEYDEBNUEGB-UHFFFAOYSA-N	-1	1	308.298	-1.646	20	0		DAADMM
CC(C)[C@H](C(=O)NCc1nn[n-]n1)N1CCCS1(=O)=O	ZINC000676473024	545872150	/nfs/dbraw/zinc/87/21/50/545872150.db2.gz	LOAJAPZUVOJQEO-SECBINFHSA-N	-1	1	302.360	-1.124	20	0		DAADMM
CN(C)S(=O)(=O)c1cc(C(=O)NCc2nn[n-]n2)n(C)c1	ZINC000679306643	545879163	/nfs/dbraw/zinc/87/91/63/545879163.db2.gz	QMFMPCKYCIOBMW-UHFFFAOYSA-N	-1	1	313.343	-1.282	20	0		DAADMM
COC[C@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1	ZINC000736969985	598853846	/nfs/dbraw/zinc/85/38/46/598853846.db2.gz	ABNRTRAPFPJVGD-QMMMGPOBSA-N	-1	1	321.341	-1.263	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@H](CO)C2)n(C)c1=O	ZINC000737593983	598857239	/nfs/dbraw/zinc/85/72/39/598857239.db2.gz	VKHDACAPEMYPTB-ZETCQYMHSA-N	-1	1	307.314	-1.917	20	0		DAADMM
CCn1cc(-c2nn[n-]n2)c(=O)n(C[C@H]2CCOCO2)c1=O	ZINC000736713737	598891795	/nfs/dbraw/zinc/89/17/95/598891795.db2.gz	NCNJCAGIQTUUKQ-MRVPVSSYSA-N	-1	1	308.298	-1.027	20	0		DAADMM
CCn1cc(-c2nn[n-]n2)c(=O)n(C[C@@H]2CCOCO2)c1=O	ZINC000736713738	598891812	/nfs/dbraw/zinc/89/18/12/598891812.db2.gz	NCNJCAGIQTUUKQ-QMMMGPOBSA-N	-1	1	308.298	-1.027	20	0		DAADMM
COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCOCCO)c1	ZINC000736941843	598891928	/nfs/dbraw/zinc/89/19/28/598891928.db2.gz	WPYBRFIMPLDFLK-UHFFFAOYSA-N	-1	1	309.282	-1.176	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](CO)C2CC2)n(C)c1=O	ZINC000737597763	598944765	/nfs/dbraw/zinc/94/47/65/598944765.db2.gz	UPRXXZGYPXLULX-SSDOTTSWSA-N	-1	1	307.314	-1.553	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H]2CCC[C@@H]2O)n(C)c1=O	ZINC000737595124	599323240	/nfs/dbraw/zinc/32/32/40/599323240.db2.gz	GVDHKYQFGYNIFF-YUMQZZPRSA-N	-1	1	321.341	-1.163	20	0		DAADMM
O=C(NCCN1C(=O)CNC1=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000738074651	599034054	/nfs/dbraw/zinc/03/40/54/599034054.db2.gz	GSEHERHSYQQIIR-UHFFFAOYSA-N	-1	1	316.281	-1.457	20	0		DAADMM
O=C(NCCN1C(=O)CNC1=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000738074651	599034056	/nfs/dbraw/zinc/03/40/56/599034056.db2.gz	GSEHERHSYQQIIR-UHFFFAOYSA-N	-1	1	316.281	-1.457	20	0		DAADMM
CS(=O)(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1	ZINC000737169290	599206475	/nfs/dbraw/zinc/20/64/75/599206475.db2.gz	RQHLZMQVKWAURI-SSDOTTSWSA-N	-1	1	310.343	-1.215	20	0		DAADMM
CS(=O)(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1	ZINC000737169290	599206478	/nfs/dbraw/zinc/20/64/78/599206478.db2.gz	RQHLZMQVKWAURI-SSDOTTSWSA-N	-1	1	310.343	-1.215	20	0		DAADMM
C[S@@](=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000737173412	599210809	/nfs/dbraw/zinc/21/08/09/599210809.db2.gz	ODMKMAYQFSFYST-LJQANCHMSA-N	-1	1	316.368	-1.082	20	0		DAADMM
C[S@@](=O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000737173412	599210812	/nfs/dbraw/zinc/21/08/12/599210812.db2.gz	ODMKMAYQFSFYST-LJQANCHMSA-N	-1	1	316.368	-1.082	20	0		DAADMM
CCn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)N(C)OC)c1=O	ZINC000736713719	599284268	/nfs/dbraw/zinc/28/42/68/599284268.db2.gz	MKQVXIZZSIXBCK-UHFFFAOYSA-N	-1	1	309.286	-1.770	20	0		DAADMM
CC(=O)NCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000735473919	598260086	/nfs/dbraw/zinc/26/00/86/598260086.db2.gz	LFWSNSHEFHBHET-UHFFFAOYSA-N	-1	1	311.327	-1.324	20	0		DAADMM
CC(=O)NCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000735473919	598260088	/nfs/dbraw/zinc/26/00/88/598260088.db2.gz	LFWSNSHEFHBHET-UHFFFAOYSA-N	-1	1	311.327	-1.324	20	0		DAADMM
O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)NC1CC1	ZINC000737895263	598262404	/nfs/dbraw/zinc/26/24/04/598262404.db2.gz	OAZZMIAOUDKZGM-UHFFFAOYSA-N	-1	1	323.338	-1.181	20	0		DAADMM
O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)NC1CC1	ZINC000737895263	598262406	/nfs/dbraw/zinc/26/24/06/598262406.db2.gz	OAZZMIAOUDKZGM-UHFFFAOYSA-N	-1	1	323.338	-1.181	20	0		DAADMM
O[C@@H](CNc1nccnc1-c1nnn[n-]1)CN1CCOCC1	ZINC000738381013	598339460	/nfs/dbraw/zinc/33/94/60/598339460.db2.gz	FMDVXHYYUCLCGH-VIFPVBQESA-N	-1	1	306.330	-1.238	20	0		DAADMM
O[C@@H](CNc1nccnc1-c1nn[n-]n1)CN1CCOCC1	ZINC000738381013	598339462	/nfs/dbraw/zinc/33/94/62/598339462.db2.gz	FMDVXHYYUCLCGH-VIFPVBQESA-N	-1	1	306.330	-1.238	20	0		DAADMM
NS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1	ZINC000737767096	598341129	/nfs/dbraw/zinc/34/11/29/598341129.db2.gz	XSJNXAXMZXFESM-UHFFFAOYSA-N	-1	1	311.331	-2.018	20	0		DAADMM
NS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1	ZINC000737767096	598341130	/nfs/dbraw/zinc/34/11/30/598341130.db2.gz	XSJNXAXMZXFESM-UHFFFAOYSA-N	-1	1	311.331	-2.018	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2CCCNC(=O)C2)n(C)c1=O	ZINC000737598101	598368468	/nfs/dbraw/zinc/36/84/68/598368468.db2.gz	YPOIGFOXLKMNJI-UHFFFAOYSA-N	-1	1	320.313	-2.410	20	0		DAADMM
CN(C[C@@H]1CCCO1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736791340	598373660	/nfs/dbraw/zinc/37/36/60/598373660.db2.gz	LOBJCYIWOLZJPH-QMMMGPOBSA-N	-1	1	321.341	-1.121	20	0		DAADMM
CNC(=O)CCN(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736874579	598506288	/nfs/dbraw/zinc/50/62/88/598506288.db2.gz	RWZSMAPFVOLWAR-UHFFFAOYSA-N	-1	1	322.329	-2.164	20	0		DAADMM
Nc1c(-c2nn[nH]n2)cnn1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000737775837	598530310	/nfs/dbraw/zinc/53/03/10/598530310.db2.gz	FTJOHSSIBOIAGA-UHFFFAOYSA-N	-1	1	317.269	-1.774	20	0		DAADMM
CO[C@@H]1CCCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1	ZINC000736963166	598553134	/nfs/dbraw/zinc/55/31/34/598553134.db2.gz	SSPPKKRHDMODIZ-MRVPVSSYSA-N	-1	1	321.341	-1.121	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N(CCO)CCO)n(C)c1=O	ZINC000737589441	599322369	/nfs/dbraw/zinc/32/23/69/599322369.db2.gz	DYJDDZXGHHQGKJ-UHFFFAOYSA-N	-1	1	311.302	-2.945	20	0		DAADMM
CN1CC[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1=O	ZINC000736857043	599535121	/nfs/dbraw/zinc/53/51/21/599535121.db2.gz	RKPVDHCGOIOOHW-LURJTMIESA-N	-1	1	320.313	-2.093	20	0		DAADMM
CN1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1=O	ZINC000736856094	599597346	/nfs/dbraw/zinc/59/73/46/599597346.db2.gz	MGXSEFZYKXATIO-VIFPVBQESA-N	-1	1	323.338	-1.229	20	0		DAADMM
CN1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1=O	ZINC000736856094	599597347	/nfs/dbraw/zinc/59/73/47/599597347.db2.gz	MGXSEFZYKXATIO-VIFPVBQESA-N	-1	1	323.338	-1.229	20	0		DAADMM
CS(=O)(=O)NCCN(CCN1CCOCC1)CC(=O)[O-]	ZINC000738165160	600146130	/nfs/dbraw/zinc/14/61/30/600146130.db2.gz	PPRHSBKPOBHWSZ-UHFFFAOYSA-N	-1	1	309.388	-1.746	20	0		DAADMM
CN(C)C(=O)CN1CCN(CCC(=O)N(C)CC(=O)[O-])CC1	ZINC000737349600	600286280	/nfs/dbraw/zinc/28/62/80/600286280.db2.gz	BMUVHVBXUDZIFH-UHFFFAOYSA-N	-1	1	314.386	-1.375	20	0		DAADMM
CS(=O)(=O)N1CCCN(CCC(=O)NCC(=O)[O-])CC1	ZINC000738158084	600287169	/nfs/dbraw/zinc/28/71/69/600287169.db2.gz	QFDQWXPUNQTKRW-UHFFFAOYSA-N	-1	1	307.372	-1.455	20	0		DAADMM
O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000823525870	607448756	/nfs/dbraw/zinc/44/87/56/607448756.db2.gz	UZUIBLVKALDRSI-MRVPVSSYSA-N	-1	1	301.266	-1.203	20	0		DAADMM
O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000823525870	607448758	/nfs/dbraw/zinc/44/87/58/607448758.db2.gz	UZUIBLVKALDRSI-MRVPVSSYSA-N	-1	1	301.266	-1.203	20	0		DAADMM
CNS(=O)(=O)[C@@H]1CCCN(CCC(=O)N(C)CC(=O)[O-])C1	ZINC000737551767	600642238	/nfs/dbraw/zinc/64/22/38/600642238.db2.gz	ATBKHKJSLUKWFP-SNVBAGLBSA-N	-1	1	321.399	-1.067	20	0		DAADMM
CNS(=O)(=O)[C@@H]1CCCN(CCC(=O)NCC(=O)[O-])C1	ZINC000737554139	600642719	/nfs/dbraw/zinc/64/27/19/600642719.db2.gz	XAPLBMWEPRQAOX-SECBINFHSA-N	-1	1	307.372	-1.409	20	0		DAADMM
CCN1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])CC1	ZINC000829770188	600887111	/nfs/dbraw/zinc/88/71/11/600887111.db2.gz	FWCDIUPXNONRIZ-LLVKDONJSA-N	-1	1	312.370	-1.574	20	0		DAADMM
CN(CC(=O)[O-])C(=O)CCN1CCN(C(C)(C)C(N)=O)CC1	ZINC000830691823	601045510	/nfs/dbraw/zinc/04/55/10/601045510.db2.gz	DODVBWRBJODAHF-UHFFFAOYSA-N	-1	1	314.386	-1.199	20	0		DAADMM
C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1	ZINC000827368758	601104738	/nfs/dbraw/zinc/10/47/38/601104738.db2.gz	JOZJFVFJCXUDNE-JTQLQIEISA-N	-1	1	324.337	-1.044	20	0		DAADMM
C[C@H](CN1CCN(C)CC1)NC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000827460752	601200273	/nfs/dbraw/zinc/20/02/73/601200273.db2.gz	AWRUPXNWVPIPQL-SNVBAGLBSA-N	-1	1	310.358	-1.272	20	0		DAADMM
CC(C)(O)CN1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1	ZINC000387418412	601283027	/nfs/dbraw/zinc/28/30/27/601283027.db2.gz	KIWGHUPVFGKMMY-UHFFFAOYSA-N	-1	1	311.342	-1.109	20	0		DAADMM
C[C@H](C(=O)NCC(=O)[O-])N(C)C[C@@H](O)CN1CCOCC1	ZINC000825999643	601326523	/nfs/dbraw/zinc/32/65/23/601326523.db2.gz	GHOUIKNYBSHBTO-GHMZBOCLSA-N	-1	1	303.359	-1.799	20	0		DAADMM
CN1CCN(CCNC(=O)[C@H]2COCCN2C(=O)[O-])CC1	ZINC000739736844	602832108	/nfs/dbraw/zinc/83/21/08/602832108.db2.gz	IITPWYBZDDCUBU-LLVKDONJSA-N	-1	1	300.359	-1.271	20	0		DAADMM
C[C@H](CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-])N1CCN(C)CC1	ZINC000738917924	603097834	/nfs/dbraw/zinc/09/78/34/603097834.db2.gz	ZHWFJXVKXYKVBL-WOPDTQHZSA-N	-1	1	314.386	-1.148	20	0		DAADMM
C[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-])N1CCN(C)CC1	ZINC000738917923	603098279	/nfs/dbraw/zinc/09/82/79/603098279.db2.gz	ZHWFJXVKXYKVBL-UTUOFQBUSA-N	-1	1	314.386	-1.148	20	0		DAADMM
COCCN(CC(=O)N1CCO[C@H](c2nn[nH]n2)C1)C(=O)[O-]	ZINC000739821857	603112625	/nfs/dbraw/zinc/11/26/25/603112625.db2.gz	GVYWORMOGNFGOG-QMMMGPOBSA-N	-1	1	314.302	-1.274	20	0		DAADMM
COC(=O)C1(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CCC1	ZINC000826123733	607618868	/nfs/dbraw/zinc/61/88/68/607618868.db2.gz	IMDYUYQJKHPODM-UHFFFAOYSA-N	-1	1	306.286	-1.330	20	0		DAADMM
O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@H](c2nn[nH]n2)C1	ZINC000831271597	603772069	/nfs/dbraw/zinc/77/20/69/603772069.db2.gz	DGBSFWCTWPEMDT-CSMHCCOUSA-N	-1	1	312.286	-1.787	20	0		DAADMM
O=C([O-])N1CC(OCC(=O)N2CCO[C@@H](c3nn[nH]n3)C2)C1	ZINC000831859068	604003993	/nfs/dbraw/zinc/00/39/93/604003993.db2.gz	RJCLWNSYVZTHOP-MRVPVSSYSA-N	-1	1	312.286	-1.522	20	0		DAADMM
O=C([O-])N1CC(OCC(=O)N2CCO[C@H](c3nn[nH]n3)C2)C1	ZINC000831859069	604004103	/nfs/dbraw/zinc/00/41/03/604004103.db2.gz	RJCLWNSYVZTHOP-QMMMGPOBSA-N	-1	1	312.286	-1.522	20	0		DAADMM
C[C@H]1COCCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1	ZINC000825007577	607822476	/nfs/dbraw/zinc/82/24/76/607822476.db2.gz	ZOYUISQGWUCXHV-MRVPVSSYSA-N	-1	1	321.341	-1.263	20	0		DAADMM
C[C@H](C(=O)NCC(=O)[O-])N1CCN(C(=O)CN(C)C)CC1	ZINC000826001691	604960005	/nfs/dbraw/zinc/96/00/05/604960005.db2.gz	YGVHTAKCJCSJFO-SNVBAGLBSA-N	-1	1	300.359	-1.719	20	0		DAADMM
C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)CCN1CCC(=O)[O-]	ZINC000833619809	605276845	/nfs/dbraw/zinc/27/68/45/605276845.db2.gz	CLMJZUYABHACRB-SNVBAGLBSA-N	-1	1	324.337	-1.044	20	0		DAADMM
O=C([O-])NCC(=O)NCC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000834197232	605343160	/nfs/dbraw/zinc/34/31/60/605343160.db2.gz	XMOTUMSQDAEZJQ-ZJUUUORDSA-N	-1	1	314.342	-1.650	20	0		DAADMM
O=C([O-])NCC(=O)NCC(=O)NC1(c2nn[nH]n2)CCCC1	ZINC000834197362	605386145	/nfs/dbraw/zinc/38/61/45/605386145.db2.gz	SEILIVVNLZUZKK-UHFFFAOYSA-N	-1	1	311.302	-1.531	20	0		DAADMM
O=C([O-])NCC(=O)NCC(=O)N1CCC[C@H](c2nn[nH]n2)C1	ZINC000834194095	605398916	/nfs/dbraw/zinc/39/89/16/605398916.db2.gz	KINGLLHGOHMCNA-ZETCQYMHSA-N	-1	1	311.302	-1.711	20	0		DAADMM
O=C([O-])N1CCN(C(=O)CN[C@@H]2CCCS(=O)(=O)C2)CC1	ZINC000834115535	605962922	/nfs/dbraw/zinc/96/29/22/605962922.db2.gz	LEMQMWKDKFMSCW-SNVBAGLBSA-N	-1	1	319.383	-1.025	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@@H](CO)C2)n(C)c1=O	ZINC000822599133	606105343	/nfs/dbraw/zinc/10/53/43/606105343.db2.gz	AIQJAPXPJZFBSL-SSDOTTSWSA-N	-1	1	323.313	-2.538	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NCC2(CO)CC2)n(C)c1=O	ZINC000822599617	606142565	/nfs/dbraw/zinc/14/25/65/606142565.db2.gz	GJJFDKAXTKLAFJ-UHFFFAOYSA-N	-1	1	307.314	-1.552	20	0		DAADMM
CN(C[C@@H](O)C1CC1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000821595112	606200334	/nfs/dbraw/zinc/20/03/34/606200334.db2.gz	NCUQZHPOAZASFO-MRVPVSSYSA-N	-1	1	321.341	-1.529	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NC2(CO)CCCC2)n(C)c1=O	ZINC000822599322	606227211	/nfs/dbraw/zinc/22/72/11/606227211.db2.gz	DBMPKQBQCDZLER-UHFFFAOYSA-N	-1	1	321.341	-1.019	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2C=C[C@H](CO)C2)n(C)c1=O	ZINC000822599552	606240906	/nfs/dbraw/zinc/24/09/06/606240906.db2.gz	FGUOJKHWONTSJF-JGVFFNPUSA-N	-1	1	319.325	-1.387	20	0		DAADMM
O=C(COc1ccc(-c2nn[nH]n2)cc1)NN1CC(=O)[N-]C1=O	ZINC000823535570	606579003	/nfs/dbraw/zinc/57/90/03/606579003.db2.gz	BCPKMSXSGWDXJT-UHFFFAOYSA-N	-1	1	317.265	-1.172	20	0		DAADMM
O=C(Cc1cccc(-c2nn[nH]n2)c1)NN1CC(=O)[N-]C1=O	ZINC000823536227	606591182	/nfs/dbraw/zinc/59/11/82/606591182.db2.gz	XAHSTGHFXDDCNM-UHFFFAOYSA-N	-1	1	301.266	-1.008	20	0		DAADMM
CNC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C	ZINC000821632634	606853671	/nfs/dbraw/zinc/85/36/71/606853671.db2.gz	BEFTWYVRZCSTOX-VIFPVBQESA-N	-1	1	317.357	-1.087	20	0		DAADMM
CNC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C	ZINC000821632634	606853672	/nfs/dbraw/zinc/85/36/72/606853672.db2.gz	BEFTWYVRZCSTOX-VIFPVBQESA-N	-1	1	317.357	-1.087	20	0		DAADMM
CC[C@@H](O)CCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000820932544	606879698	/nfs/dbraw/zinc/87/96/98/606879698.db2.gz	ORDREFVEAXMXEL-SSDOTTSWSA-N	-1	1	309.330	-1.163	20	0		DAADMM
C[C@@H]1[C@H](C)OCCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000820819183	607028982	/nfs/dbraw/zinc/02/89/82/607028982.db2.gz	GFONBXAHXGSISM-SFYZADRCSA-N	-1	1	321.341	-1.122	20	0		DAADMM
CC[C@](C)(NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)OC	ZINC000820853746	607212118	/nfs/dbraw/zinc/21/21/18/607212118.db2.gz	ORMWKEJRWKKVNW-NSHDSACASA-N	-1	1	308.302	-1.084	20	0		DAADMM
COC(=O)[C@@H]1CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821654966	607207374	/nfs/dbraw/zinc/20/73/74/607207374.db2.gz	BICRABBSYMOEGW-ZETCQYMHSA-N	-1	1	306.286	-1.378	20	0		DAADMM
CNC(=O)[C@@H]1CCCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821631682	607207504	/nfs/dbraw/zinc/20/75/04/607207504.db2.gz	PPYQDELXKFICFD-QMMMGPOBSA-N	-1	1	319.329	-1.415	20	0		DAADMM
CCCCN(CC(N)=O)C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821062112	607208050	/nfs/dbraw/zinc/20/80/50/607208050.db2.gz	SVXSRBOEVQEETG-UHFFFAOYSA-N	-1	1	307.318	-1.428	20	0		DAADMM
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000820875829	607211493	/nfs/dbraw/zinc/21/14/93/607211493.db2.gz	GQJDAKCGIHPVLZ-HTQZYQBOSA-N	-1	1	321.345	-1.122	20	0		DAADMM
CC(C)N1C[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1=O	ZINC000820127512	607212309	/nfs/dbraw/zinc/21/23/09/607212309.db2.gz	JAGYCZAPHSOULF-MRVPVSSYSA-N	-1	1	319.329	-1.416	20	0		DAADMM
CC(C)N1C[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1=O	ZINC000820127520	607212407	/nfs/dbraw/zinc/21/24/07/607212407.db2.gz	JAGYCZAPHSOULF-QMMMGPOBSA-N	-1	1	319.329	-1.416	20	0		DAADMM
C[C@@H]1COCCN1CCNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000820813401	607214174	/nfs/dbraw/zinc/21/41/74/607214174.db2.gz	GGUQOXIWVTZBCM-SECBINFHSA-N	-1	1	321.345	-1.705	20	0		DAADMM
CC[C@H]1C(=O)NCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000820966985	607214875	/nfs/dbraw/zinc/21/48/75/607214875.db2.gz	JLPZNQYFUHKCCP-ZETCQYMHSA-N	-1	1	305.302	-1.805	20	0		DAADMM
COC(=O)[C@@](C)(NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC1	ZINC000821638999	607218173	/nfs/dbraw/zinc/21/81/73/607218173.db2.gz	MSRTZHUACSLFSV-LBPRGKRZSA-N	-1	1	320.313	-1.084	20	0		DAADMM
COC(=O)[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC1	ZINC000821640607	607220817	/nfs/dbraw/zinc/22/08/17/607220817.db2.gz	LMMWCHAUAJXZMZ-QMMMGPOBSA-N	-1	1	306.286	-1.474	20	0		DAADMM
COC(=O)[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@H]1C	ZINC000821655633	607223161	/nfs/dbraw/zinc/22/31/61/607223161.db2.gz	ONXUTRQSDKYXTK-SFYZADRCSA-N	-1	1	320.313	-1.274	20	0		DAADMM
CC1(C)OC[C@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)O1	ZINC000820607575	607223559	/nfs/dbraw/zinc/22/35/59/607223559.db2.gz	WIOFVTMYTUHHTE-ZETCQYMHSA-N	-1	1	308.302	-1.274	20	0		DAADMM
CC(C)[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(N)=O	ZINC000820026702	607225371	/nfs/dbraw/zinc/22/53/71/607225371.db2.gz	LYQQWGXZMVXHQJ-SSDOTTSWSA-N	-1	1	322.329	-1.814	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@]2(O)CCOC2)n(C)c1=O	ZINC000826356051	607851215	/nfs/dbraw/zinc/85/12/15/607851215.db2.gz	YPPWZWITZFVALH-LBPRGKRZSA-N	-1	1	323.313	-2.173	20	0		DAADMM
CN(c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@H]1CCNC1=O	ZINC000826003958	607969662	/nfs/dbraw/zinc/96/96/62/607969662.db2.gz	BWMPLWJILGDLHT-LURJTMIESA-N	-1	1	320.313	-2.411	20	0		DAADMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC(=O)NCCO)n1	ZINC000826356767	608007943	/nfs/dbraw/zinc/00/79/43/608007943.db2.gz	FAJWJGVYUFKNMS-UHFFFAOYSA-N	-1	1	309.290	-2.170	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC(=O)NCCO)n1	ZINC000826356767	608007944	/nfs/dbraw/zinc/00/79/44/608007944.db2.gz	FAJWJGVYUFKNMS-UHFFFAOYSA-N	-1	1	309.290	-2.170	20	0		DAADMM
CCOC(=O)/C=C\Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O	ZINC000825499261	608095507	/nfs/dbraw/zinc/09/55/07/608095507.db2.gz	JGNKZLIECIHSGJ-PLNGDYQASA-N	-1	1	306.282	-1.154	20	0		DAADMM
CN(C(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O)C1CC1	ZINC000825820825	608095593	/nfs/dbraw/zinc/09/55/93/608095593.db2.gz	VNTKDIWWHASQJW-UHFFFAOYSA-N	-1	1	305.298	-1.652	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(=O)n(CCCN2CCOC2=O)c1=O	ZINC000826356290	608096023	/nfs/dbraw/zinc/09/60/23/608096023.db2.gz	KGQRTVFJWNAIEY-UHFFFAOYSA-N	-1	1	321.297	-1.431	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(=O)n(CCOC[C@H]2CCCO2)c1=O	ZINC000826357053	608096582	/nfs/dbraw/zinc/09/65/82/608096582.db2.gz	PIORBCHBNRSPBV-SECBINFHSA-N	-1	1	322.325	-1.077	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(=O)n(CCn2ccccc2=O)c1=O	ZINC000826356976	608096573	/nfs/dbraw/zinc/09/65/73/608096573.db2.gz	MSAKIHUMSVCVJR-UHFFFAOYSA-N	-1	1	315.293	-1.411	20	0		DAADMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@@H](NC(N)=O)C2)n1	ZINC000826357058	608106621	/nfs/dbraw/zinc/10/66/21/608106621.db2.gz	POKOEEITDJAVDM-ZCFIWIBFSA-N	-1	1	320.317	-1.125	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@@H](NC(N)=O)C2)n1	ZINC000826357058	608106622	/nfs/dbraw/zinc/10/66/22/608106622.db2.gz	POKOEEITDJAVDM-ZCFIWIBFSA-N	-1	1	320.317	-1.125	20	0		DAADMM
C[C@H]1OCC[C@H]1Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000825021049	608148285	/nfs/dbraw/zinc/14/82/85/608148285.db2.gz	OJUHOKJLHXGLEP-RNFRBKRXSA-N	-1	1	307.314	-1.147	20	0		DAADMM
O=C(CO)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1	ZINC000826414880	608207115	/nfs/dbraw/zinc/20/71/15/608207115.db2.gz	KTRSRZRRXUZIBJ-UHFFFAOYSA-N	-1	1	317.309	-1.462	20	0		DAADMM
O=C(CO)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1	ZINC000826414880	608207117	/nfs/dbraw/zinc/20/71/17/608207117.db2.gz	KTRSRZRRXUZIBJ-UHFFFAOYSA-N	-1	1	317.309	-1.462	20	0		DAADMM
C[C@@H](O)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1	ZINC000824680055	608233022	/nfs/dbraw/zinc/23/30/22/608233022.db2.gz	YPRXDENOMDYNTB-MRVPVSSYSA-N	-1	1	304.314	-1.314	20	0		DAADMM
C[C@@H](O)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1	ZINC000824680055	608233024	/nfs/dbraw/zinc/23/30/24/608233024.db2.gz	YPRXDENOMDYNTB-MRVPVSSYSA-N	-1	1	304.314	-1.314	20	0		DAADMM
CCC[C@H]1C(=O)NCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000825248338	608250323	/nfs/dbraw/zinc/25/03/23/608250323.db2.gz	RKEDIGCSZQEMQF-QMMMGPOBSA-N	-1	1	319.329	-1.415	20	0		DAADMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2nnnn2C)n1	ZINC000826357300	608267089	/nfs/dbraw/zinc/26/70/89/608267089.db2.gz	ZNAUITQGSPSXGF-UHFFFAOYSA-N	-1	1	318.305	-1.512	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2nnnn2C)n1	ZINC000826357300	608267091	/nfs/dbraw/zinc/26/70/91/608267091.db2.gz	ZNAUITQGSPSXGF-UHFFFAOYSA-N	-1	1	318.305	-1.512	20	0		DAADMM
O[C@H](CNc1ccc(-c2nn[n-]n2)nn1)CN1CCOCC1	ZINC000826502468	608392543	/nfs/dbraw/zinc/39/25/43/608392543.db2.gz	DKVSJHIRAJRSJF-SECBINFHSA-N	-1	1	306.330	-1.238	20	0		DAADMM
COC(=O)CN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1	ZINC000826138312	608395459	/nfs/dbraw/zinc/39/54/59/608395459.db2.gz	PFGSMQQVYWENRQ-UHFFFAOYSA-N	-1	1	304.314	-1.048	20	0		DAADMM
COC(=O)CN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1	ZINC000826138312	608395461	/nfs/dbraw/zinc/39/54/61/608395461.db2.gz	PFGSMQQVYWENRQ-UHFFFAOYSA-N	-1	1	304.314	-1.048	20	0		DAADMM
C[C@@H](O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1	ZINC000824679904	608439964	/nfs/dbraw/zinc/43/99/64/608439964.db2.gz	WKPRCYNMVANIDU-MRVPVSSYSA-N	-1	1	304.314	-1.314	20	0		DAADMM
C[C@@H](O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1	ZINC000824679904	608439965	/nfs/dbraw/zinc/43/99/65/608439965.db2.gz	WKPRCYNMVANIDU-MRVPVSSYSA-N	-1	1	304.314	-1.314	20	0		DAADMM
CC(C)C(=O)NCCN(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000824184046	608489367	/nfs/dbraw/zinc/48/93/67/608489367.db2.gz	CUASHKWNZBXRJP-UHFFFAOYSA-N	-1	1	321.345	-1.311	20	0		DAADMM
NS(=O)(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1	ZINC000826394386	608511444	/nfs/dbraw/zinc/51/14/44/608511444.db2.gz	IDDLBWRTMHEKQU-UHFFFAOYSA-N	-1	1	313.343	-1.219	20	0		DAADMM
NS(=O)(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1	ZINC000826394386	608511445	/nfs/dbraw/zinc/51/14/45/608511445.db2.gz	IDDLBWRTMHEKQU-UHFFFAOYSA-N	-1	1	313.343	-1.219	20	0		DAADMM
C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1nc[nH]n1	ZINC000824650922	608667063	/nfs/dbraw/zinc/66/70/63/608667063.db2.gz	WCIVSPBJGPCRCH-YFKPBYRVSA-N	-1	1	318.301	-1.445	20	0		DAADMM
CN(C[C@H](O)CO)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000825953360	608865672	/nfs/dbraw/zinc/86/56/72/608865672.db2.gz	GWLDUQLPRUVQCE-LURJTMIESA-N	-1	1	311.302	-2.947	20	0		DAADMM
COC[C@H](O)Cn1cc(C(=O)OC)cc(-c2nn[n-]n2)c1=O	ZINC000826164169	609185287	/nfs/dbraw/zinc/18/52/87/609185287.db2.gz	FRHCQSVRTBSSEF-MRVPVSSYSA-N	-1	1	309.282	-1.178	20	0		DAADMM
CN1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1=O	ZINC000826044803	609397555	/nfs/dbraw/zinc/39/75/55/609397555.db2.gz	KWKADKPYYWBJII-UHFFFAOYSA-N	-1	1	309.311	-1.318	20	0		DAADMM
CN1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1=O	ZINC000826044803	609397557	/nfs/dbraw/zinc/39/75/57/609397557.db2.gz	KWKADKPYYWBJII-UHFFFAOYSA-N	-1	1	309.311	-1.318	20	0		DAADMM
CC[C@@](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)(C(N)=O)C(C)C	ZINC000825133028	609433324	/nfs/dbraw/zinc/43/33/24/609433324.db2.gz	HMDKSIOGMIFIQZ-LBPRGKRZSA-N	-1	1	321.345	-1.136	20	0		DAADMM
CS(=O)(=O)N1CCCC[C@H]1C(=O)NN1CC(=O)[N-]C1=O	ZINC000743287284	663795983	/nfs/dbraw/zinc/79/59/83/663795983.db2.gz	LOPDLLAFOSOHMZ-ZETCQYMHSA-N	-1	1	304.328	-1.617	20	0		DAADMM
C[C@H](NC(=O)C1=COCCO1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000969236892	662308995	/nfs/dbraw/zinc/30/89/95/662308995.db2.gz	KAFWNSKJRMOERG-VIFPVBQESA-N	-1	1	323.353	-1.067	20	0		DAADMM
C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000969593899	662323254	/nfs/dbraw/zinc/32/32/54/662323254.db2.gz	JDXDLPWRHYBDFQ-APPZFPTMSA-N	-1	1	324.341	-1.847	20	0		DAADMM
CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000969687882	662324705	/nfs/dbraw/zinc/32/47/05/662324705.db2.gz	UXCMLSNIMNNNGP-RKDXNWHRSA-N	-1	1	308.342	-1.178	20	0		DAADMM
O=C(c1c[nH]c(=O)cn1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000969751069	662328181	/nfs/dbraw/zinc/32/81/81/662328181.db2.gz	PFYLTTAHJRJHQA-SSDOTTSWSA-N	-1	1	305.298	-1.402	20	0		DAADMM
NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)O1	ZINC000969930212	662334701	/nfs/dbraw/zinc/33/47/01/662334701.db2.gz	CKRFPUHZNVNUDD-HRDYMLBCSA-N	-1	1	324.341	-1.766	20	0		DAADMM
C[C@]1(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)CCNC1=O	ZINC000969936400	662334902	/nfs/dbraw/zinc/33/49/02/662334902.db2.gz	ATGKAEMRRVKJHC-OQPBUACISA-N	-1	1	308.342	-1.273	20	0		DAADMM
Cn1cc(CN[C@H]2C[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)nn1	ZINC001020984925	662346108	/nfs/dbraw/zinc/34/61/08/662346108.db2.gz	UUAAVFIWKQTJFT-ZKCHVHJHSA-N	-1	1	322.329	-1.745	20	0		DAADMM
Cc1nn[nH]c1C(=O)N[C@@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000970255797	662354894	/nfs/dbraw/zinc/35/48/94/662354894.db2.gz	ITAFSVHTRALXQZ-ZETCQYMHSA-N	-1	1	320.357	-1.215	20	0		DAADMM
C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000970355535	662359759	/nfs/dbraw/zinc/35/97/59/662359759.db2.gz	ZICMTKGRKATAFU-APPZFPTMSA-N	-1	1	323.357	-2.274	20	0		DAADMM
C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000970432190	662361067	/nfs/dbraw/zinc/36/10/67/662361067.db2.gz	WKTKPTUWPFEAIH-SFGNSQDASA-N	-1	1	322.369	-1.834	20	0		DAADMM
C[C@@H](NC(=O)c1cnon1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000970618205	662366436	/nfs/dbraw/zinc/36/64/36/662366436.db2.gz	HNUUYVRQIDVBBM-SSDOTTSWSA-N	-1	1	307.314	-1.258	20	0		DAADMM
O=C(CN1C(=O)CCC1=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000970676384	662367932	/nfs/dbraw/zinc/36/79/32/662367932.db2.gz	YUPPLBBGLPDFRI-MRVPVSSYSA-N	-1	1	322.325	-1.650	20	0		DAADMM
O=C(C[C@H]1CC(=O)NC1=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000970894451	662374146	/nfs/dbraw/zinc/37/41/46/662374146.db2.gz	SPMBPKVSXIHEDK-HTQZYQBOSA-N	-1	1	322.325	-1.746	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)nc1=O	ZINC001021661073	662377327	/nfs/dbraw/zinc/37/73/27/662377327.db2.gz	JYONCJDRLXDXIF-VHSXEESVSA-N	-1	1	322.369	-1.593	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1	ZINC000971046371	662378229	/nfs/dbraw/zinc/37/82/29/662378229.db2.gz	RBTFMILQFBEUIZ-SECBINFHSA-N	-1	1	321.345	-2.172	20	0		DAADMM
Cn1[n-]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)nc1=O	ZINC001021900184	662382282	/nfs/dbraw/zinc/38/22/82/662382282.db2.gz	XTDKTSGGEXTIKE-HRDYMLBCSA-N	-1	1	308.342	-1.876	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@H]2CN(C)CCO2)nc1=O	ZINC001038137516	662383160	/nfs/dbraw/zinc/38/31/60/662383160.db2.gz	PEMAOPUYHPVMGW-WDEREUQCSA-N	-1	1	324.385	-1.871	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1	ZINC000971453005	662383630	/nfs/dbraw/zinc/38/36/30/662383630.db2.gz	XBMAZBINRARHQA-BDAKNGLRSA-N	-1	1	324.341	-1.751	20	0		DAADMM
Cn1[n-]c(C[NH2+][C@@H]2C[C@H](NC(=O)[C@@H]3COCCN3C)C2)nc1=O	ZINC001021989474	662384059	/nfs/dbraw/zinc/38/40/59/662384059.db2.gz	ACDQMCWUGJTFAD-AXFHLTTASA-N	-1	1	324.385	-1.824	20	0		DAADMM
O=C(c1ncccc1[O-])N1CCN(C(=O)[C@H]2CNC(=O)N2)CC1	ZINC001011036033	662385610	/nfs/dbraw/zinc/38/56/10/662385610.db2.gz	WWTIAADYNXCFQF-SECBINFHSA-N	-1	1	319.321	-1.247	20	0		DAADMM
O=C(c1ncccc1[O-])N1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1	ZINC001011036035	662385829	/nfs/dbraw/zinc/38/58/29/662385829.db2.gz	WWTIAADYNXCFQF-VIFPVBQESA-N	-1	1	319.321	-1.247	20	0		DAADMM
Cn1cnc(C(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)n1	ZINC001038220422	662389049	/nfs/dbraw/zinc/38/90/49/662389049.db2.gz	MKGJUZKGLJYFPY-MRVPVSSYSA-N	-1	1	306.330	-1.759	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1	ZINC000972080738	662399810	/nfs/dbraw/zinc/39/98/10/662399810.db2.gz	VZEZQEIHBLCPSU-VHSXEESVSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1	ZINC000972208303	662403135	/nfs/dbraw/zinc/40/31/35/662403135.db2.gz	YHRDBDQZQXMXPO-RKDXNWHRSA-N	-1	1	323.357	-2.178	20	0		DAADMM
CN1C[C@@H](C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)NC1=O	ZINC000949660204	662407658	/nfs/dbraw/zinc/40/76/58/662407658.db2.gz	XATTYUVCXAHKOJ-VIFPVBQESA-N	-1	1	323.357	-2.224	20	0		DAADMM
CCC(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1O	ZINC001022844437	662410069	/nfs/dbraw/zinc/41/00/69/662410069.db2.gz	DABPXTMGZRIFIP-RKDXNWHRSA-N	-1	1	320.309	-1.871	20	0		DAADMM
CC(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1O	ZINC001022851535	662410248	/nfs/dbraw/zinc/41/02/48/662410248.db2.gz	CGXCISRWJRPZEO-NXEZZACHSA-N	-1	1	310.310	-2.366	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(C)=O)C1	ZINC001022851539	662410488	/nfs/dbraw/zinc/41/04/88/662410488.db2.gz	CJKIIYKXAFKJNW-RNFRBKRXSA-N	-1	1	312.282	-1.782	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)c2cc[n+]([O-])cc2)nc1=O	ZINC001038042770	662418042	/nfs/dbraw/zinc/41/80/42/662418042.db2.gz	KBPRPOOFCADLLS-NSHDSACASA-N	-1	1	318.337	-1.254	20	0		DAADMM
Cn1nnc(C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)n1	ZINC000949721731	662431403	/nfs/dbraw/zinc/43/14/03/662431403.db2.gz	POBVDXIWXKCGBN-UHFFFAOYSA-N	-1	1	307.318	-2.410	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@]3(CCN(C(=O)C(N)=O)C3)C2)nc1=O	ZINC000972527076	662440368	/nfs/dbraw/zinc/44/03/68/662440368.db2.gz	QNDNXWMKQROZQE-CYBMUJFWSA-N	-1	1	324.341	-2.603	20	0		DAADMM
CN(CC(N)=O)[C@@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC000972554481	662446665	/nfs/dbraw/zinc/44/66/65/662446665.db2.gz	IBRYAHPLGDBHCG-SNVBAGLBSA-N	-1	1	323.353	-2.055	20	0		DAADMM
NC(=O)CN1CCC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001023468406	662449167	/nfs/dbraw/zinc/44/91/67/662449167.db2.gz	SPQXPOKCRJQQNH-SSDOTTSWSA-N	-1	1	310.314	-1.790	20	0		DAADMM
O=C(N[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O)c1ncccc1[O-]	ZINC001023490713	662450251	/nfs/dbraw/zinc/45/02/51/662450251.db2.gz	NODZQUOGOXCGAN-PSASIEDQSA-N	-1	1	319.277	-1.215	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)c2cnon2)C1	ZINC000972581051	662450629	/nfs/dbraw/zinc/45/06/29/662450629.db2.gz	IPCXXNWESVFKTA-QMMMGPOBSA-N	-1	1	307.314	-1.162	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1	ZINC000972764428	662466520	/nfs/dbraw/zinc/46/65/20/662466520.db2.gz	VRBCTMJVIATLGB-UWVGGRQHSA-N	-1	1	322.369	-1.580	20	0		DAADMM
O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)c1cn[nH]n1	ZINC001024544953	662476547	/nfs/dbraw/zinc/47/65/47/662476547.db2.gz	LFSCOMPBZYLTDX-PSASIEDQSA-N	-1	1	318.293	-1.479	20	0		DAADMM
CN1C[C@@H](C(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)CC1=O	ZINC001038312900	662482879	/nfs/dbraw/zinc/48/28/79/662482879.db2.gz	UHICNHDWBKSBLH-VHSXEESVSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001024766238	662483843	/nfs/dbraw/zinc/48/38/43/662483843.db2.gz	KDVYTGIQKMMTLZ-RKDXNWHRSA-N	-1	1	320.309	-1.871	20	0		DAADMM
CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000936109108	662492040	/nfs/dbraw/zinc/49/20/40/662492040.db2.gz	GXUVVVBNSOFXOE-QWRGUYRKSA-N	-1	1	306.322	-1.242	20	0		DAADMM
O=C([C@@H]1CNC(=O)N1)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001025060797	662493441	/nfs/dbraw/zinc/49/34/41/662493441.db2.gz	NRJMXLRLFVXGTC-BDAKNGLRSA-N	-1	1	323.357	-1.338	20	0		DAADMM
O=C(Cn1ncnn1)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1	ZINC000973197335	662505544	/nfs/dbraw/zinc/50/55/44/662505544.db2.gz	DRILYWFVIHUGHR-KYZUINATSA-N	-1	1	317.309	-1.149	20	0		DAADMM
O=S(=O)(c1n[n-]c(C2CC2)n1)[C@H]1CS(=O)(=O)C[C@H]1O	ZINC000783706552	662520640	/nfs/dbraw/zinc/52/06/40/662520640.db2.gz	QWEWBXGRPJESAY-RQJHMYQMSA-N	-1	1	307.353	-1.386	20	0		DAADMM
O=C(N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ncn[nH]1	ZINC000973476784	662518064	/nfs/dbraw/zinc/51/80/64/662518064.db2.gz	YOEDCYKWTFRQIO-URHBZAFASA-N	-1	1	320.269	-1.908	20	0		DAADMM
O=C(N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1nc[nH]n1	ZINC000973476784	662518066	/nfs/dbraw/zinc/51/80/66/662518066.db2.gz	YOEDCYKWTFRQIO-URHBZAFASA-N	-1	1	320.269	-1.908	20	0		DAADMM
CCC1(CC)NC(=O)N(CC(=O)NN2CC(=O)[N-]C2=O)C1=O	ZINC000053286068	662558120	/nfs/dbraw/zinc/55/81/20/662558120.db2.gz	OITVYUIELBMILN-UHFFFAOYSA-N	-1	1	311.298	-1.320	20	0		DAADMM
CS(=O)(=O)CC(=O)N1CC[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001026716603	662561896	/nfs/dbraw/zinc/56/18/96/662561896.db2.gz	VUXCKAZRDUHLIK-MRVPVSSYSA-N	-1	1	317.371	-1.507	20	0		DAADMM
CC(C)OC(=O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000312723564	662561940	/nfs/dbraw/zinc/56/19/40/662561940.db2.gz	OYRBUAQJYVYTHV-UHFFFAOYSA-N	-1	1	319.339	-1.686	20	0		DAADMM
NC(=O)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccc1[O-]	ZINC000976405302	662583643	/nfs/dbraw/zinc/58/36/43/662583643.db2.gz	ULBPCDXETCALRO-JDICNCQASA-N	-1	1	304.306	-1.151	20	0		DAADMM
CCN(C(=O)[C@@H]1COC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000950002789	662603650	/nfs/dbraw/zinc/60/36/50/662603650.db2.gz	ZVYWFKIMVADGLC-VIFPVBQESA-N	-1	1	324.341	-1.751	20	0		DAADMM
C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)c2nc[nH]n2)CCO1	ZINC000979392675	662624166	/nfs/dbraw/zinc/62/41/66/662624166.db2.gz	FPVCQVJZHRRQFD-JGVFFNPUSA-N	-1	1	322.329	-1.352	20	0		DAADMM
C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)c2cnon2)CCO1	ZINC000979419800	662624192	/nfs/dbraw/zinc/62/41/92/662624192.db2.gz	WLTCBENKZWSVAC-IONNQARKSA-N	-1	1	323.313	-1.087	20	0		DAADMM
CN([C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1)[C@H]1CCNC1=O	ZINC000980262052	662634704	/nfs/dbraw/zinc/63/47/04/662634704.db2.gz	CRDAIEUBBISHMX-IUCAKERBSA-N	-1	1	324.341	-1.890	20	0		DAADMM
Cn1[n-]c(CN2CCCN(C(=O)[C@H]3COC(=O)N3)CC2)nc1=O	ZINC000981073684	662641335	/nfs/dbraw/zinc/64/13/35/662641335.db2.gz	JSDNVRXMODXLSB-SECBINFHSA-N	-1	1	324.341	-1.749	20	0		DAADMM
Cc1nn[nH]c1C(=O)NC[C@@H]1CCCN1Cc1nc(=O)n(C)[n-]1	ZINC001028064514	662642685	/nfs/dbraw/zinc/64/26/85/662642685.db2.gz	KRWYMBLIQVJXDD-VIFPVBQESA-N	-1	1	320.357	-1.071	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)[C@H]2CCNC2=O)nc1=O	ZINC001028071846	662643147	/nfs/dbraw/zinc/64/31/47/662643147.db2.gz	GKCJONGDPRJHRV-ZJUUUORDSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1nnc(C(=O)NC[C@H]2CCCN2Cc2nc(=O)n(C)[n-]2)n1	ZINC001028078211	662644136	/nfs/dbraw/zinc/64/41/36/662644136.db2.gz	FRTYMLNJMKNIQK-MRVPVSSYSA-N	-1	1	321.345	-1.974	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3cnns3)C2)nc1=O	ZINC001010319336	662644653	/nfs/dbraw/zinc/64/46/53/662644653.db2.gz	QSRGNVVRWHILDL-SSDOTTSWSA-N	-1	1	309.355	-1.036	20	0		DAADMM
Cn1[n-]c(CN2CCCN(C(=O)[C@H]3CCNC3=O)CC2)nc1=O	ZINC000981746797	662647177	/nfs/dbraw/zinc/64/71/77/662647177.db2.gz	NNSDLBPJBWEOKP-JTQLQIEISA-N	-1	1	322.369	-1.721	20	0		DAADMM
Cn1[n-]c(CN2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)nc1=O	ZINC000981850747	662648712	/nfs/dbraw/zinc/64/87/12/662648712.db2.gz	RYZCYFZZJITROO-SECBINFHSA-N	-1	1	323.357	-2.176	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)nc1=O	ZINC001028139680	662648721	/nfs/dbraw/zinc/64/87/21/662648721.db2.gz	BPAUAZBMELKNEC-AEJSXWLSSA-N	-1	1	322.369	-1.690	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@H]2CCNC(=O)C2)nc1=O	ZINC001038162836	662654803	/nfs/dbraw/zinc/65/48/03/662654803.db2.gz	YXIPVZIRAWZADD-VHSXEESVSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](CNC(=O)[C@H]3CCC(=O)N3)C2)nc1=O	ZINC001028449304	662672063	/nfs/dbraw/zinc/67/20/63/662672063.db2.gz	ZYPJWGVOCAVIMI-VHSXEESVSA-N	-1	1	322.369	-1.675	20	0		DAADMM
C[C@@H](C(=O)NN1CC(=O)[N-]C1=O)N1C(=O)NC2(CCCC2)C1=O	ZINC000726619539	662680156	/nfs/dbraw/zinc/68/01/56/662680156.db2.gz	NCJWFKIZXIWSNX-ZETCQYMHSA-N	-1	1	323.309	-1.178	20	0		DAADMM
CN(C)C(=O)CN1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001028661378	662683569	/nfs/dbraw/zinc/68/35/69/662683569.db2.gz	JVVNPBJJUFRLSL-QMMMGPOBSA-N	-1	1	324.341	-1.577	20	0		DAADMM
C[C@@H](C(N)=O)N1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001028661777	662683577	/nfs/dbraw/zinc/68/35/77/662683577.db2.gz	PBZNHBRYAXKWLD-BQBZGAKWSA-N	-1	1	310.314	-1.792	20	0		DAADMM
O=C(NC[C@H]1CCN([C@@H]2CCNC2=O)C1)c1n[nH]c(=O)[n-]c1=O	ZINC001028661175	662683678	/nfs/dbraw/zinc/68/36/78/662683678.db2.gz	GOIWOWJQMBBFPL-HTQZYQBOSA-N	-1	1	322.325	-1.777	20	0		DAADMM
CN(C)C(=O)CN1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001028661376	662683709	/nfs/dbraw/zinc/68/37/09/662683709.db2.gz	JVVNPBJJUFRLSL-MRVPVSSYSA-N	-1	1	324.341	-1.577	20	0		DAADMM
CNC(=O)[C@H](C)N1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001028662508	662683818	/nfs/dbraw/zinc/68/38/18/662683818.db2.gz	YLINMSVXHAYDSP-JGVFFNPUSA-N	-1	1	324.341	-1.531	20	0		DAADMM
Cn1ncc(C(=O)NC[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001028865280	662693237	/nfs/dbraw/zinc/69/32/37/662693237.db2.gz	OQVFHTGOCFXPDS-VIFPVBQESA-N	-1	1	320.357	-1.511	20	0		DAADMM
O=C(N[C@H]1C[C@H](CNCc2cnon2)C1)c1n[nH]c(=O)[n-]c1=O	ZINC000984214582	662702894	/nfs/dbraw/zinc/70/28/94/662702894.db2.gz	NMLAABZDHBUCGK-LJGSYFOKSA-N	-1	1	321.297	-1.036	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C1CCN(C(=O)Cn2cnnn2)CC1	ZINC000985253834	662710005	/nfs/dbraw/zinc/71/00/05/662710005.db2.gz	IBSVEZWEYXHVME-UHFFFAOYSA-N	-1	1	321.345	-1.380	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H](CCO)C2CC2)c(=O)n(C)c1=O	ZINC000751443322	662710275	/nfs/dbraw/zinc/71/02/75/662710275.db2.gz	QENAXBDKEIMVTB-VIFPVBQESA-N	-1	1	317.367	-1.477	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C1CCN(C(=O)Cn2ncnn2)CC1	ZINC000985436260	662710919	/nfs/dbraw/zinc/71/09/19/662710919.db2.gz	NUKVQISFCNUXEX-UHFFFAOYSA-N	-1	1	321.345	-1.380	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)c2nnn(C)n2)C1	ZINC001029805502	662711987	/nfs/dbraw/zinc/71/19/87/662711987.db2.gz	ACFIHPFWBPATCE-MRVPVSSYSA-N	-1	1	321.345	-1.372	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1	ZINC001029802978	662712252	/nfs/dbraw/zinc/71/22/52/662712252.db2.gz	IADVHLNETNNABZ-NXEZZACHSA-N	-1	1	322.369	-1.073	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1	ZINC001029822039	662712803	/nfs/dbraw/zinc/71/28/03/662712803.db2.gz	XRHSXWZLGKTMCS-RKDXNWHRSA-N	-1	1	323.357	-1.528	20	0		DAADMM
C[C@@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)Cn1cnnn1	ZINC000985938731	662714594	/nfs/dbraw/zinc/71/45/94/662714594.db2.gz	AYDAJGUIMSSBGP-SFYZADRCSA-N	-1	1	307.318	-1.724	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)Cn1cnnn1	ZINC000985938733	662714671	/nfs/dbraw/zinc/71/46/71/662714671.db2.gz	AYDAJGUIMSSBGP-YUMQZZPRSA-N	-1	1	307.318	-1.724	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CN1CN=NC1=O	ZINC000986181322	662715842	/nfs/dbraw/zinc/71/58/42/662715842.db2.gz	GCUXZUPOFXKOEW-YUMQZZPRSA-N	-1	1	322.329	-1.413	20	0		DAADMM
C[C@@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)Cn1nccn1	ZINC000986312537	662716830	/nfs/dbraw/zinc/71/68/30/662716830.db2.gz	UPLVOTLMHCCVBX-BDAKNGLRSA-N	-1	1	306.330	-1.119	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)Cn1nccn1	ZINC000986312545	662716861	/nfs/dbraw/zinc/71/68/61/662716861.db2.gz	UPLVOTLMHCCVBX-IUCAKERBSA-N	-1	1	306.330	-1.119	20	0		DAADMM
C[C@@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)c1nnn(C)n1	ZINC000986666519	662718984	/nfs/dbraw/zinc/71/89/84/662718984.db2.gz	WZBFLLDSXPMEFW-RNFRBKRXSA-N	-1	1	307.318	-1.573	20	0		DAADMM
C[C@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CCn1cnnn1	ZINC000987250295	662721608	/nfs/dbraw/zinc/72/16/08/662721608.db2.gz	TYKWUAGQNQJKAK-DTWKUNHWSA-N	-1	1	321.345	-1.334	20	0		DAADMM
C[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CS(C)(=O)=O	ZINC000988277887	662725369	/nfs/dbraw/zinc/72/53/69/662725369.db2.gz	HJNDAFSZJSWPAH-YUMQZZPRSA-N	-1	1	317.371	-1.366	20	0		DAADMM
C[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CN1CCOCC1	ZINC000988648850	662729355	/nfs/dbraw/zinc/72/93/55/662729355.db2.gz	AEONCIOQJNVZOR-GHMZBOCLSA-N	-1	1	324.385	-1.079	20	0		DAADMM
O=C(N[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1)c1ncccc1[O-]	ZINC000937863003	662732679	/nfs/dbraw/zinc/73/26/79/662732679.db2.gz	AIVCOPXBUKFTCK-IUCAKERBSA-N	-1	1	319.321	-1.201	20	0		DAADMM
C[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)Cn1nccn1	ZINC000988897234	662740603	/nfs/dbraw/zinc/74/06/03/662740603.db2.gz	FPQOOEPZIZVDHI-BDAKNGLRSA-N	-1	1	306.330	-1.119	20	0		DAADMM
C[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)c1c[nH]c(=O)cn1	ZINC000989373055	662743809	/nfs/dbraw/zinc/74/38/09/662743809.db2.gz	BDKPRKZYFVVSEQ-YUMQZZPRSA-N	-1	1	319.325	-1.014	20	0		DAADMM
C[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)Cn1cncn1	ZINC000989761874	662750833	/nfs/dbraw/zinc/75/08/33/662750833.db2.gz	AYERCWCHLOKTKR-IUCAKERBSA-N	-1	1	306.330	-1.119	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)Cn3ncnn3)C2)nc1=O	ZINC001014431642	662751075	/nfs/dbraw/zinc/75/10/75/662751075.db2.gz	UMWSKSUKAZIJCJ-MRVPVSSYSA-N	-1	1	307.318	-2.514	20	0		DAADMM
CN1C[C@H](C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)CC1=O	ZINC001014618659	662769705	/nfs/dbraw/zinc/76/97/05/662769705.db2.gz	RYPHADFBOBFAHC-NXEZZACHSA-N	-1	1	322.369	-1.723	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)c2nccnc2N)nc1=O	ZINC001038120265	662772025	/nfs/dbraw/zinc/77/20/25/662772025.db2.gz	BBRBITKVERQSRO-QMMMGPOBSA-N	-1	1	318.341	-1.515	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)c2nccnc2N)nc1=O	ZINC001038120264	662772257	/nfs/dbraw/zinc/77/22/57/662772257.db2.gz	BBRBITKVERQSRO-MRVPVSSYSA-N	-1	1	318.341	-1.515	20	0		DAADMM
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2ncccc2[O-])C1	ZINC000990978408	662788112	/nfs/dbraw/zinc/78/81/12/662788112.db2.gz	OJTHLEKDYLXAEV-BDAKNGLRSA-N	-1	1	304.306	-1.151	20	0		DAADMM
O=C(Cn1ncnn1)N1CC(NC(=O)c2ncccc2[O-])C1	ZINC000990970971	662788147	/nfs/dbraw/zinc/78/81/47/662788147.db2.gz	DFIKAKQEQIPMRD-UHFFFAOYSA-N	-1	1	303.282	-1.586	20	0		DAADMM
O=C([O-])[C@H]1CS(=O)(=O)CCN1C[C@@H](O)CN1CCCC1	ZINC000903702485	662789993	/nfs/dbraw/zinc/78/99/93/662789993.db2.gz	WEQLWMAIKOHZPB-WDEREUQCSA-N	-1	1	306.384	-1.373	20	0		DAADMM
CC(=O)N[C@@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@@H]1O	ZINC000991156527	662803459	/nfs/dbraw/zinc/80/34/59/662803459.db2.gz	OQVRTWQEGWHDNQ-SCZZXKLOSA-N	-1	1	320.309	-1.871	20	0		DAADMM
CC(=O)N[C@@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1O	ZINC000991160288	662803848	/nfs/dbraw/zinc/80/38/48/662803848.db2.gz	ZBSCKOINTHIJNR-GHMZBOCLSA-N	-1	1	324.337	-1.975	20	0		DAADMM
O=C(C1CN([C@@H]2CCOC2)C1)N1CCOC[C@@H]1c1nnn[n-]1	ZINC000913499043	663158074	/nfs/dbraw/zinc/15/80/74/663158074.db2.gz	LFSBOKRKKCIHQB-GHMZBOCLSA-N	-1	1	308.342	-1.180	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@H]2COCCO2)nc1=O	ZINC001038056889	663159127	/nfs/dbraw/zinc/15/91/27/663159127.db2.gz	DWVNMPKXKHIXGU-VHSXEESVSA-N	-1	1	311.342	-1.786	20	0		DAADMM
Cc1ncncc1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001030120213	663165461	/nfs/dbraw/zinc/16/54/61/663165461.db2.gz	ASHXQEXNFXVSNE-UHFFFAOYSA-N	-1	1	303.326	-1.179	20	0		DAADMM
Cc1cnn(CC(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC001030138883	663165953	/nfs/dbraw/zinc/16/59/53/663165953.db2.gz	KIRZMLJLUZJONH-UHFFFAOYSA-N	-1	1	305.342	-1.386	20	0		DAADMM
COC(=O)[C@@H]1C[C@@H]1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001030154136	663167015	/nfs/dbraw/zinc/16/70/15/663167015.db2.gz	FYGLAZIYQYAKHD-DTWKUNHWSA-N	-1	1	309.326	-1.782	20	0		DAADMM
O=C(CN1C(=O)COc2ccccc21)NN1CC(=O)[N-]C1=O	ZINC000057813572	663167680	/nfs/dbraw/zinc/16/76/80/663167680.db2.gz	QEMZSEUILWIUJL-UHFFFAOYSA-N	-1	1	304.262	-1.005	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3cc[nH]c(=O)c3)C2)nc1=O	ZINC001030201507	663170396	/nfs/dbraw/zinc/17/03/96/663170396.db2.gz	RXGZZMBJNVJUDN-UHFFFAOYSA-N	-1	1	304.310	-1.177	20	0		DAADMM
COc1cc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)on1	ZINC001030239027	663172557	/nfs/dbraw/zinc/17/25/57/663172557.db2.gz	QMGPLOCPIWKLOX-UHFFFAOYSA-N	-1	1	308.298	-1.281	20	0		DAADMM
Cn1ccc(CC(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001030296694	663176169	/nfs/dbraw/zinc/17/61/69/663176169.db2.gz	XANPIDPXXATYLE-UHFFFAOYSA-N	-1	1	305.342	-1.615	20	0		DAADMM
CCN1C[C@H](C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)CC1=O	ZINC001030399864	663185467	/nfs/dbraw/zinc/18/54/67/663185467.db2.gz	XGVCHBDZSATTMH-SECBINFHSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CCN1C[C@@H](C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)CC1=O	ZINC001030399865	663185714	/nfs/dbraw/zinc/18/57/14/663185714.db2.gz	XGVCHBDZSATTMH-VIFPVBQESA-N	-1	1	322.369	-1.723	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)C3(F)CCOCC3)C2)nc1=O	ZINC001030413031	663190780	/nfs/dbraw/zinc/19/07/80/663190780.db2.gz	DVGXYEZTGZRKNV-UHFFFAOYSA-N	-1	1	313.333	-1.073	20	0		DAADMM
O=C(CN1CCCC1)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000991751774	663193244	/nfs/dbraw/zinc/19/32/44/663193244.db2.gz	KFDWCHNHGSVMSQ-UHFFFAOYSA-N	-1	1	322.325	-1.681	20	0		DAADMM
Cc1nn(C)cc1CC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001030454602	663195975	/nfs/dbraw/zinc/19/59/75/663195975.db2.gz	KAGLZDIIKSSOCK-UHFFFAOYSA-N	-1	1	319.369	-1.307	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@H]3CCCNC3=O)C2)nc1=O	ZINC001030477417	663197083	/nfs/dbraw/zinc/19/70/83/663197083.db2.gz	FBPFASRDVOGKNL-VIFPVBQESA-N	-1	1	308.342	-2.065	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@H]3CCCC(=O)N3)C2)nc1=O	ZINC001030492550	663197501	/nfs/dbraw/zinc/19/75/01/663197501.db2.gz	XPUXZBZOTACXFP-SECBINFHSA-N	-1	1	308.342	-1.923	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3cn[nH]c(=O)c3)C2)nc1=O	ZINC001030486219	663197558	/nfs/dbraw/zinc/19/75/58/663197558.db2.gz	LLFYOJLFCQRWIG-UHFFFAOYSA-N	-1	1	305.298	-1.782	20	0		DAADMM
CCOc1cc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)[nH]n1	ZINC001030502093	663198642	/nfs/dbraw/zinc/19/86/42/663198642.db2.gz	NDLZIMPJCQJYTH-UHFFFAOYSA-N	-1	1	321.341	-1.156	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CN3CCCCC3=O)C2)nc1=O	ZINC001030601702	663204917	/nfs/dbraw/zinc/20/49/17/663204917.db2.gz	XCWSYLDSUAEJGN-UHFFFAOYSA-N	-1	1	322.369	-1.579	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CN3CCCNC3=O)C2)nc1=O	ZINC001030605433	663206420	/nfs/dbraw/zinc/20/64/20/663206420.db2.gz	SGAYNJVYKUXPFJ-UHFFFAOYSA-N	-1	1	323.357	-2.176	20	0		DAADMM
Cc1nc([C@@H](C)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n[nH]1	ZINC001030616644	663207171	/nfs/dbraw/zinc/20/71/71/663207171.db2.gz	CWAXGGYONFHDLV-RXMQYKEDSA-N	-1	1	320.313	-1.115	20	0		DAADMM
COc1cnc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)nc1	ZINC001030654998	663209926	/nfs/dbraw/zinc/20/99/26/663209926.db2.gz	WZZARHIVMYQOEU-UHFFFAOYSA-N	-1	1	319.325	-1.479	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)C[C@H]3CCC(=O)N3C)C2)nc1=O	ZINC001030780680	663221062	/nfs/dbraw/zinc/22/10/62/663221062.db2.gz	ZVXIXKLTGATUQZ-SNVBAGLBSA-N	-1	1	322.369	-1.580	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)nc1=O	ZINC001030788889	663223118	/nfs/dbraw/zinc/22/31/18/663223118.db2.gz	ALYHLAQYJKRPDR-IUCAKERBSA-N	-1	1	308.342	-2.080	20	0		DAADMM
Cn1[n-]c(CN2CC[C@]3(NC(=O)C(N)=O)CCC[C@@H]23)nc1=O	ZINC000992152958	663223958	/nfs/dbraw/zinc/22/39/58/663223958.db2.gz	FORZDBRITWOCMD-AMIZOPFISA-N	-1	1	308.342	-1.793	20	0		DAADMM
CN1CC[C@@H](C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)C1=O	ZINC001030814753	663225875	/nfs/dbraw/zinc/22/58/75/663225875.db2.gz	UWPYKYFNUABLLK-VIFPVBQESA-N	-1	1	308.342	-2.113	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@H]3CCCCC(=O)N3)C2)nc1=O	ZINC001030937825	663236445	/nfs/dbraw/zinc/23/64/45/663236445.db2.gz	VCXMSVVMIOROKE-SNVBAGLBSA-N	-1	1	322.369	-1.532	20	0		DAADMM
CN1CCO[C@@H](C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)C1=O	ZINC000913781104	663236459	/nfs/dbraw/zinc/23/64/59/663236459.db2.gz	BHUYSWHNMPVOBM-MRVPVSSYSA-N	-1	1	323.271	-1.020	20	0		DAADMM
Cc1ccn(CC(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001030972882	663240034	/nfs/dbraw/zinc/24/00/34/663240034.db2.gz	VVRWJICOHDWREZ-UHFFFAOYSA-N	-1	1	305.342	-1.386	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nc1=O	ZINC001030986219	663241514	/nfs/dbraw/zinc/24/15/14/663241514.db2.gz	GYLOPHUJBSQOPD-MXWKQRLJSA-N	-1	1	307.354	-1.024	20	0		DAADMM
COc1cncc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001031054918	663245899	/nfs/dbraw/zinc/24/58/99/663245899.db2.gz	WVZOJPVECWLUDE-UHFFFAOYSA-N	-1	1	319.325	-1.479	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)C[C@H]3CCC(=O)N3)C2)nc1=O	ZINC001031093828	663246928	/nfs/dbraw/zinc/24/69/28/663246928.db2.gz	LUCHKSGUNIGHDM-MRVPVSSYSA-N	-1	1	308.342	-1.923	20	0		DAADMM
CCn1cc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001031163456	663253020	/nfs/dbraw/zinc/25/30/20/663253020.db2.gz	LEBIHOIQZKZAIB-UHFFFAOYSA-N	-1	1	306.330	-1.666	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@@H]3C[C@@]34CCOC4)C2)nc1=O	ZINC001031221110	663257212	/nfs/dbraw/zinc/25/72/12/663257212.db2.gz	AYDVCGFMAHXGFQ-IINYFYTJSA-N	-1	1	307.354	-1.165	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@@H]3C[C@]34CCOC4)C2)nc1=O	ZINC001031221107	663257336	/nfs/dbraw/zinc/25/73/36/663257336.db2.gz	AYDVCGFMAHXGFQ-HZMBPMFUSA-N	-1	1	307.354	-1.165	20	0		DAADMM
O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1nn[n-]n1	ZINC000732158876	663257406	/nfs/dbraw/zinc/25/74/06/663257406.db2.gz	NXBJGQRZAAZSEG-UHFFFAOYSA-N	-1	1	322.306	-1.339	20	0		DAADMM
CCn1cc(CC(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC001031238795	663259524	/nfs/dbraw/zinc/25/95/24/663259524.db2.gz	PRTAESYQZQRCJF-UHFFFAOYSA-N	-1	1	319.369	-1.132	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1CN([C@@H]2CCNC2=O)C1	ZINC001031249581	663260909	/nfs/dbraw/zinc/26/09/09/663260909.db2.gz	CCANXGBCSJFAFV-SSDOTTSWSA-N	-1	1	323.309	-1.801	20	0		DAADMM
O=C(NC1CN([C@H]2CCNC2=O)C1)c1cc(=O)n2[n-]cnc2n1	ZINC001031249888	663260945	/nfs/dbraw/zinc/26/09/45/663260945.db2.gz	KVYOGPKFXHVLAO-VIFPVBQESA-N	-1	1	317.309	-2.280	20	0		DAADMM
CC[C@@H](C(N)=O)N1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001031252347	663262086	/nfs/dbraw/zinc/26/20/86/663262086.db2.gz	DZFAXJMBMIWMPE-VIFPVBQESA-N	-1	1	319.325	-1.905	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C[C@H]2C[C@]23CCOC3)C1	ZINC001031314757	663279915	/nfs/dbraw/zinc/27/99/15/663279915.db2.gz	IUHMSSWJNJHWLW-OTYXRUKQSA-N	-1	1	323.353	-1.084	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C[C@@H]2CCCOC2)C1	ZINC001031315069	663280011	/nfs/dbraw/zinc/28/00/11/663280011.db2.gz	SOJGGGBEEOFXRE-VIFPVBQESA-N	-1	1	311.342	-1.084	20	0		DAADMM
O=C(CCCS(=O)(=O)N1CCCC1)NN1CC(=O)[N-]C1=O	ZINC000917391465	663289496	/nfs/dbraw/zinc/28/94/96/663289496.db2.gz	YLQSVZZFXRSTAK-UHFFFAOYSA-N	-1	1	318.355	-1.225	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3c[nH]c(C(N)=O)c3)C2)nc1=O	ZINC001031394396	663289712	/nfs/dbraw/zinc/28/97/12/663289712.db2.gz	FPYSDPRWPJTQGL-UHFFFAOYSA-N	-1	1	319.325	-1.850	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@H]3COCCO3)C2)nc1=O	ZINC001031554716	663298979	/nfs/dbraw/zinc/29/89/79/663298979.db2.gz	HMUMEBOFGOKVJQ-SNVBAGLBSA-N	-1	1	311.342	-1.928	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@@H]3CN(C)CCO3)C2)nc1=O	ZINC001031595489	663301673	/nfs/dbraw/zinc/30/16/73/663301673.db2.gz	XUCVMUAGVADVPQ-NSHDSACASA-N	-1	1	324.385	-2.013	20	0		DAADMM
Cn1cnc(C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC001031613623	663302747	/nfs/dbraw/zinc/30/27/47/663302747.db2.gz	RQQDRBJLKXMFBF-UHFFFAOYSA-N	-1	1	305.342	-1.296	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@H]3COC(=O)N3)C2)nc1=O	ZINC001031646694	663304951	/nfs/dbraw/zinc/30/49/51/663304951.db2.gz	FHAZGZVOXHPWOV-MRVPVSSYSA-N	-1	1	310.314	-2.235	20	0		DAADMM
C[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000921494287	663309977	/nfs/dbraw/zinc/30/99/77/663309977.db2.gz	FHVODXHJFXZSBP-HTQZYQBOSA-N	-1	1	303.340	-1.603	20	0		DAADMM
CN1C[C@H](C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)CC1=O	ZINC001031710232	663310876	/nfs/dbraw/zinc/31/08/76/663310876.db2.gz	YBDRFQVAMGYEPR-SNVBAGLBSA-N	-1	1	322.369	-1.865	20	0		DAADMM
O=C(N[C@H]1CCN(C(=O)c2ccn[nH]2)C1)c1n[nH]c(=O)[n-]c1=O	ZINC000938349808	663314317	/nfs/dbraw/zinc/31/43/17/663314317.db2.gz	LESMHOUVWWDTKY-LURJTMIESA-N	-1	1	319.281	-1.350	20	0		DAADMM
O=C(N[C@H]1CCN(C(=O)c2ncccc2[O-])C1)[C@H]1CNC(=O)N1	ZINC000938570972	663325998	/nfs/dbraw/zinc/32/59/98/663325998.db2.gz	XNNSKISVBCPLDZ-DTWKUNHWSA-N	-1	1	319.321	-1.201	20	0		DAADMM
NC(=O)C(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000938580766	663327128	/nfs/dbraw/zinc/32/71/28/663327128.db2.gz	OKHZKUVXTQPUMG-LURJTMIESA-N	-1	1	319.281	-2.766	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@H]3CCCC(=O)N3)C2)nc1=O	ZINC001031755329	663338364	/nfs/dbraw/zinc/33/83/64/663338364.db2.gz	GWWUNVDPXJSOSZ-SNVBAGLBSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)c3cnc[nH]c3=O)C2)nc1=O	ZINC001031758737	663339115	/nfs/dbraw/zinc/33/91/15/663339115.db2.gz	OTIPWAQVFWCWHT-UHFFFAOYSA-N	-1	1	319.325	-1.534	20	0		DAADMM
C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC000939039823	663341133	/nfs/dbraw/zinc/34/11/33/663341133.db2.gz	OMZOGTWBKSJKCZ-HTQZYQBOSA-N	-1	1	308.342	-1.288	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@H]3CCC(=O)NC3)C2)nc1=O	ZINC001031803630	663345595	/nfs/dbraw/zinc/34/55/95/663345595.db2.gz	HZBUUZRHQBFPLS-JTQLQIEISA-N	-1	1	322.369	-1.817	20	0		DAADMM
Cn1cncc1C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031818921	663355492	/nfs/dbraw/zinc/35/54/92/663355492.db2.gz	GBDSRLUYDXEOFF-UHFFFAOYSA-N	-1	1	305.342	-1.296	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@@H]2CCC(=O)N2C)nc1=O	ZINC001038592402	663356421	/nfs/dbraw/zinc/35/64/21/663356421.db2.gz	LVDVMLTWUUTNFH-UWVGGRQHSA-N	-1	1	322.369	-1.580	20	0		DAADMM
Cn1ncc(C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)n1	ZINC000951736030	663357964	/nfs/dbraw/zinc/35/79/64/663357964.db2.gz	IFTHTULJNFIRTO-UHFFFAOYSA-N	-1	1	306.330	-1.805	20	0		DAADMM
Cc1nn[nH]c1C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031891039	663373856	/nfs/dbraw/zinc/37/38/56/663373856.db2.gz	VNWLHJGCSHXXFA-UHFFFAOYSA-N	-1	1	306.330	-1.603	20	0		DAADMM
CN1C[C@H](C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)NC1=O	ZINC001031901703	663377632	/nfs/dbraw/zinc/37/76/32/663377632.db2.gz	AFTCGEYZQYREOS-SECBINFHSA-N	-1	1	323.357	-2.320	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)c3c[nH]c(=O)cn3)C2)nc1=O	ZINC001031931463	663385303	/nfs/dbraw/zinc/38/53/03/663385303.db2.gz	PCOAFEQLHMWJBW-UHFFFAOYSA-N	-1	1	319.325	-1.947	20	0		DAADMM
COCC(=O)N1CCN(C2CN(Cc3nc(=O)n(C)[n-]3)C2)CC1	ZINC000941268068	663386899	/nfs/dbraw/zinc/38/68/99/663386899.db2.gz	VIVNTTWNSVRPAI-UHFFFAOYSA-N	-1	1	324.385	-1.917	20	0		DAADMM
Cn1cc(C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)[nH]c1=O	ZINC001031950970	663394506	/nfs/dbraw/zinc/39/45/06/663394506.db2.gz	HDQCJQRMSVXDPG-UHFFFAOYSA-N	-1	1	321.341	-1.591	20	0		DAADMM
CO[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)c1ncccc1[O-]	ZINC000941601340	663400205	/nfs/dbraw/zinc/40/02/05/663400205.db2.gz	SWRRXOQCYHDCRE-PSASIEDQSA-N	-1	1	322.321	-1.382	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)nc1=O	ZINC001031981530	663407962	/nfs/dbraw/zinc/40/79/62/663407962.db2.gz	HNEWQAOXAYLMEK-BDAKNGLRSA-N	-1	1	308.342	-2.222	20	0		DAADMM
CNC(=O)CN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1	ZINC000942305215	663419978	/nfs/dbraw/zinc/41/99/78/663419978.db2.gz	SPLFVXFZWIRCBB-SFYZADRCSA-N	-1	1	324.341	-1.531	20	0		DAADMM
CNC(=O)CN1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1	ZINC000942305213	663420201	/nfs/dbraw/zinc/42/02/01/663420201.db2.gz	SPLFVXFZWIRCBB-HTQZYQBOSA-N	-1	1	324.341	-1.531	20	0		DAADMM
C[C@@H](C(N)=O)N1CC(CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001032127756	663440829	/nfs/dbraw/zinc/44/08/29/663440829.db2.gz	FBABOMWKGYUREL-ZETCQYMHSA-N	-1	1	319.325	-2.047	20	0		DAADMM
CNC(=O)CN1CC(CNC(=O)c2cc(=O)n3nc[n-]c3n2)C1	ZINC001032127641	663440925	/nfs/dbraw/zinc/44/09/25/663440925.db2.gz	AQYLBIIOSFFROZ-UHFFFAOYSA-N	-1	1	319.325	-2.175	20	0		DAADMM
CC(=O)N1CCO[C@H](CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000944682434	663462828	/nfs/dbraw/zinc/46/28/28/663462828.db2.gz	PRXMYSIFOSNREM-SECBINFHSA-N	-1	1	320.309	-1.605	20	0		DAADMM
CC(=O)N1CCO[C@@H](CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000944682435	663462922	/nfs/dbraw/zinc/46/29/22/663462922.db2.gz	PRXMYSIFOSNREM-VIFPVBQESA-N	-1	1	320.309	-1.605	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)Cn2cccn2)nc1=O	ZINC001032278974	663478543	/nfs/dbraw/zinc/47/85/43/663478543.db2.gz	UILFIGQBTTVILB-QWRGUYRKSA-N	-1	1	317.353	-1.210	20	0		DAADMM
CC1(C)CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC000996129993	663483695	/nfs/dbraw/zinc/48/36/95/663483695.db2.gz	WVFJWTJHXYNEMQ-RKDXNWHRSA-N	-1	1	322.369	-1.027	20	0		DAADMM
CC1(C)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC000996312026	663485607	/nfs/dbraw/zinc/48/56/07/663485607.db2.gz	UVTMOOUYKQEDGU-HRDYMLBCSA-N	-1	1	322.369	-1.042	20	0		DAADMM
Cc1cc(C(=O)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n[nH]1	ZINC000996742339	663491393	/nfs/dbraw/zinc/49/13/93/663491393.db2.gz	DAOSRBNZSDHLJB-UHFFFAOYSA-N	-1	1	319.281	-1.431	20	0		DAADMM
Cc1ncc(C(=O)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)[nH]1	ZINC000996746802	663492166	/nfs/dbraw/zinc/49/21/66/663492166.db2.gz	UVFYDQAYDIDSIF-UHFFFAOYSA-N	-1	1	319.281	-1.431	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)Cc2cc[nH]n2)nc1=O	ZINC001032327732	663493964	/nfs/dbraw/zinc/49/39/64/663493964.db2.gz	FOTXCBVNBCXFOT-QWRGUYRKSA-N	-1	1	317.353	-1.141	20	0		DAADMM
Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nc(=O)n(C)[n-]2)n1	ZINC001032388021	663503643	/nfs/dbraw/zinc/50/36/43/663503643.db2.gz	DNSMXMWLMFSVJL-IUCAKERBSA-N	-1	1	318.341	-1.664	20	0		DAADMM
C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CCN(CC(N)=O)CC1	ZINC000997205674	663508015	/nfs/dbraw/zinc/50/80/15/663508015.db2.gz	OOBKNLQWDXTPOF-SSDOTTSWSA-N	-1	1	324.341	-1.402	20	0		DAADMM
C[C@@H](O)CN1C[C@@H]2C[C@H]1CN2C(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC001032495482	663520980	/nfs/dbraw/zinc/52/09/80/663520980.db2.gz	LSNCCJXZQACNKD-UTLUCORTSA-N	-1	1	323.353	-1.119	20	0		DAADMM
C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CCN(CC(N)=O)CC1	ZINC000997659603	663521821	/nfs/dbraw/zinc/52/18/21/663521821.db2.gz	OOBKNLQWDXTPOF-ZETCQYMHSA-N	-1	1	324.341	-1.402	20	0		DAADMM
C[C@@H](O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cnc([O-])n(C)c1=O	ZINC001032557180	663526776	/nfs/dbraw/zinc/52/67/76/663526776.db2.gz	OKPXIVBUJAHNCK-UTLUCORTSA-N	-1	1	308.338	-1.235	20	0		DAADMM
O=C([C@H]1CCC(=O)N1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000998747167	663552163	/nfs/dbraw/zinc/55/21/63/663552163.db2.gz	TXGHDBUSEIQHDW-DTWKUNHWSA-N	-1	1	308.342	-1.131	20	0		DAADMM
O=C([C@H]1COC(=O)N1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000999055231	663554782	/nfs/dbraw/zinc/55/47/82/663554782.db2.gz	ATOSAZPQELAVBE-JGVFFNPUSA-N	-1	1	310.314	-1.301	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)Cc2cnc[nH]2)nc1=O	ZINC001032652627	663557390	/nfs/dbraw/zinc/55/73/90/663557390.db2.gz	VAFUNCBFTCBXCW-QWRGUYRKSA-N	-1	1	317.353	-1.141	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ccncn2)nc1=O	ZINC001032690233	663558502	/nfs/dbraw/zinc/55/85/02/663558502.db2.gz	YLKZZEOBEROSDX-UWVGGRQHSA-N	-1	1	315.337	-1.003	20	0		DAADMM
NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001032686202	663558639	/nfs/dbraw/zinc/55/86/39/663558639.db2.gz	IKFJZFSEILZZED-UWVGGRQHSA-N	-1	1	321.337	-2.303	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H]2C[C@H]1CN2CC(N)=O	ZINC001032729729	663577315	/nfs/dbraw/zinc/57/73/15/663577315.db2.gz	KOTHBMPCVZOFIN-BQBZGAKWSA-N	-1	1	323.309	-1.720	20	0		DAADMM
O=C(CCn1cnnn1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001000538434	663588439	/nfs/dbraw/zinc/58/84/39/663588439.db2.gz	QERMAYFRCISWQN-SECBINFHSA-N	-1	1	321.345	-1.332	20	0		DAADMM
C[C@H](C(N)=O)N1CCC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001001589091	663603811	/nfs/dbraw/zinc/60/38/11/663603811.db2.gz	NSAFRMFMDKDTNF-SSDOTTSWSA-N	-1	1	324.341	-1.402	20	0		DAADMM
Cn1nncc1C(=O)NC1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001002731829	663618677	/nfs/dbraw/zinc/61/86/77/663618677.db2.gz	RSYGCXHTTWGEDA-UHFFFAOYSA-N	-1	1	320.357	-1.369	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)c2cnns2)nc1=O	ZINC001038090358	663628384	/nfs/dbraw/zinc/62/83/84/663628384.db2.gz	BXIRAVZFQVPDRS-ZETCQYMHSA-N	-1	1	309.355	-1.036	20	0		DAADMM
Cn1nnc(C(=O)NC2CCN(Cc3nc(=O)n(C)[n-]3)CC2)n1	ZINC001003446736	663629463	/nfs/dbraw/zinc/62/94/63/663629463.db2.gz	DPJPOJAXOBZECF-UHFFFAOYSA-N	-1	1	321.345	-1.974	20	0		DAADMM
CN(C(=O)[C@H]1CCC(=O)N1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001032965861	663641767	/nfs/dbraw/zinc/64/17/67/663641767.db2.gz	ZCRLNHCOXHBZMO-NXEZZACHSA-N	-1	1	322.369	-1.580	20	0		DAADMM
O=C(NCC1CN(C(=O)c2ncccc2[O-])C1)[C@H]1CNC(=O)N1	ZINC001003955203	663642248	/nfs/dbraw/zinc/64/22/48/663642248.db2.gz	NYZLKPKCVVHNLC-SECBINFHSA-N	-1	1	319.321	-1.343	20	0		DAADMM
CN(C(=O)Cn1nccn1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033119038	663649870	/nfs/dbraw/zinc/64/98/70/663649870.db2.gz	JVYMQIMZWDIXHQ-SNVBAGLBSA-N	-1	1	320.357	-1.567	20	0		DAADMM
CN(C(=O)c1cn[nH]n1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033217211	663654894	/nfs/dbraw/zinc/65/48/94/663654894.db2.gz	NBHQEVKNEPMBKO-QMMMGPOBSA-N	-1	1	306.330	-1.427	20	0		DAADMM
CN(C(=O)c1cn[nH]n1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033217210	663655135	/nfs/dbraw/zinc/65/51/35/663655135.db2.gz	NBHQEVKNEPMBKO-MRVPVSSYSA-N	-1	1	306.330	-1.427	20	0		DAADMM
CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1	ZINC000625669272	663658026	/nfs/dbraw/zinc/65/80/26/663658026.db2.gz	XJJKXSYKLUPTAY-DTORHVGOSA-N	-1	1	317.367	-1.213	20	0		DAADMM
CN(C(=O)c1nc[nH]n1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033515063	663662134	/nfs/dbraw/zinc/66/21/34/663662134.db2.gz	DDGOGVWJDBZCIO-QMMMGPOBSA-N	-1	1	306.330	-1.427	20	0		DAADMM
CN(C(=O)c1cnn(C)n1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033505001	663662375	/nfs/dbraw/zinc/66/23/75/663662375.db2.gz	NGTLYUQPFFUAQG-SECBINFHSA-N	-1	1	320.357	-1.417	20	0		DAADMM
CN(C(=O)c1cc(=O)n2[n-]cnc2n1)[C@H]1CCN(CC(N)=O)C1	ZINC001033583479	663663799	/nfs/dbraw/zinc/66/37/99/663663799.db2.gz	QQFSOXMKZAJBBV-QMMMGPOBSA-N	-1	1	319.325	-1.951	20	0		DAADMM
CCN(C(=O)c1nc[nH]n1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033993317	663668335	/nfs/dbraw/zinc/66/83/35/663668335.db2.gz	TZPMYXHVAQEJMR-SECBINFHSA-N	-1	1	320.357	-1.037	20	0		DAADMM
CCN(C(=O)c1nc[nH]n1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033993318	663668717	/nfs/dbraw/zinc/66/87/17/663668717.db2.gz	TZPMYXHVAQEJMR-VIFPVBQESA-N	-1	1	320.357	-1.037	20	0		DAADMM
O=C(CN1CCOCC1)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001034915979	663675993	/nfs/dbraw/zinc/67/59/93/663675993.db2.gz	YEXBYMXFVVSWOR-LLVKDONJSA-N	-1	1	324.385	-1.077	20	0		DAADMM
O=C([C@@H]1COC(=O)N1)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001034926700	663676058	/nfs/dbraw/zinc/67/60/58/663676058.db2.gz	LYERTSHKJILZOJ-SFYZADRCSA-N	-1	1	310.314	-1.301	20	0		DAADMM
O=C(Cn1nccn1)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001034945451	663676076	/nfs/dbraw/zinc/67/60/76/663676076.db2.gz	CBNXFTZJCIHYFV-SECBINFHSA-N	-1	1	306.330	-1.117	20	0		DAADMM
O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1cnn[nH]1	ZINC001035430359	663682287	/nfs/dbraw/zinc/68/22/87/663682287.db2.gz	OFVAQLMNTRMSEH-SSDOTTSWSA-N	-1	1	308.302	-1.741	20	0		DAADMM
O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1cnn[nH]1	ZINC001035430360	663682423	/nfs/dbraw/zinc/68/24/23/663682423.db2.gz	OFVAQLMNTRMSEH-ZETCQYMHSA-N	-1	1	308.302	-1.741	20	0		DAADMM
CCN1CCO[C@H](CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001035576215	663687716	/nfs/dbraw/zinc/68/77/16/663687716.db2.gz	IYOVBUULTSLNAJ-SECBINFHSA-N	-1	1	306.326	-1.132	20	0		DAADMM
Cn1[n-]c(CN2CC3(C2)CCN(C(=O)C(N)=O)CC3)nc1=O	ZINC001035780470	663690399	/nfs/dbraw/zinc/69/03/99/663690399.db2.gz	HVDXESNPTPBHAO-UHFFFAOYSA-N	-1	1	308.342	-1.982	20	0		DAADMM
NC(=O)CC(=O)N1CC[C@H]2[C@H](CCN2Cc2n[nH]c(=O)[n-]2)C1	ZINC001036673419	663694212	/nfs/dbraw/zinc/69/42/12/663694212.db2.gz	PMYAYMNYCSYLPN-BDAKNGLRSA-N	-1	1	308.342	-1.192	20	0		DAADMM
CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CN2CCN1CC2	ZINC000866994951	663793888	/nfs/dbraw/zinc/79/38/88/663793888.db2.gz	VQGSPTJSLHSQMP-MGNBDDOMSA-N	-1	1	310.445	-1.062	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]Cc2ccon2)c(=O)n(C)c1=O	ZINC000747291317	663800196	/nfs/dbraw/zinc/80/01/96/663800196.db2.gz	DFNQYYHMOQUVFA-UHFFFAOYSA-N	-1	1	300.296	-1.450	20	0		DAADMM
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C1(C(N)=O)CC1	ZINC000751496543	663803276	/nfs/dbraw/zinc/80/32/76/663803276.db2.gz	DSHLERHYTSBVMC-UHFFFAOYSA-N	-1	1	302.312	-1.199	20	0		DAADMM
COC(=O)[C@H]1COCCN1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000752681211	663803627	/nfs/dbraw/zinc/80/36/27/663803627.db2.gz	ZGKLUDNYYDMJRO-SECBINFHSA-N	-1	1	311.294	-1.673	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CC(=O)N(C2CC2)C1	ZINC000752470098	663803904	/nfs/dbraw/zinc/80/39/04/663803904.db2.gz	NMVQTRJNZZVCQT-SECBINFHSA-N	-1	1	306.322	-1.194	20	0		DAADMM
COCC(=O)N[C@H](C(=O)OCc1nc(=O)n(C)[n-]1)C(C)C	ZINC000765479935	663812975	/nfs/dbraw/zinc/81/29/75/663812975.db2.gz	INFYKHWBIWEHLS-JTQLQIEISA-N	-1	1	300.315	-1.061	20	0		DAADMM
CCN1CCN(CC(=O)OCc2nc(=O)n(C)[n-]2)C(=O)C1=O	ZINC000765442965	663813083	/nfs/dbraw/zinc/81/30/83/663813083.db2.gz	DRHRTKXYNFZYMS-UHFFFAOYSA-N	-1	1	311.298	-2.158	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCN([C@@H]2CCOC2)CC1	ZINC000771029838	663817684	/nfs/dbraw/zinc/81/76/84/663817684.db2.gz	BUYQHLGIFXGXKK-GFCCVEGCSA-N	-1	1	322.365	-1.140	20	0		DAADMM
COC(=O)CNC(=O)COC(=O)c1cc(=O)[n-]c(N(C)C)n1	ZINC000786494820	663829385	/nfs/dbraw/zinc/82/93/85/663829385.db2.gz	WSWQJPIROJMKBV-UHFFFAOYSA-N	-1	1	312.282	-1.306	20	0		DAADMM
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OCCCCO)o1	ZINC000786196647	663829723	/nfs/dbraw/zinc/82/97/23/663829723.db2.gz	HSQWXDZBDSZEKV-UHFFFAOYSA-N	-1	1	320.323	-1.028	20	0		DAADMM
O=C([N-]OCCO)[C@@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000787291623	663830047	/nfs/dbraw/zinc/83/00/47/663830047.db2.gz	CCVGJDNIRLHRHL-LLVKDONJSA-N	-1	1	301.343	-1.793	20	0		DAADMM
C[C@@H](NS(C)(=O)=O)C(=O)N1CCSC[C@H]1c1nn[n-]n1	ZINC000789924511	663832758	/nfs/dbraw/zinc/83/27/58/663832758.db2.gz	YHUDXKKRKAFOAY-RQJHMYQMSA-N	-1	1	320.400	-1.246	20	0		DAADMM
Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NN1CC(=O)[N-]C1=O	ZINC000792058853	663834214	/nfs/dbraw/zinc/83/42/14/663834214.db2.gz	BFEDTQLEFCJWCX-CYBMUJFWSA-N	-1	1	308.294	-1.509	20	0		DAADMM
C[C@@H](O)C[N@H+]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@@H](C)C1	ZINC000793875645	663835332	/nfs/dbraw/zinc/83/53/32/663835332.db2.gz	UALBBLRAJSAABK-NWDGAFQWSA-N	-1	1	324.381	-1.160	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCOC[C@]12CCOC2	ZINC000799764408	663840295	/nfs/dbraw/zinc/84/02/95/663840295.db2.gz	GOFGGIAISQSMPG-CQSZACIVSA-N	-1	1	309.322	-1.055	20	0		DAADMM
C[C@@H](CN1CCOCC1)C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC000800553448	663840910	/nfs/dbraw/zinc/84/09/10/663840910.db2.gz	OKNFQFFNUFKCDE-JTQLQIEISA-N	-1	1	321.399	-1.463	20	0		DAADMM
CN1C[C@@H](NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC1=O	ZINC000806931503	663846197	/nfs/dbraw/zinc/84/61/97/663846197.db2.gz	QSKLDTXKZZCREA-QMMMGPOBSA-N	-1	1	316.321	-1.373	20	0		DAADMM
CN1C[C@H](NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC1=O	ZINC000806931499	663846359	/nfs/dbraw/zinc/84/63/59/663846359.db2.gz	QSKLDTXKZZCREA-MRVPVSSYSA-N	-1	1	316.321	-1.373	20	0		DAADMM
C[C@@H](O)C[C@@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000824699727	663863254	/nfs/dbraw/zinc/86/32/54/663863254.db2.gz	UZDYVXAZPTVEFK-RNFRBKRXSA-N	-1	1	309.330	-1.165	20	0		DAADMM
C[C@H](O)C[C@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000824699725	663863507	/nfs/dbraw/zinc/86/35/07/663863507.db2.gz	UZDYVXAZPTVEFK-BQBZGAKWSA-N	-1	1	309.330	-1.165	20	0		DAADMM
CCc1nnc(Cn2c(=O)c(-c3nn[n-]n3)cn(CC)c2=O)[nH]1	ZINC000825749382	663865164	/nfs/dbraw/zinc/86/51/64/663865164.db2.gz	CSHPTCHVZSRSSL-UHFFFAOYSA-N	-1	1	317.313	-1.061	20	0		DAADMM
C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC000834416274	663874769	/nfs/dbraw/zinc/87/47/69/663874769.db2.gz	GCQMNDPZJPLKJF-MRVPVSSYSA-N	-1	1	316.321	-1.073	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)N[C@H](C)CN1CCN(C)CC1	ZINC000845547551	663884624	/nfs/dbraw/zinc/88/46/24/663884624.db2.gz	RRMLAMXFJYWCEX-LLVKDONJSA-N	-1	1	301.391	-1.011	20	0		DAADMM
CC(C)(C)n1nnc(CNC(=O)CCn2cc[n-]c(=O)c2=O)n1	ZINC000848296721	663891614	/nfs/dbraw/zinc/89/16/14/663891614.db2.gz	JIJYJAQWAULSAW-UHFFFAOYSA-N	-1	1	321.341	-1.015	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@]2(C(N)=O)CCOC2)nc1Cl	ZINC000848503933	663892147	/nfs/dbraw/zinc/89/21/47/663892147.db2.gz	VURLVPBKSRLSSS-SECBINFHSA-N	-1	1	308.747	-1.004	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)c1cc(S(N)(=O)=O)ccc1O	ZINC000855023780	663905599	/nfs/dbraw/zinc/90/55/99/663905599.db2.gz	HQIMKUIEWTVTKF-UHFFFAOYSA-N	-1	1	317.323	-1.163	20	0		DAADMM
CS(=O)(=O)NC1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC000862841010	663921726	/nfs/dbraw/zinc/92/17/26/663921726.db2.gz	CGPQWYMFUVTITC-UHFFFAOYSA-N	-1	1	316.339	-2.313	20	0		DAADMM
O=C(/C=C/CN1CCOCC1)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC000865596197	663931113	/nfs/dbraw/zinc/93/11/13/663931113.db2.gz	VKGCQLKKIJGNEN-FMBMQGQPSA-N	-1	1	308.342	-1.012	20	0		DAADMM
CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@@H]1COCCO1	ZINC000881803192	663957544	/nfs/dbraw/zinc/95/75/44/663957544.db2.gz	ZBDORIMQOKJLJA-RBHXEPJQSA-N	-1	1	301.390	-1.189	20	0		DAADMM
O=C(CCn1nnc2ccccc2c1=O)NN1CC(=O)[N-]C1=O	ZINC000029019436	663962211	/nfs/dbraw/zinc/96/22/11/663962211.db2.gz	DVXCHZWPQBZDGT-UHFFFAOYSA-N	-1	1	316.277	-1.235	20	0		DAADMM
O=C(CNC(=O)c1ccc2c(c1)OCO2)NN1CC(=O)[N-]C1=O	ZINC000029019145	663962432	/nfs/dbraw/zinc/96/24/32/663962432.db2.gz	VNRNFFYBBSRLRM-UHFFFAOYSA-N	-1	1	320.261	-1.272	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)Cn3nccn3)CC2)nc1=O	ZINC000948549053	664019181	/nfs/dbraw/zinc/01/91/81/664019181.db2.gz	XHQFPWAZFGPLNE-UHFFFAOYSA-N	-1	1	306.330	-1.956	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)nc1=O	ZINC000948733087	664019808	/nfs/dbraw/zinc/01/98/08/664019808.db2.gz	BMPJNOMJZIIPSN-JTQLQIEISA-N	-1	1	322.369	-1.721	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@]3(C)CNC(=O)C3)CC2)nc1=O	ZINC000949442959	664036106	/nfs/dbraw/zinc/03/61/06/664036106.db2.gz	OASCLQDYPZVHMN-AWEZNQCLSA-N	-1	1	322.369	-1.721	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@@]3(C)CNC(=O)C3)CC2)nc1=O	ZINC000949442960	664036598	/nfs/dbraw/zinc/03/65/98/664036598.db2.gz	OASCLQDYPZVHMN-CQSZACIVSA-N	-1	1	322.369	-1.721	20	0		DAADMM
Cn1nnc(C(=O)N2CC[C@@H]2CNC(=O)c2ncccc2[O-])n1	ZINC000949541170	664038089	/nfs/dbraw/zinc/03/80/89/664038089.db2.gz	BLXHINORXOSEGH-MRVPVSSYSA-N	-1	1	317.309	-1.045	20	0		DAADMM
O=C(NC[C@@H]1CCN1C(=O)[C@H]1CNC(=O)N1)c1ncccc1[O-]	ZINC000949538202	664038165	/nfs/dbraw/zinc/03/81/65/664038165.db2.gz	HNPXONGNRLMFLG-DTWKUNHWSA-N	-1	1	319.321	-1.201	20	0		DAADMM
O=C(Cn1cnnn1)N1CC[C@H]1CNC(=O)c1ncccc1[O-]	ZINC000949531010	664038270	/nfs/dbraw/zinc/03/82/70/664038270.db2.gz	LABRIKFSGUEARX-VIFPVBQESA-N	-1	1	317.309	-1.195	20	0		DAADMM
CCN(C(=O)c1ncn(C)n1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000949999096	664049959	/nfs/dbraw/zinc/04/99/59/664049959.db2.gz	LIXMUWRHDTYJJE-UHFFFAOYSA-N	-1	1	320.357	-1.417	20	0		DAADMM
NC(=O)C(=O)N1CC[C@H]1CNC(=O)c1cnc(C2CC2)[n-]c1=O	ZINC000950038751	664050255	/nfs/dbraw/zinc/05/02/55/664050255.db2.gz	ZVODMAVLSKDOSZ-QMMMGPOBSA-N	-1	1	319.321	-1.124	20	0		DAADMM
Cc1ccn(CC(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)n1	ZINC000950570352	664059153	/nfs/dbraw/zinc/05/91/53/664059153.db2.gz	IEDDMTYURFQTMU-UHFFFAOYSA-N	-1	1	319.369	-1.042	20	0		DAADMM
O=C(CCc1c[nH]nn1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000950584143	664059442	/nfs/dbraw/zinc/05/94/42/664059442.db2.gz	OIRVHKRMWLDCAN-UHFFFAOYSA-N	-1	1	306.330	-1.095	20	0		DAADMM
O=C(CCc1cnn[nH]1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000950584143	664059445	/nfs/dbraw/zinc/05/94/45/664059445.db2.gz	OIRVHKRMWLDCAN-UHFFFAOYSA-N	-1	1	306.330	-1.095	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)c3ccnnc3)CC2)nc1=O	ZINC000950682670	664060662	/nfs/dbraw/zinc/06/06/62/664060662.db2.gz	IVYOAXGDWUYWTA-UHFFFAOYSA-N	-1	1	303.326	-1.144	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H]1CNC(=O)c1cnn[nH]1	ZINC000950995239	664067117	/nfs/dbraw/zinc/06/71/17/664067117.db2.gz	LUBVRUMOZFWARA-ZCFIWIBFSA-N	-1	1	322.285	-2.162	20	0		DAADMM
O=C(NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)c1cnn[nH]1	ZINC000950995413	664067222	/nfs/dbraw/zinc/06/72/22/664067222.db2.gz	QBOWZFSBZTYLRO-YFKPBYRVSA-N	-1	1	320.269	-1.955	20	0		DAADMM
COCC(=O)N1CC[C@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000951222270	664073011	/nfs/dbraw/zinc/07/30/11/664073011.db2.gz	IZCZFITZBLLDCM-QMMMGPOBSA-N	-1	1	320.309	-1.605	20	0		DAADMM
O=C(NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)c1ncn[nH]1	ZINC000951582193	664084982	/nfs/dbraw/zinc/08/49/82/664084982.db2.gz	DWWJZIJTQMMCAP-RXMQYKEDSA-N	-1	1	320.269	-1.955	20	0		DAADMM
O=C(NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)c1nc[nH]n1	ZINC000951582193	664084988	/nfs/dbraw/zinc/08/49/88/664084988.db2.gz	DWWJZIJTQMMCAP-RXMQYKEDSA-N	-1	1	320.269	-1.955	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)nc1=O	ZINC000951722192	664092486	/nfs/dbraw/zinc/09/24/86/664092486.db2.gz	OLJHWIQLLPAILT-SNVBAGLBSA-N	-1	1	322.369	-1.579	20	0		DAADMM
C[C@@H](C(N)=O)N1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC000957314801	664209527	/nfs/dbraw/zinc/20/95/27/664209527.db2.gz	OZUUCOFNGQUYAO-QMMMGPOBSA-N	-1	1	319.325	-1.951	20	0		DAADMM
Cn1cncc1CC(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC000957331968	664210710	/nfs/dbraw/zinc/21/07/10/664210710.db2.gz	DQNJUOLRZRDAGM-UHFFFAOYSA-N	-1	1	319.369	-1.271	20	0		DAADMM
Cn1[n-]c(CN2C[C@H](O)[C@@H](CNC(=O)c3ccco3)C2)nc1=O	ZINC000957829934	664219526	/nfs/dbraw/zinc/21/95/26/664219526.db2.gz	DNEMOTFAJYASQT-UWVGGRQHSA-N	-1	1	321.337	-1.076	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](CNC(=O)c3ccc[nH]3)[C@H](O)C2)nc1=O	ZINC000957868687	664221014	/nfs/dbraw/zinc/22/10/14/664221014.db2.gz	DKTHVPVZCCRDAS-MWLCHTKSSA-N	-1	1	320.353	-1.341	20	0		DAADMM
Cn1[n-]c(CN2C[C@H](O)[C@@H](CNC(=O)c3ccoc3)C2)nc1=O	ZINC000957872231	664221067	/nfs/dbraw/zinc/22/10/67/664221067.db2.gz	ASILDFAPVSGMDZ-QWRGUYRKSA-N	-1	1	321.337	-1.076	20	0		DAADMM
Cn1[n-]c(CN2C[C@H](O)[C@H](CNC(=O)c3ccoc3)C2)nc1=O	ZINC000957872230	664221531	/nfs/dbraw/zinc/22/15/31/664221531.db2.gz	ASILDFAPVSGMDZ-MNOVXSKESA-N	-1	1	321.337	-1.076	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@@H](CNC(=O)c3ccn[nH]3)C2)nc1=O	ZINC000957894748	664222261	/nfs/dbraw/zinc/22/22/61/664222261.db2.gz	OCOXYQXBSROVKG-WCBMZHEXSA-N	-1	1	321.341	-1.946	20	0		DAADMM
Cn1[n-]c(CN2C[C@H](O)[C@H](CNC(=O)c3ccn[nH]3)C2)nc1=O	ZINC000957894747	664222505	/nfs/dbraw/zinc/22/25/05/664222505.db2.gz	OCOXYQXBSROVKG-SCZZXKLOSA-N	-1	1	321.341	-1.946	20	0		DAADMM
Cn1[n-]c(CN2C[C@H](O)[C@@H](CNC(=O)c3ccon3)C2)nc1=O	ZINC000957897993	664223186	/nfs/dbraw/zinc/22/31/86/664223186.db2.gz	LOIDRVWURHSPHF-WPRPVWTQSA-N	-1	1	322.325	-1.681	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@@H](CNC(=O)c3ccon3)C2)nc1=O	ZINC000957897991	664223786	/nfs/dbraw/zinc/22/37/86/664223786.db2.gz	LOIDRVWURHSPHF-WCBMZHEXSA-N	-1	1	322.325	-1.681	20	0		DAADMM
CNC(=O)CN1C[C@H](O)[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC000957992558	664229429	/nfs/dbraw/zinc/22/94/29/664229429.db2.gz	XRZAERHUIMOUIV-ONGXEEELSA-N	-1	1	308.338	-1.444	20	0		DAADMM
CN(C)C(=O)CN1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](O)C1	ZINC000957997515	664229706	/nfs/dbraw/zinc/22/97/06/664229706.db2.gz	ZFXFXQNQEHPRCH-ZYHUDNBSSA-N	-1	1	322.365	-1.102	20	0		DAADMM
Cn1[n-]c(CN2C[C@H](O)[C@H](CNC(=O)c3ncc[nH]3)C2)nc1=O	ZINC000958055953	664235046	/nfs/dbraw/zinc/23/50/46/664235046.db2.gz	IFDUUHPPXSJJQI-BDAKNGLRSA-N	-1	1	321.341	-1.946	20	0		DAADMM
O=C(NC[C@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cnn[n-]1	ZINC000958207163	664246221	/nfs/dbraw/zinc/24/62/21/664246221.db2.gz	SKXIOTRZWLRHJQ-XPUUQOCRSA-N	-1	1	308.302	-2.149	20	0		DAADMM
Cn1[n-]c(CN2C[C@H](O)[C@H](CNC(=O)c3cnco3)C2)nc1=O	ZINC000958288765	664252698	/nfs/dbraw/zinc/25/26/98/664252698.db2.gz	PUXNQBPCCKNLFA-BDAKNGLRSA-N	-1	1	322.325	-1.681	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@@H](CNC(=O)c3cnco3)C2)nc1=O	ZINC000958288766	664252895	/nfs/dbraw/zinc/25/28/95/664252895.db2.gz	PUXNQBPCCKNLFA-DTWKUNHWSA-N	-1	1	322.325	-1.681	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnsn2)nc1=O	ZINC000958289654	664252975	/nfs/dbraw/zinc/25/29/75/664252975.db2.gz	RTYOXZXMWZWNCW-MTBHXBHISA-N	-1	1	321.366	-1.180	20	0		DAADMM
CC(=O)N(C)[C@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@@H]1O	ZINC000958345211	664259814	/nfs/dbraw/zinc/25/98/14/664259814.db2.gz	ZSKVLMJTCMEMKF-QWRGUYRKSA-N	-1	1	324.337	-2.023	20	0		DAADMM
CC(=O)N(C)[C@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@@H]1O	ZINC000958343735	664259911	/nfs/dbraw/zinc/25/99/11/664259911.db2.gz	DRVSJYYEYQGSKP-UWVGGRQHSA-N	-1	1	320.309	-1.919	20	0		DAADMM
Cn1nccc1C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC000958366562	664261595	/nfs/dbraw/zinc/26/15/95/664261595.db2.gz	XIZGEVUQCBDRBS-GDGBQDQQSA-N	-1	1	317.353	-1.298	20	0		DAADMM
Cn1[n-]c(CN2C[C@H](O)[C@H](CNC(=O)c3cnon3)C2)nc1=O	ZINC000958510955	664275316	/nfs/dbraw/zinc/27/53/16/664275316.db2.gz	CLMBFYINIKOGFQ-APPZFPTMSA-N	-1	1	323.313	-2.286	20	0		DAADMM
Cn1[n-]c(CN2C[C@H](O)[C@@H](CNC(=O)c3cnon3)C2)nc1=O	ZINC000958510956	664275448	/nfs/dbraw/zinc/27/54/48/664275448.db2.gz	CLMBFYINIKOGFQ-CBAPKCEASA-N	-1	1	323.313	-2.286	20	0		DAADMM
Cn1nncc1C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC000958746858	664290927	/nfs/dbraw/zinc/29/09/27/664290927.db2.gz	MFCLVYNIUCBCKZ-VROVMSAKSA-N	-1	1	318.341	-1.903	20	0		DAADMM
CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000958896125	664299560	/nfs/dbraw/zinc/29/95/60/664299560.db2.gz	RSUCYFLXWOHPJY-UWVGGRQHSA-N	-1	1	320.309	-1.919	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@@H]1CCCN1C(=O)CC(N)=O	ZINC000960495933	664320836	/nfs/dbraw/zinc/32/08/36/664320836.db2.gz	DMADCKYWHUMDMV-VIFPVBQESA-N	-1	1	310.358	-1.593	20	0		DAADMM
Cn1cncc1C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC000960842873	664325429	/nfs/dbraw/zinc/32/54/29/664325429.db2.gz	DTQYKIHTPFSSEL-GDGBQDQQSA-N	-1	1	317.353	-1.298	20	0		DAADMM
CC(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@@H]1O	ZINC000961066380	664330169	/nfs/dbraw/zinc/33/01/69/664330169.db2.gz	YRDMSDQFIFJRPE-BDAKNGLRSA-N	-1	1	306.282	-2.261	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2cnoc2)nc1=O	ZINC000961567456	664346673	/nfs/dbraw/zinc/34/66/73/664346673.db2.gz	QPUAXMPAEIUKNP-IWIIMEHWSA-N	-1	1	318.337	-1.115	20	0		DAADMM
Cc1nonc1C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC000963044714	664387702	/nfs/dbraw/zinc/38/77/02/664387702.db2.gz	JFWNWZGNZFVDEC-VROVMSAKSA-N	-1	1	319.325	-1.340	20	0		DAADMM
CC(=O)NC[C@@H]1COCCN1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000964039652	664398751	/nfs/dbraw/zinc/39/87/51/664398751.db2.gz	AZCYMMMMDUTHAR-LLVKDONJSA-N	-1	1	324.337	-1.710	20	0		DAADMM
NC(=O)C(=O)N1CCOC[C@H]1CNC(=O)c1ncccc1[O-]	ZINC000964154862	664401859	/nfs/dbraw/zinc/40/18/59/664401859.db2.gz	NAKLDDRDBPMBHZ-MRVPVSSYSA-N	-1	1	308.294	-1.770	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)C2=COCCO2)nc1=O	ZINC001038022951	664472661	/nfs/dbraw/zinc/47/26/61/664472661.db2.gz	DZTGMEWDJOOCLD-VIFPVBQESA-N	-1	1	309.326	-1.313	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)C2=COCCO2)nc1=O	ZINC001038022948	664472758	/nfs/dbraw/zinc/47/27/58/664472758.db2.gz	DZTGMEWDJOOCLD-SECBINFHSA-N	-1	1	309.326	-1.313	20	0		DAADMM
CN1CCO[C@@H](C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)C1	ZINC000968299404	664473908	/nfs/dbraw/zinc/47/39/08/664473908.db2.gz	BKJSUIFQYPPANH-NXEZZACHSA-N	-1	1	310.358	-1.469	20	0		DAADMM
CN1CCO[C@H](C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)C1	ZINC000968299407	664474164	/nfs/dbraw/zinc/47/41/64/664474164.db2.gz	BKJSUIFQYPPANH-ZJUUUORDSA-N	-1	1	310.358	-1.469	20	0		DAADMM
O=C([C@@H]1CCNC(=O)C1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000968391585	664476703	/nfs/dbraw/zinc/47/67/03/664476703.db2.gz	MQOFVQZCVUMSLT-RKDXNWHRSA-N	-1	1	308.342	-1.273	20	0		DAADMM
Cn1oc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)cc1=O	ZINC000968515642	664479692	/nfs/dbraw/zinc/47/96/92/664479692.db2.gz	BYCJJYJIISHYKV-SSDOTTSWSA-N	-1	1	308.298	-1.194	20	0		DAADMM
Cc1cnn(CC(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)c1	ZINC000968694101	664482451	/nfs/dbraw/zinc/48/24/51/664482451.db2.gz	ABSNFBLJVLSLEK-MNOVXSKESA-N	-1	1	319.325	-1.689	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H](NC(=O)Cn3cnnn3)C2)nc1=O	ZINC001006685312	664491591	/nfs/dbraw/zinc/49/15/91/664491591.db2.gz	PPYWCLDDOLIAGP-VIFPVBQESA-N	-1	1	321.345	-2.124	20	0		DAADMM
Cn1cnc(C(=O)N[C@@H]2CCCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001007271244	664494307	/nfs/dbraw/zinc/49/43/07/664494307.db2.gz	FVXYIGFVTHCNLE-SECBINFHSA-N	-1	1	320.357	-1.369	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H](NC(=O)Cn3nccn3)C2)nc1=O	ZINC001007422094	664495036	/nfs/dbraw/zinc/49/50/36/664495036.db2.gz	BMJHJLAYCDJNLI-SNVBAGLBSA-N	-1	1	320.357	-1.519	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)nc1=O	ZINC001008379161	664501820	/nfs/dbraw/zinc/50/18/20/664501820.db2.gz	ZOXNMYOYMJSTOD-RKDXNWHRSA-N	-1	1	323.357	-2.130	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)nc1=O	ZINC001008379159	664501829	/nfs/dbraw/zinc/50/18/29/664501829.db2.gz	ZOXNMYOYMJSTOD-IUCAKERBSA-N	-1	1	323.357	-2.130	20	0		DAADMM
CC(=O)NC[C@@H]1[C@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@H]21	ZINC001008654621	664503687	/nfs/dbraw/zinc/50/36/87/664503687.db2.gz	APEBKKRRLWSQQN-CNDDSTCGSA-N	-1	1	320.349	-1.233	20	0		DAADMM
Cn1[nH]c(CN2CCC[C@@H](NC(=O)Cc3nnc[nH]3)C2)nc1=O	ZINC001009133987	664505596	/nfs/dbraw/zinc/50/55/96/664505596.db2.gz	SVJILUNOFUPURK-SECBINFHSA-N	-1	1	320.357	-1.450	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H](NC(=O)Cc3nc[nH]n3)C2)nc1=O	ZINC001009133987	664505597	/nfs/dbraw/zinc/50/55/97/664505597.db2.gz	SVJILUNOFUPURK-SECBINFHSA-N	-1	1	320.357	-1.450	20	0		DAADMM
Cn1[nH]c(CN2CCC[C@H](NC(=O)Cc3nnc[nH]3)C2)nc1=O	ZINC001009133988	664505791	/nfs/dbraw/zinc/50/57/91/664505791.db2.gz	SVJILUNOFUPURK-VIFPVBQESA-N	-1	1	320.357	-1.450	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H](NC(=O)Cc3nc[nH]n3)C2)nc1=O	ZINC001009133988	664505792	/nfs/dbraw/zinc/50/57/92/664505792.db2.gz	SVJILUNOFUPURK-VIFPVBQESA-N	-1	1	320.357	-1.450	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3cnccn3)C2)nc1=O	ZINC001009973269	664511736	/nfs/dbraw/zinc/51/17/36/664511736.db2.gz	ZHESEBYFEWZHRI-VIFPVBQESA-N	-1	1	303.326	-1.097	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)nc1=O	ZINC001010258375	664514089	/nfs/dbraw/zinc/51/40/89/664514089.db2.gz	SXLJWVKEHLKRRD-NXEZZACHSA-N	-1	1	311.342	-1.786	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@@H]3CN(C)CCO3)C2)nc1=O	ZINC001010429822	664515805	/nfs/dbraw/zinc/51/58/05/664515805.db2.gz	WKAOUGXCQACUKL-MNOVXSKESA-N	-1	1	324.385	-1.871	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)nc1=O	ZINC001010494427	664516152	/nfs/dbraw/zinc/51/61/52/664516152.db2.gz	BJBZICQNGZUATM-ZJUUUORDSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@H]3COCCN3C)C2)nc1=O	ZINC001010689728	664517961	/nfs/dbraw/zinc/51/79/61/664517961.db2.gz	JDSCCIPDMUKYHK-GHMZBOCLSA-N	-1	1	324.385	-1.871	20	0		DAADMM
Cn1ncc(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)c1N	ZINC001010705821	664518785	/nfs/dbraw/zinc/51/87/85/664518785.db2.gz	HIUYDKFQIGLQBX-QMMMGPOBSA-N	-1	1	320.357	-1.572	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3cc(=O)n(C)o3)C2)nc1=O	ZINC001010773151	664519346	/nfs/dbraw/zinc/51/93/46/664519346.db2.gz	KHGUYGLVWCVFPX-QMMMGPOBSA-N	-1	1	322.325	-1.596	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@H]2CCC(=O)N2C)nc1=O	ZINC001038631624	664549832	/nfs/dbraw/zinc/54/98/32/664549832.db2.gz	LVDVMLTWUUTNFH-VHSXEESVSA-N	-1	1	322.369	-1.580	20	0		DAADMM
CCn1ncc(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001014353831	664553273	/nfs/dbraw/zinc/55/32/73/664553273.db2.gz	FKGSBCYGQRAGFJ-VIFPVBQESA-N	-1	1	320.357	-1.276	20	0		DAADMM
Cc1nc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n[nH]1	ZINC001014399377	664553660	/nfs/dbraw/zinc/55/36/60/664553660.db2.gz	UZCHQSOORUVJQA-QMMMGPOBSA-N	-1	1	306.330	-1.130	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3cnc[nH]c3=O)C2)nc1=O	ZINC001014868674	664558057	/nfs/dbraw/zinc/55/80/57/664558057.db2.gz	KYEQZMOBNVINCV-QMMMGPOBSA-N	-1	1	319.325	-1.392	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3cn[nH]c(=O)c3)C2)nc1=O	ZINC001014830684	664558082	/nfs/dbraw/zinc/55/80/82/664558082.db2.gz	DRZCCAJKTYYIQW-SECBINFHSA-N	-1	1	319.325	-1.392	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@H]3CCCC(=O)N3)C2)nc1=O	ZINC001014859661	664558096	/nfs/dbraw/zinc/55/80/96/664558096.db2.gz	IOOSVTDHUHSOIU-NXEZZACHSA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@@H]3CCCNC3=O)C2)nc1=O	ZINC001014813001	664558201	/nfs/dbraw/zinc/55/82/01/664558201.db2.gz	XIZTYDRHWJJMMS-NXEZZACHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)nc1=O	ZINC001014830685	664558351	/nfs/dbraw/zinc/55/83/51/664558351.db2.gz	DRZCCAJKTYYIQW-VIFPVBQESA-N	-1	1	319.325	-1.392	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@]3(C)CNC(=O)C3)C2)nc1=O	ZINC001015380012	664562894	/nfs/dbraw/zinc/56/28/94/664562894.db2.gz	ZFAZFSHDTNRXFW-XPTSAGLGSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@@]3(C)CNC(=O)C3)C2)nc1=O	ZINC001015379998	664563126	/nfs/dbraw/zinc/56/31/26/664563126.db2.gz	ZFAZFSHDTNRXFW-LKFCYVNXSA-N	-1	1	322.369	-1.675	20	0		DAADMM
CN1C[C@@H](C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)NC1=O	ZINC001015513998	664564620	/nfs/dbraw/zinc/56/46/20/664564620.db2.gz	NZAUIEBPBWZCSM-BDAKNGLRSA-N	-1	1	323.357	-2.178	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@]3(F)CCOC3)C2)nc1=O	ZINC001015607229	664565519	/nfs/dbraw/zinc/56/55/19/664565519.db2.gz	INEAWGDJKNIKFV-ZANVPECISA-N	-1	1	313.333	-1.073	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)nc1=O	ZINC001015625472	664566108	/nfs/dbraw/zinc/56/61/08/664566108.db2.gz	ABDGZWAWTGAYTI-MRVPVSSYSA-N	-1	1	319.325	-1.804	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)nc1=O	ZINC001015634544	664566113	/nfs/dbraw/zinc/56/61/13/664566113.db2.gz	MGHDCNWMBDYEQI-JGVFFNPUSA-N	-1	1	309.330	-2.520	20	0		DAADMM
Cn1cc(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)[nH]c1=O	ZINC001015656981	664566509	/nfs/dbraw/zinc/56/65/09/664566509.db2.gz	GWKSQHBIJIWATI-QMMMGPOBSA-N	-1	1	321.341	-1.448	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3n[nH]cc3F)C2)nc1=O	ZINC001015670832	664566922	/nfs/dbraw/zinc/56/69/22/664566922.db2.gz	SCLFAKJHTSORGC-ZETCQYMHSA-N	-1	1	309.305	-1.025	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)nc1=O	ZINC001015711551	664567248	/nfs/dbraw/zinc/56/72/48/664567248.db2.gz	KKLLAZNQESPUFP-HLTSFMKQSA-N	-1	1	308.342	-2.080	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3ccnnc3)C2)nc1=O	ZINC001015748891	664567306	/nfs/dbraw/zinc/56/73/06/664567306.db2.gz	YZQHWSAXFLEVGA-JTQLQIEISA-N	-1	1	303.326	-1.097	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)C[C@H]3CCC(=O)N3)C2)nc1=O	ZINC001015833303	664568383	/nfs/dbraw/zinc/56/83/83/664568383.db2.gz	BCIUNAILAUNCRY-NXEZZACHSA-N	-1	1	322.369	-1.532	20	0		DAADMM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1CCN(CCCO)C1	ZINC001015865157	664568977	/nfs/dbraw/zinc/56/89/77/664568977.db2.gz	RNEXMJPWWZXEPM-SNVBAGLBSA-N	-1	1	320.353	-1.356	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3ccncn3)C2)nc1=O	ZINC001015873771	664569538	/nfs/dbraw/zinc/56/95/38/664569538.db2.gz	KKZLNGKBMYXVRL-SECBINFHSA-N	-1	1	303.326	-1.097	20	0		DAADMM
C[C@H](C(N)=O)N1CC[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001015991938	664570625	/nfs/dbraw/zinc/57/06/25/664570625.db2.gz	IGNQYCANGJNURL-HTQZYQBOSA-N	-1	1	319.325	-1.905	20	0		DAADMM
NC(=O)CN1CC[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001015993654	664570652	/nfs/dbraw/zinc/57/06/52/664570652.db2.gz	YUQIYTRKNCCWSX-ZETCQYMHSA-N	-1	1	305.298	-2.293	20	0		DAADMM
CNC(=O)CN1CC[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001015989068	664570784	/nfs/dbraw/zinc/57/07/84/664570784.db2.gz	LIEQDQMYBSDZTO-QMMMGPOBSA-N	-1	1	319.325	-2.032	20	0		DAADMM
Cc1nc(CN2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n[nH]1	ZINC001016110991	664570944	/nfs/dbraw/zinc/57/09/44/664570944.db2.gz	NTRUWBRVEVOWQZ-MRVPVSSYSA-N	-1	1	322.329	-1.493	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)Cn3cncn3)C2)nc1=O	ZINC001016185880	664571339	/nfs/dbraw/zinc/57/13/39/664571339.db2.gz	XPVIOUQBLHFGAL-VIFPVBQESA-N	-1	1	306.330	-1.909	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)Cn3ccnc3)C2)nc1=O	ZINC001016394233	664574461	/nfs/dbraw/zinc/57/44/61/664574461.db2.gz	MCTFETLUAFHECN-SNVBAGLBSA-N	-1	1	305.342	-1.304	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)Cn3ccnc3)C2)nc1=O	ZINC001016394232	664574724	/nfs/dbraw/zinc/57/47/24/664574724.db2.gz	MCTFETLUAFHECN-JTQLQIEISA-N	-1	1	305.342	-1.304	20	0		DAADMM
NC(=O)CN1CCC2(C[C@H]2NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1	ZINC001016946904	664579232	/nfs/dbraw/zinc/57/92/32/664579232.db2.gz	HJVHZPPGAQXMNN-MRVPVSSYSA-N	-1	1	324.341	-1.855	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3CC[C@@H](C2)N3C(=O)c2nc[nH]n2)nc1=O	ZINC001018076584	664584705	/nfs/dbraw/zinc/58/47/05/664584705.db2.gz	LWDICYPHMUVAPK-DTORHVGOSA-N	-1	1	318.341	-1.285	20	0		DAADMM
O=C([C@H]1CCNC(=O)C1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001018708662	664588813	/nfs/dbraw/zinc/58/88/13/664588813.db2.gz	MQOFVQZCVUMSLT-IUCAKERBSA-N	-1	1	308.342	-1.273	20	0		DAADMM
Cn1oc(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)cc1=O	ZINC001018774149	664590030	/nfs/dbraw/zinc/59/00/30/664590030.db2.gz	BYCJJYJIISHYKV-ZETCQYMHSA-N	-1	1	308.298	-1.194	20	0		DAADMM
O=C([C@H]1CCCC(=O)N1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019012566	664593694	/nfs/dbraw/zinc/59/36/94/664593694.db2.gz	AXEDOTJMGVPXMO-DTWKUNHWSA-N	-1	1	308.342	-1.131	20	0		DAADMM
O=C(CN1CC(=O)NC1=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019527612	664602279	/nfs/dbraw/zinc/60/22/79/664602279.db2.gz	LSAVPWUGHUFLQN-ZETCQYMHSA-N	-1	1	323.313	-2.247	20	0		DAADMM
O=C(CCn1cnnn1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019556739	664602593	/nfs/dbraw/zinc/60/25/93/664602593.db2.gz	YGCUNORTOFUSFV-QMMMGPOBSA-N	-1	1	307.318	-1.722	20	0		DAADMM
Cn1ccc(CN[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1	ZINC001019710439	664603615	/nfs/dbraw/zinc/60/36/15/664603615.db2.gz	NXQBNUINTRGESU-JTQLQIEISA-N	-1	1	321.341	-1.187	20	0		DAADMM
C[C@@H](C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1)N1CCOCC1	ZINC001019892524	664606045	/nfs/dbraw/zinc/60/60/45/664606045.db2.gz	NQOXKJGEAJXCFN-QWRGUYRKSA-N	-1	1	324.385	-1.079	20	0		DAADMM
O=C(C[C@@H]1CC(=O)NC1=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019892655	664606087	/nfs/dbraw/zinc/60/60/87/664606087.db2.gz	SPMBPKVSXIHEDK-YUMQZZPRSA-N	-1	1	322.325	-1.746	20	0		DAADMM
Cn1cnc(C(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)c1	ZINC001038163609	664612326	/nfs/dbraw/zinc/61/23/26/664612326.db2.gz	KMNIZGHJTYAGLG-SECBINFHSA-N	-1	1	305.342	-1.154	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@@H]2CCC(=O)NC2)nc1=O	ZINC001038452782	664613245	/nfs/dbraw/zinc/61/32/45/664613245.db2.gz	SGBFJIFLZMZAOX-NXEZZACHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)nc1=O	ZINC001038598717	664614958	/nfs/dbraw/zinc/61/49/58/664614958.db2.gz	BRLDFXCKMYENBR-UXCLJVHYSA-N	-1	1	307.354	-1.309	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)nc1=O	ZINC001038653978	664615273	/nfs/dbraw/zinc/61/52/73/664615273.db2.gz	GCYWBDYSQYLCSC-HTQZYQBOSA-N	-1	1	309.330	-2.520	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)nc1=O	ZINC001038653981	664615520	/nfs/dbraw/zinc/61/55/20/664615520.db2.gz	GCYWBDYSQYLCSC-YUMQZZPRSA-N	-1	1	309.330	-2.520	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)nc1=O	ZINC001038704862	664616642	/nfs/dbraw/zinc/61/66/42/664616642.db2.gz	SDOBDNAPCMLBPJ-HLTSFMKQSA-N	-1	1	308.342	-2.080	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)[C@H]3CCCO3)[C@@H](O)C2)nc1=O	ZINC001083326371	677689813	/nfs/dbraw/zinc/68/98/13/677689813.db2.gz	BEPQPJQUHVPGPG-KXUCPTDWSA-N	-1	1	311.342	-2.051	20	0		DAADMM
Cn1ccc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)c1	ZINC001076880529	677764256	/nfs/dbraw/zinc/76/42/56/677764256.db2.gz	OTIWBUHRPKOXMF-GHMZBOCLSA-N	-1	1	320.353	-1.578	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC(=O)NC(C)C	ZINC000912528024	677818410	/nfs/dbraw/zinc/81/84/10/677818410.db2.gz	MATMEBMRWQXBCF-UHFFFAOYSA-N	-1	1	304.328	-1.001	20	0		DAADMM
C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1nnc[nH]1	ZINC001080750885	678040958	/nfs/dbraw/zinc/04/09/58/678040958.db2.gz	UXBMGBBRBYNQRL-HTQZYQBOSA-N	-1	1	306.330	-1.192	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082611553	678118454	/nfs/dbraw/zinc/11/84/54/678118454.db2.gz	MJZVIFSFNZAFHZ-OPRDCNLKSA-N	-1	1	322.369	-1.027	20	0		DAADMM
C[C@H](NC(=O)c1cnnn1C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000969599790	677681283	/nfs/dbraw/zinc/68/12/83/677681283.db2.gz	RXWSEYOZIKKTMM-QMMMGPOBSA-N	-1	1	320.357	-1.513	20	0		DAADMM
Cc1ccc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)o1	ZINC001083325531	677689538	/nfs/dbraw/zinc/68/95/38/677689538.db2.gz	NEEYDKDAADAPNS-ZJUUUORDSA-N	-1	1	321.337	-1.015	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)[C@@H]3CCOC3)[C@@H](O)C2)nc1=O	ZINC001083361560	677691614	/nfs/dbraw/zinc/69/16/14/677691614.db2.gz	UPUGRLMQVPZEJM-BBBLOLIVSA-N	-1	1	311.342	-2.194	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)C3=COCCC3)[C@@H](O)C2)nc1=O	ZINC001083367200	677691818	/nfs/dbraw/zinc/69/18/18/677691818.db2.gz	UVEXOWYVLUDZQD-MNOVXSKESA-N	-1	1	323.353	-1.536	20	0		DAADMM
Cn1nccc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001083366046	677691868	/nfs/dbraw/zinc/69/18/68/677691868.db2.gz	PIQITRAJGKXILD-SCZZXKLOSA-N	-1	1	321.341	-2.183	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)CC3CCC3)[C@@H](O)C2)nc1=O	ZINC001083383784	677692911	/nfs/dbraw/zinc/69/29/11/677692911.db2.gz	WKMJYWWBTKGYLV-MNOVXSKESA-N	-1	1	309.370	-1.040	20	0		DAADMM
CN(C)C(=O)CN1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC001083423353	677700770	/nfs/dbraw/zinc/70/07/70/677700770.db2.gz	QUEHXXXDUCUIIU-KOLCDFICSA-N	-1	1	308.338	-1.350	20	0		DAADMM
Cn1ncnc1CN1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC001083423198	677700787	/nfs/dbraw/zinc/70/07/87/677700787.db2.gz	JRXUBBUOHFMOMJ-KOLCDFICSA-N	-1	1	318.337	-1.109	20	0		DAADMM
O=C(N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@@H]1O)c1ncccc1[O-]	ZINC001083423238	677700865	/nfs/dbraw/zinc/70/08/65/677700865.db2.gz	LXAWKQHZYQUHKG-FOGDFJRCSA-N	-1	1	320.349	-1.159	20	0		DAADMM
CC[C@@H](C(N)=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC001083423434	677700947	/nfs/dbraw/zinc/70/09/47/677700947.db2.gz	VWHAJVFVLURMCQ-YWVKMMECSA-N	-1	1	308.338	-1.174	20	0		DAADMM
C[C@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)Cc1nnc[nH]1	ZINC000987329371	677707211	/nfs/dbraw/zinc/70/72/11/677707211.db2.gz	NEKDNLXHUVGVEN-JGVFFNPUSA-N	-1	1	306.330	-1.050	20	0		DAADMM
C[C@@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)Cc1nnc[nH]1	ZINC000987329372	677707231	/nfs/dbraw/zinc/70/72/31/677707231.db2.gz	NEKDNLXHUVGVEN-SFYZADRCSA-N	-1	1	306.330	-1.050	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3ncc[nH]3)[C@@H](O)C2)nc1=O	ZINC001083447716	677716484	/nfs/dbraw/zinc/71/64/84/677716484.db2.gz	FMHQANKUGOPPAG-SFYZADRCSA-N	-1	1	307.314	-2.193	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](NC(=O)c2cnn[nH]2)C1	ZINC000938238854	677745243	/nfs/dbraw/zinc/74/52/43/677745243.db2.gz	VLVIINHHGISWFM-LURJTMIESA-N	-1	1	322.285	-2.162	20	0		DAADMM
O=C(N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1cnn[nH]1	ZINC000938238471	677746057	/nfs/dbraw/zinc/74/60/57/677746057.db2.gz	MDJYOKFXGCDYSX-YFKPBYRVSA-N	-1	1	320.269	-1.955	20	0		DAADMM
Cc1occc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001076725117	677752494	/nfs/dbraw/zinc/75/24/94/677752494.db2.gz	ZEOTUKBSHOYFIV-GHMZBOCLSA-N	-1	1	321.337	-1.015	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3ccoc3)C2)nc1=O	ZINC001076741979	677753540	/nfs/dbraw/zinc/75/35/40/677753540.db2.gz	XJWCENZLRAFNIZ-NXEZZACHSA-N	-1	1	307.310	-1.324	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C3=COCCC3)C2)nc1=O	ZINC001076790853	677757149	/nfs/dbraw/zinc/75/71/49/677757149.db2.gz	UVEXOWYVLUDZQD-GHMZBOCLSA-N	-1	1	323.353	-1.536	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C=C3CCC3)C2)nc1=O	ZINC001076867679	677763862	/nfs/dbraw/zinc/76/38/62/677763862.db2.gz	DDZOWLLZAHTJOQ-GHMZBOCLSA-N	-1	1	307.354	-1.120	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3(C)C)C2)nc1=O	ZINC001076895637	677766086	/nfs/dbraw/zinc/76/60/86/677766086.db2.gz	QMHAZFKEPMNFGN-IVZWLZJFSA-N	-1	1	309.370	-1.184	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3cncnc3)C2)nc1=O	ZINC001076914118	677769083	/nfs/dbraw/zinc/76/90/83/677769083.db2.gz	FTVGRWIDDKRIMR-NXEZZACHSA-N	-1	1	319.325	-2.127	20	0		DAADMM
Cn1nnc(CN2C[C@@H](O)[C@H](NC(=O)c3ncccc3[O-])C2)n1	ZINC001076916409	677769382	/nfs/dbraw/zinc/76/93/82/677769382.db2.gz	JPKBAZPAEYYPNF-PSASIEDQSA-N	-1	1	319.325	-1.714	20	0		DAADMM
CN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)c3ncccc3[O-])C2)C1=O	ZINC001076917042	677769578	/nfs/dbraw/zinc/76/95/78/677769578.db2.gz	NWBNAVGUWSEXDW-JFGNBEQYSA-N	-1	1	320.349	-1.207	20	0		DAADMM
Cc1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)co1	ZINC001076928500	677770248	/nfs/dbraw/zinc/77/02/48/677770248.db2.gz	WWIWVMNWHDRRHX-GHMZBOCLSA-N	-1	1	321.337	-1.015	20	0		DAADMM
Cn1cnc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)n1	ZINC001076963560	677774006	/nfs/dbraw/zinc/77/40/06/677774006.db2.gz	SGVGODUDVFRNRA-HTQZYQBOSA-N	-1	1	322.329	-2.788	20	0		DAADMM
CN1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O	ZINC001077236347	677792999	/nfs/dbraw/zinc/79/29/99/677792999.db2.gz	JGBUYYAXKCXPML-OUAUKWLOSA-N	-1	1	324.385	-1.344	20	0		DAADMM
COC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001077310919	677798662	/nfs/dbraw/zinc/79/86/62/677798662.db2.gz	IFDDJTGFNUBLBJ-BWZBUEFSSA-N	-1	1	313.314	-1.907	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@]34C[C@H]3CCC4)C2)nc1=O	ZINC001077416560	677803906	/nfs/dbraw/zinc/80/39/06/677803906.db2.gz	XDSFGRLXGPIEEZ-UYUMYWFVSA-N	-1	1	321.381	-1.040	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3cc(F)c[nH]3)C2)nc1=O	ZINC001077404678	677803987	/nfs/dbraw/zinc/80/39/87/677803987.db2.gz	LMFOQXVZPDLRAW-NXEZZACHSA-N	-1	1	324.316	-1.449	20	0		DAADMM
CO[C@H](C)CN1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1	ZINC001083606592	677810753	/nfs/dbraw/zinc/81/07/53/677810753.db2.gz	GGZHGWRWWKNFAX-PRJMDXOYSA-N	-1	1	313.314	-1.907	20	0		DAADMM
C[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1	ZINC001077498362	677832533	/nfs/dbraw/zinc/83/25/33/677832533.db2.gz	GLWXPARSYNRPHS-FXBDTBDDSA-N	-1	1	312.326	-2.358	20	0		DAADMM
C[C@H](O)CN1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](O)C1	ZINC001083693378	677836868	/nfs/dbraw/zinc/83/68/68/677836868.db2.gz	GLWXPARSYNRPHS-SFGNSQDASA-N	-1	1	312.326	-2.358	20	0		DAADMM
COC(=O)[C@H](CO)NS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2	ZINC000914327551	677844959	/nfs/dbraw/zinc/84/49/59/677844959.db2.gz	OOXJDVMUARSRFM-JQWIXIFHSA-N	-1	1	306.384	-1.074	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C3CC4(CC4)C3)C2)nc1=O	ZINC001077646687	677871554	/nfs/dbraw/zinc/87/15/54/677871554.db2.gz	LSJSAQATSYFUPO-GHMZBOCLSA-N	-1	1	321.381	-1.040	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3ccnnc3)C2)nc1=O	ZINC001077727297	677876117	/nfs/dbraw/zinc/87/61/17/677876117.db2.gz	UGPRNCYPLQTOON-NXEZZACHSA-N	-1	1	319.325	-2.127	20	0		DAADMM
O=C(Cc1cnc[nH]1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O	ZINC001077743623	677878672	/nfs/dbraw/zinc/87/86/72/677878672.db2.gz	HBONGXXURYSCBV-RKDXNWHRSA-N	-1	1	307.314	-1.863	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC34CCC4)C2)nc1=O	ZINC001077750518	677878976	/nfs/dbraw/zinc/87/89/76/677878976.db2.gz	KMZKTTUTBYAXLO-HBNTYKKESA-N	-1	1	321.381	-1.040	20	0		DAADMM
CC(C)N1C[C@@H](O)[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001077854286	677894399	/nfs/dbraw/zinc/89/43/99/677894399.db2.gz	BXBMWCDWTCUBGM-GHMZBOCLSA-N	-1	1	320.353	-1.359	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3nccs3)C2)nc1=O	ZINC001077884134	677894711	/nfs/dbraw/zinc/89/47/11/677894711.db2.gz	AJHYBWXDPVCZPP-HTQZYQBOSA-N	-1	1	324.366	-1.460	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)Cc3ncc[nH]3)C2)nc1=O	ZINC001077899345	677897703	/nfs/dbraw/zinc/89/77/03/677897703.db2.gz	BREXGMJFHVDDME-RKDXNWHRSA-N	-1	1	321.341	-2.265	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)Cc3nc[nH]n3)C2)nc1=O	ZINC001077975523	677901936	/nfs/dbraw/zinc/90/19/36/677901936.db2.gz	PHKADEXAWQWKGT-HTQZYQBOSA-N	-1	1	322.329	-2.870	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(CCF)C[C@H]1O	ZINC001077997156	677903363	/nfs/dbraw/zinc/90/33/63/677903363.db2.gz	RZMLRZSPMWBJKH-RNFRBKRXSA-N	-1	1	316.289	-1.359	20	0		DAADMM
O=C(N[C@@H]1CN(CCF)C[C@H]1O)c1cc(=O)n2[n-]cnc2n1	ZINC001077999748	677903653	/nfs/dbraw/zinc/90/36/53/677903653.db2.gz	YJWMOCFUFQZWMS-RKDXNWHRSA-N	-1	1	310.289	-1.838	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)Cn3cncn3)C2)nc1=O	ZINC001078141012	677913440	/nfs/dbraw/zinc/91/34/40/677913440.db2.gz	IUMCWYDMFAGLNT-RKDXNWHRSA-N	-1	1	322.329	-2.939	20	0		DAADMM
O=C(c1cnon1)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001078488861	677927088	/nfs/dbraw/zinc/92/70/88/677927088.db2.gz	KTLJSNUGANZBRR-MRVPVSSYSA-N	-1	1	323.313	-1.086	20	0		DAADMM
CC(=O)N1CCOC[C@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001061706282	677962109	/nfs/dbraw/zinc/96/21/09/677962109.db2.gz	HZWKDMINOJKMRN-LLVKDONJSA-N	-1	1	324.337	-1.710	20	0		DAADMM
O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1nnc[nH]1	ZINC001035551829	677973320	/nfs/dbraw/zinc/97/33/20/677973320.db2.gz	PPTFJHWKGYKGFB-ZETCQYMHSA-N	-1	1	308.302	-1.741	20	0		DAADMM
O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1ncn[nH]1	ZINC001035551829	677973321	/nfs/dbraw/zinc/97/33/21/677973321.db2.gz	PPTFJHWKGYKGFB-ZETCQYMHSA-N	-1	1	308.302	-1.741	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1	ZINC001079642877	678024639	/nfs/dbraw/zinc/02/46/39/678024639.db2.gz	PSGWWUZRZUXFAC-HLTSFMKQSA-N	-1	1	324.341	-1.847	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1CCNC1=O	ZINC001080259699	678033362	/nfs/dbraw/zinc/03/33/62/678033362.db2.gz	JBMXLQPVVIBIKQ-OPRDCNLKSA-N	-1	1	322.369	-1.819	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1	ZINC001080361251	678034411	/nfs/dbraw/zinc/03/44/11/678034411.db2.gz	YEWSRKHLNSXEIX-IWSPIJDZSA-N	-1	1	323.357	-2.274	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1cnn(C)n1	ZINC001080614121	678038339	/nfs/dbraw/zinc/03/83/39/678038339.db2.gz	BKQYBACESHLQQX-PSASIEDQSA-N	-1	1	320.357	-1.513	20	0		DAADMM
NC(=O)CC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC001081365262	678069335	/nfs/dbraw/zinc/06/93/35/678069335.db2.gz	MJVZBBOAFFCNKL-WCBMZHEXSA-N	-1	1	322.321	-1.788	20	0		DAADMM
CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1cn[nH]c1	ZINC001081395839	678073186	/nfs/dbraw/zinc/07/31/86/678073186.db2.gz	JQHIBHHJJRKIST-NXEZZACHSA-N	-1	1	321.341	-1.539	20	0		DAADMM
CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001081601390	678089965	/nfs/dbraw/zinc/08/99/65/678089965.db2.gz	QPMSYWBGTFODAH-QWRGUYRKSA-N	-1	1	324.337	-2.118	20	0		DAADMM
NC(=O)C(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC001081713498	678097467	/nfs/dbraw/zinc/09/74/67/678097467.db2.gz	LSFCMIDPWUOOPA-IONNQARKSA-N	-1	1	308.294	-2.178	20	0		DAADMM
CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnn[nH]1	ZINC001081882602	678107037	/nfs/dbraw/zinc/10/70/37/678107037.db2.gz	YIAYMIYMGDXYMT-HTQZYQBOSA-N	-1	1	308.302	-1.742	20	0		DAADMM
CO[C@@H]1CN(CCO)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001082346381	678115421	/nfs/dbraw/zinc/11/54/21/678115421.db2.gz	FYEOBSCDEYQWFG-HTQZYQBOSA-N	-1	1	301.303	-2.503	20	0		DAADMM
CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)CN1CCCC1	ZINC001082371029	678116117	/nfs/dbraw/zinc/11/61/17/678116117.db2.gz	OUOOOZZDNFKZQP-GHMZBOCLSA-N	-1	1	324.385	-1.079	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082482867	678117777	/nfs/dbraw/zinc/11/77/77/678117777.db2.gz	XCGQCGGRFIIFHO-MXWKQRLJSA-N	-1	1	324.385	-1.223	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082714099	678119315	/nfs/dbraw/zinc/11/93/15/678119315.db2.gz	VTDCTNJISOUGST-GJMOJQLCSA-N	-1	1	309.330	-1.872	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)nc1=O	ZINC001083179059	678125386	/nfs/dbraw/zinc/12/53/86/678125386.db2.gz	CMHNSGIMIMLIIP-JGVFFNPUSA-N	-1	1	310.314	-2.995	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)nc1=O	ZINC001074327745	678191303	/nfs/dbraw/zinc/19/13/03/678191303.db2.gz	YVIHDNCLQUKXNJ-DTWKUNHWSA-N	-1	1	324.341	-2.605	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@@H]3CCN(C(=O)C(N)=O)C[C@H]32)nc1=O	ZINC001074327747	678191316	/nfs/dbraw/zinc/19/13/16/678191316.db2.gz	YVIHDNCLQUKXNJ-RKDXNWHRSA-N	-1	1	324.341	-2.605	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)[C@H]1CNC(=O)N1	ZINC001074844441	678205510	/nfs/dbraw/zinc/20/55/10/678205510.db2.gz	CKPRBFFZTUAKRE-BIIVOSGPSA-N	-1	1	309.330	-1.729	20	0		DAADMM
CNC(=O)CN1CC[C@@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001038919678	678220902	/nfs/dbraw/zinc/22/09/02/678220902.db2.gz	FAIRACKHRLHCQS-MRVPVSSYSA-N	-1	1	319.325	-2.032	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CCN1CC(N)=O	ZINC001038917184	678221290	/nfs/dbraw/zinc/22/12/90/678221290.db2.gz	NSGSYRBGUGURHC-LURJTMIESA-N	-1	1	311.298	-1.814	20	0		DAADMM
C[C@H](C(N)=O)N1CC[C@@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001038924154	678221314	/nfs/dbraw/zinc/22/13/14/678221314.db2.gz	XGHYMYIRODPVAF-HTQZYQBOSA-N	-1	1	319.325	-1.905	20	0		DAADMM
NC(=O)CC(=O)NCC1(O)CN(C(=O)c2ncccc2[O-])C1	ZINC001042213063	678319220	/nfs/dbraw/zinc/31/92/20/678319220.db2.gz	GFOWSVNIZQTWQT-UHFFFAOYSA-N	-1	1	308.294	-2.034	20	0		DAADMM
CN(C(=O)c1ccc(=O)[nH]n1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042435752	678328228	/nfs/dbraw/zinc/32/82/28/678328228.db2.gz	CHJWESVLKFVQFG-UHFFFAOYSA-N	-1	1	319.325	-1.440	20	0		DAADMM
CN(C(=O)c1cnsn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042511314	678329897	/nfs/dbraw/zinc/32/98/97/678329897.db2.gz	CSNDKTAEOXSVHY-UHFFFAOYSA-N	-1	1	309.355	-1.084	20	0		DAADMM
COC(=O)[C@@H]1C[C@H]1C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042535056	678331017	/nfs/dbraw/zinc/33/10/17/678331017.db2.gz	VBZUZAWVLKFQCJ-NXEZZACHSA-N	-1	1	323.353	-1.440	20	0		DAADMM
COC(=O)[C@H]1C[C@@H]1C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042535057	678331029	/nfs/dbraw/zinc/33/10/29/678331029.db2.gz	VBZUZAWVLKFQCJ-UWVGGRQHSA-N	-1	1	323.353	-1.440	20	0		DAADMM
CN(C(=O)Cc1cc[nH]n1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042563704	678332378	/nfs/dbraw/zinc/33/23/78/678332378.db2.gz	QSMKZLNLBNDCET-UHFFFAOYSA-N	-1	1	305.342	-1.283	20	0		DAADMM
Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)c3ccn[nH]3)C2)c1[O-]	ZINC001042573110	678332954	/nfs/dbraw/zinc/33/29/54/678332954.db2.gz	WUYZQLGDBHPDNH-UHFFFAOYSA-N	-1	1	320.309	-1.236	20	0		DAADMM
CN(C(=O)[C@@H]1CN(C)CCO1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042573865	678333309	/nfs/dbraw/zinc/33/33/09/678333309.db2.gz	WKXDCSPNTPOPMA-NSHDSACASA-N	-1	1	324.385	-1.918	20	0		DAADMM
CN(C(=O)CN1CN=NC1=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042638501	678334872	/nfs/dbraw/zinc/33/48/72/678334872.db2.gz	KSWPXFKURRYPBV-UHFFFAOYSA-N	-1	1	322.329	-2.252	20	0		DAADMM
CN(C(=O)[C@H]1CCC(=O)NC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043190425	678371164	/nfs/dbraw/zinc/37/11/64/678371164.db2.gz	LBBGUUJVNDWQKF-VIFPVBQESA-N	-1	1	322.369	-1.723	20	0		DAADMM
Cc1nc(CN2CC(N(C)C(=O)c3n[nH]c(=O)[n-]c3=O)C2)n[nH]1	ZINC001043231111	678373667	/nfs/dbraw/zinc/37/36/67/678373667.db2.gz	RRIFIYIBXMJNJH-UHFFFAOYSA-N	-1	1	320.313	-1.334	20	0		DAADMM
Cc1n[nH]nc1C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043506457	678382943	/nfs/dbraw/zinc/38/29/43/678382943.db2.gz	AZYAQEPVZGLWAF-UHFFFAOYSA-N	-1	1	306.330	-1.509	20	0		DAADMM
CN(C(=O)[C@H]1CC[C@H]1C(N)=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043516196	678383320	/nfs/dbraw/zinc/38/33/20/678383320.db2.gz	HTYAJQRDUOBUNP-ZJUUUORDSA-N	-1	1	322.369	-1.738	20	0		DAADMM
CN(C(=O)[C@H]1CN(C)C(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043536297	678384852	/nfs/dbraw/zinc/38/48/52/678384852.db2.gz	JWFZYZNMNWOGHJ-SECBINFHSA-N	-1	1	323.357	-2.225	20	0		DAADMM
CN(C(=O)[C@H]1CNC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043708855	678390071	/nfs/dbraw/zinc/39/00/71/678390071.db2.gz	JCDLKBCVQWSMDM-MRVPVSSYSA-N	-1	1	309.330	-2.568	20	0		DAADMM
CN(C(=O)C1=NC(=O)N(C)C1)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001043749678	678393394	/nfs/dbraw/zinc/39/33/94/678393394.db2.gz	IXZXFMUIPCHYOB-UHFFFAOYSA-N	-1	1	307.314	-1.094	20	0		DAADMM
CN(C(=O)c1cn(C)c(=O)[nH]1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043751140	678393622	/nfs/dbraw/zinc/39/36/22/678393622.db2.gz	XBPXYEWJGFDCOM-UHFFFAOYSA-N	-1	1	321.341	-1.496	20	0		DAADMM
CN(C(=O)c1n[nH]cc1F)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043785271	678394967	/nfs/dbraw/zinc/39/49/67/678394967.db2.gz	WLCHRAOVEHNHDZ-UHFFFAOYSA-N	-1	1	309.305	-1.073	20	0		DAADMM
CCC(=O)N1CC(O)(CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001043991121	678408660	/nfs/dbraw/zinc/40/86/60/678408660.db2.gz	FGAMZBIBXHZNKF-UHFFFAOYSA-N	-1	1	320.309	-1.869	20	0		DAADMM
CN(C(=O)c1ccncn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001044065303	678411309	/nfs/dbraw/zinc/41/13/09/678411309.db2.gz	VEPXONFDNSIOOB-UHFFFAOYSA-N	-1	1	303.326	-1.145	20	0		DAADMM
CN(C(=O)c1cc(=O)n2[n-]cnc2n1)C1CN(CC(N)=O)C1	ZINC001044181569	678415013	/nfs/dbraw/zinc/41/50/13/678415013.db2.gz	BLWNHZWVQCGPBZ-UHFFFAOYSA-N	-1	1	305.298	-2.341	20	0		DAADMM
COCCN1CC(N(C)C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001044181116	678415246	/nfs/dbraw/zinc/41/52/46/678415246.db2.gz	WRMSOBHQUAXTFX-UHFFFAOYSA-N	-1	1	306.326	-1.180	20	0		DAADMM
CN(C(=O)Cc1cncn1C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001044185892	678415422	/nfs/dbraw/zinc/41/54/22/678415422.db2.gz	GOIJYUPRPWYVLO-UHFFFAOYSA-N	-1	1	319.369	-1.273	20	0		DAADMM
CN(C(=O)[C@@H]1CCC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001044206101	678415794	/nfs/dbraw/zinc/41/57/94/678415794.db2.gz	SVFPIMLYOUYJSG-VIFPVBQESA-N	-1	1	308.342	-1.970	20	0		DAADMM
Cc1nc(CN2CC(N(C)C(=O)Cn3c(=O)[n-][nH]c3=O)C2)n[nH]1	ZINC001044237086	678416315	/nfs/dbraw/zinc/41/63/15/678416315.db2.gz	VKWXKRALACEUGP-UHFFFAOYSA-N	-1	1	322.329	-1.541	20	0		DAADMM
Cc1nonc1C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001044368358	678421932	/nfs/dbraw/zinc/42/19/32/678421932.db2.gz	SKTXQPMGTPMNCF-UHFFFAOYSA-N	-1	1	307.314	-1.244	20	0		DAADMM
O=C([C@H]1COC(=O)N1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001045020306	678444464	/nfs/dbraw/zinc/44/44/64/678444464.db2.gz	LYERTSHKJILZOJ-JGVFFNPUSA-N	-1	1	310.314	-1.301	20	0		DAADMM
CN1C[C@H](C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)NC1=O	ZINC001045149536	678447281	/nfs/dbraw/zinc/44/72/81/678447281.db2.gz	HFEYGPNTNVJIHF-DTWKUNHWSA-N	-1	1	323.357	-1.386	20	0		DAADMM
O=C(Cc1nnc[nH]1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001045269345	678453144	/nfs/dbraw/zinc/45/31/44/678453144.db2.gz	CWDYTBJCIGMLHR-QMMMGPOBSA-N	-1	1	306.330	-1.048	20	0		DAADMM
C[C@@H](C(N)=O)N1CCC(C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001045492379	678459453	/nfs/dbraw/zinc/45/94/53/678459453.db2.gz	IURCOJRDGKMLES-ZETCQYMHSA-N	-1	1	324.341	-1.259	20	0		DAADMM
Cn1nncc1C(=O)N[C@@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001046285888	678480675	/nfs/dbraw/zinc/48/06/75/678480675.db2.gz	LNWIFJSCXCQUGC-ZDUSSCGKSA-N	-1	1	320.357	-1.369	20	0		DAADMM
Cn1cnc(C(=O)N[C@]2(C)CCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001046285921	678480729	/nfs/dbraw/zinc/48/07/29/678480729.db2.gz	MHCMQWZGCGPGIO-CYBMUJFWSA-N	-1	1	320.357	-1.369	20	0		DAADMM
CC[C@H](C(N)=O)N1CC[C@](C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001046453556	678483017	/nfs/dbraw/zinc/48/30/17/678483017.db2.gz	IIJBXVQNWGADDU-UHLUBPPHSA-N	-1	1	324.341	-1.259	20	0		DAADMM
Cn1ncc(C(=O)N[C@@]2(C)CCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001046698379	678488896	/nfs/dbraw/zinc/48/88/96/678488896.db2.gz	DJMIEXLXOVDJEW-ZDUSSCGKSA-N	-1	1	320.357	-1.369	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](C)(NC(=O)[C@@H]3CCC(=O)N3)C2)nc1=O	ZINC001046778343	678491256	/nfs/dbraw/zinc/49/12/56/678491256.db2.gz	DLSGJXQYHXHCMV-LKFCYVNXSA-N	-1	1	322.369	-1.532	20	0		DAADMM
CN(C(=O)c1cn[nH]c1)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001047313331	678506374	/nfs/dbraw/zinc/50/63/74/678506374.db2.gz	RQOQWVNMXRSSHX-UWVGGRQHSA-N	-1	1	321.341	-1.851	20	0		DAADMM
C[C@@H](C(N)=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2[O-])C1	ZINC001047357421	678510850	/nfs/dbraw/zinc/51/08/50/678510850.db2.gz	BKHQAPLYKUJWJA-QXEWZRGKSA-N	-1	1	308.338	-1.222	20	0		DAADMM
CNC(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2[O-])C1	ZINC001047358921	678510957	/nfs/dbraw/zinc/51/09/57/678510957.db2.gz	MLRFPJAFMHDHGO-ONGXEEELSA-N	-1	1	308.338	-1.350	20	0		DAADMM
C[C@H](O)CN1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001047444756	678520616	/nfs/dbraw/zinc/52/06/16/678520616.db2.gz	IEGBKCSVJILNCD-FXQIFTODSA-N	-1	1	313.314	-2.219	20	0		DAADMM
C[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001047484783	678524229	/nfs/dbraw/zinc/52/42/29/678524229.db2.gz	AFRDMJVDRKBZBL-ZNSHCXBVSA-N	-1	1	309.370	-1.232	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]3[C@H]2CCCN3C(=O)C(N)=O)nc1=O	ZINC001049690641	678584856	/nfs/dbraw/zinc/58/48/56/678584856.db2.gz	HQFCRAZZRJBTTM-RKDXNWHRSA-N	-1	1	308.342	-1.841	20	0		DAADMM
NC(=O)CN1CCC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1	ZINC001052899092	678590675	/nfs/dbraw/zinc/59/06/75/678590675.db2.gz	LTWQNGRETSQRIM-MRVPVSSYSA-N	-1	1	312.330	-1.855	20	0		DAADMM
Cn1[n-]c(CN2CC3(C2)CN(C(=O)C(N)=O)CCO3)nc1=O	ZINC001053404763	678603918	/nfs/dbraw/zinc/60/39/18/678603918.db2.gz	VMGUKFFEVYRAQM-UHFFFAOYSA-N	-1	1	310.314	-2.993	20	0		DAADMM
O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1cnn[nH]1	ZINC001053861490	678618700	/nfs/dbraw/zinc/61/87/00/678618700.db2.gz	LPENGKVLVGDJBZ-SSDOTTSWSA-N	-1	1	320.313	-1.598	20	0		DAADMM
Cn1[n-]c(CN2CC[C@]3(C2)CCCN(C(=O)C(N)=O)C3)nc1=O	ZINC001054188609	678629077	/nfs/dbraw/zinc/62/90/77/678629077.db2.gz	PGQNLLPGPHTSKN-AWEZNQCLSA-N	-1	1	322.369	-1.592	20	0		DAADMM
C[C@H]1CN(C(=O)CN2CCOCC2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054589438	678632514	/nfs/dbraw/zinc/63/25/14/678632514.db2.gz	YEHAMQCVQDGLCM-WDEREUQCSA-N	-1	1	324.385	-1.221	20	0		DAADMM
C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054620149	678632913	/nfs/dbraw/zinc/63/29/13/678632913.db2.gz	PKJMBHZKWQJQER-HTQZYQBOSA-N	-1	1	306.330	-1.111	20	0		DAADMM
C[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054695714	678634175	/nfs/dbraw/zinc/63/41/75/678634175.db2.gz	JUSWGBMZNJPJOJ-DTWKUNHWSA-N	-1	1	306.330	-1.262	20	0		DAADMM
C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054695716	678634285	/nfs/dbraw/zinc/63/42/85/678634285.db2.gz	JUSWGBMZNJPJOJ-RKDXNWHRSA-N	-1	1	306.330	-1.262	20	0		DAADMM
C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054770194	678635026	/nfs/dbraw/zinc/63/50/26/678635026.db2.gz	ZQZFPCSLJAWKEY-HTQZYQBOSA-N	-1	1	310.358	-1.042	20	0		DAADMM
C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001055017327	678637526	/nfs/dbraw/zinc/63/75/26/678637526.db2.gz	KEMUPKMCVMVEOG-APPZFPTMSA-N	-1	1	319.325	-1.156	20	0		DAADMM
O=C([C@@H]1CCC(=O)N1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001000733917	678681190	/nfs/dbraw/zinc/68/11/90/678681190.db2.gz	TXGHDBUSEIQHDW-IUCAKERBSA-N	-1	1	308.342	-1.131	20	0		DAADMM
CC(=O)NCC(=O)NCCN(CCO)C(=O)c1ncccc1[O-]	ZINC001057407900	678714962	/nfs/dbraw/zinc/71/49/62/678714962.db2.gz	LXIMBOARSNCQQL-UHFFFAOYSA-N	-1	1	324.337	-1.526	20	0		DAADMM
CN1CCC[C@@H]1C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001050848179	678732848	/nfs/dbraw/zinc/73/28/48/678732848.db2.gz	CSFCEXPBZYGIHY-GHMZBOCLSA-N	-1	1	324.385	-1.079	20	0		DAADMM
Cn1[n-]c(CN2CCOC[C@@H]2CNC(=O)c2ncc[nH]2)nc1=O	ZINC001050912134	678737141	/nfs/dbraw/zinc/73/71/41/678737141.db2.gz	ZUCNJMXWIFIJHW-VIFPVBQESA-N	-1	1	321.341	-1.538	20	0		DAADMM
Cn1[n-]c(CN2CCOC[C@@H]2CNC(=O)c2cnon2)nc1=O	ZINC001051178835	678749272	/nfs/dbraw/zinc/74/92/72/678749272.db2.gz	LULLJOBMFVZRCI-QMMMGPOBSA-N	-1	1	323.313	-1.878	20	0		DAADMM
O=C(NC[C@@H]1COCCN1CCO)c1cc(=O)n2[n-]cnc2n1	ZINC001051209668	678750187	/nfs/dbraw/zinc/75/01/87/678750187.db2.gz	LWTZOSPFWODCKQ-SECBINFHSA-N	-1	1	322.325	-2.160	20	0		DAADMM
Cn1cc(C(=O)N2CCO[C@H](CNCc3n[nH]c(=O)[n-]3)C2)cn1	ZINC001051425201	678755485	/nfs/dbraw/zinc/75/54/85/678755485.db2.gz	ZCTMGEATUIFGTB-SNVBAGLBSA-N	-1	1	321.341	-1.125	20	0		DAADMM
O=C([C@@H]1CCOC1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051483185	678758409	/nfs/dbraw/zinc/75/84/09/678758409.db2.gz	QULYCWASMVKXJM-ZJUUUORDSA-N	-1	1	311.342	-1.136	20	0		DAADMM
Cn1cc(C(=O)N2CCO[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)nn1	ZINC001051595692	678763058	/nfs/dbraw/zinc/76/30/58/678763058.db2.gz	YHNQFRUPFSSBHI-QMMMGPOBSA-N	-1	1	322.329	-1.730	20	0		DAADMM
O=C(Cn1ncnn1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051613999	678763427	/nfs/dbraw/zinc/76/34/27/678763427.db2.gz	GTRHLDLRAJQWLB-MRVPVSSYSA-N	-1	1	323.317	-2.486	20	0		DAADMM
O=C(c1cn[nH]n1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051697027	678766611	/nfs/dbraw/zinc/76/66/11/678766611.db2.gz	FRDIEUZCEMMSKB-ZETCQYMHSA-N	-1	1	308.302	-1.741	20	0		DAADMM
Cc1n[nH]nc1C(=O)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051749438	678768912	/nfs/dbraw/zinc/76/89/12/678768912.db2.gz	FTICWIAMWXQXFO-QMMMGPOBSA-N	-1	1	322.329	-1.432	20	0		DAADMM
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051826490	678775066	/nfs/dbraw/zinc/77/50/66/678775066.db2.gz	CTYTVUKDGLWJDL-YIZRAAEISA-N	-1	1	324.341	-2.051	20	0		DAADMM
O=C(c1ccnnc1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051843570	678775942	/nfs/dbraw/zinc/77/59/42/678775942.db2.gz	ORFDROCGDXJDKI-SNVBAGLBSA-N	-1	1	319.325	-1.069	20	0		DAADMM
O=C([C@@H]1CCC(=O)N1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051907574	678779080	/nfs/dbraw/zinc/77/90/80/678779080.db2.gz	YPKMRICATKOFLJ-IUCAKERBSA-N	-1	1	324.341	-1.894	20	0		DAADMM
Cc1nonc1C(=O)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051951755	678781416	/nfs/dbraw/zinc/78/14/16/678781416.db2.gz	OFSUXEAQWIBVLT-MRVPVSSYSA-N	-1	1	323.313	-1.167	20	0		DAADMM
CNC(=O)CN1CCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001052528497	678792201	/nfs/dbraw/zinc/79/22/01/678792201.db2.gz	LYWNLAXKXGVAJV-QMMMGPOBSA-N	-1	1	324.341	-1.387	20	0		DAADMM
CC(=O)NCCN(CCO)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001058102250	678808001	/nfs/dbraw/zinc/80/80/01/678808001.db2.gz	XNAOVBVQMOXFBM-UHFFFAOYSA-N	-1	1	312.326	-2.116	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(CCO)CCNC(C)=O	ZINC001058152753	678808839	/nfs/dbraw/zinc/80/88/39/678808839.db2.gz	AWIWCJKOHODNLZ-UHFFFAOYSA-N	-1	1	314.298	-1.533	20	0		DAADMM
O=C(NCCN(CCO)C(=O)c1nc[nH]n1)c1ncccc1[O-]	ZINC001058378459	678817492	/nfs/dbraw/zinc/81/74/92/678817492.db2.gz	AGKCEQIUNHEIFD-UHFFFAOYSA-N	-1	1	320.309	-1.230	20	0		DAADMM
CCC(=O)N1C[C@@H](NCc2nc(=O)n(C)[n-]2)[C@@H](n2ccnn2)C1	ZINC001070120444	678855425	/nfs/dbraw/zinc/85/54/25/678855425.db2.gz	PTKBFHSIIFSWQZ-ZJUUUORDSA-N	-1	1	320.357	-1.348	20	0		DAADMM
Cc1noc([N-]C(=O)c2ncn3c2nnn(C)c3=O)c1C(N)=O	ZINC001152747822	782194906	/nfs/dbraw/zinc/19/49/06/782194906.db2.gz	WZUAXDJFTARDGQ-UHFFFAOYSA-N	-1	1	318.253	-1.529	20	0		DAADMM
NC(=O)NCC(=O)N[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C12CCC2	ZINC001202426714	782233493	/nfs/dbraw/zinc/23/34/93/782233493.db2.gz	CDMYCVARZKOLGE-YUMQZZPRSA-N	-1	1	323.357	-1.304	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)CC(N)=O)C(C)(C)C2)nc1=O	ZINC001274426589	782276812	/nfs/dbraw/zinc/27/68/12/782276812.db2.gz	SXRMRZPAEOAVTK-VIFPVBQESA-N	-1	1	324.385	-1.300	20	0		DAADMM
COCCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001099619683	782454878	/nfs/dbraw/zinc/45/48/78/782454878.db2.gz	CKXQCOPXEBJCAV-VHSXEESVSA-N	-1	1	313.358	-1.804	20	0		DAADMM
C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)C1(C(N)=O)CC1	ZINC001102309034	782615464	/nfs/dbraw/zinc/61/54/64/782615464.db2.gz	LJXWLXGBDBIHSH-RKDXNWHRSA-N	-1	1	322.369	-1.040	20	0		DAADMM
C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1CCNCc1n[nH]c(=O)[n-]1	ZINC001104021367	782629766	/nfs/dbraw/zinc/62/97/66/782629766.db2.gz	XHKJEEBHSNEESB-RKDXNWHRSA-N	-1	1	310.358	-1.040	20	0		DAADMM
CCc1nncn1CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001116176638	782658726	/nfs/dbraw/zinc/65/87/26/782658726.db2.gz	BZLASZAGUBZDMU-UHFFFAOYSA-N	-1	1	306.326	-1.103	20	0		DAADMM
CCS(=O)(=O)C[C@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001116056013	782656117	/nfs/dbraw/zinc/65/61/17/782656117.db2.gz	YHSBALNYGUQJDD-VIFPVBQESA-N	-1	1	317.367	-1.134	20	0		DAADMM
CN1C(=S)N=NC1CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001116056191	782656342	/nfs/dbraw/zinc/65/63/42/782656342.db2.gz	VYYZNCPOYGIKNA-UHFFFAOYSA-N	-1	1	324.366	-1.297	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCCN1C(=O)CNC1=O	ZINC001116049981	782656382	/nfs/dbraw/zinc/65/63/82/782656382.db2.gz	AVKPLJPHVVGRPZ-UHFFFAOYSA-N	-1	1	323.309	-2.015	20	0		DAADMM
CCOCCS(=O)(=O)NCC(=O)OCc1nc(=O)n(C)[n-]1	ZINC001116603508	782663935	/nfs/dbraw/zinc/66/39/35/782663935.db2.gz	DGOREONAHXXVKZ-UHFFFAOYSA-N	-1	1	322.343	-1.893	20	0		DAADMM
Cn1nnc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1	ZINC001116819875	782667244	/nfs/dbraw/zinc/66/72/44/782667244.db2.gz	ZNGDOODRKIMJJT-UHFFFAOYSA-N	-1	1	315.315	-2.914	20	0		DAADMM
COCCN(C)CCNC(=O)C(=O)[N-]OC[C@@H]1CCOC1	ZINC001117151998	782677676	/nfs/dbraw/zinc/67/76/76/782677676.db2.gz	BKJCTLPUQPHPOK-LLVKDONJSA-N	-1	1	303.359	-1.235	20	0		DAADMM
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NN1CC(=O)[N-]C1=O	ZINC001117783428	782700390	/nfs/dbraw/zinc/70/03/90/782700390.db2.gz	IDOBPVFKIBYBHF-OCAPTIKFSA-N	-1	1	306.278	-1.479	20	0		DAADMM
Cn1cnc([N-]C(=O)c2nc(N)nc(N3CCOCC3)n2)n1	ZINC001118251777	782709573	/nfs/dbraw/zinc/70/95/73/782709573.db2.gz	VGEIZLQHVOVXGH-UHFFFAOYSA-N	-1	1	305.302	-1.329	20	0		DAADMM
C[C@H](C(N)=O)N(C)CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001266340458	775133811	/nfs/dbraw/zinc/13/38/11/775133811.db2.gz	ZGZJRIQIKMPHDI-SECBINFHSA-N	-1	1	311.342	-2.152	20	0		DAADMM
C[C@@H](C(=O)N(C)CCNCc1n[nH]c(=O)[n-]1)N1C(=O)CCC1=O	ZINC001266718151	775173797	/nfs/dbraw/zinc/17/37/97/775173797.db2.gz	DEKNPYBRESXRTP-QMMMGPOBSA-N	-1	1	324.341	-1.404	20	0		DAADMM
CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)C(=O)[O-]	ZINC001143420351	775195038	/nfs/dbraw/zinc/19/50/38/775195038.db2.gz	UWYIRZZGWDFSDS-UHFFFAOYSA-N	-1	1	303.296	-1.307	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H](NC(=O)C3(C(N)=O)CC3)C2)nc1=O	ZINC001267629767	775259748	/nfs/dbraw/zinc/25/97/48/775259748.db2.gz	JLVTZQCVEJHGGZ-VIFPVBQESA-N	-1	1	322.369	-1.546	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)CCCCC(N)=O)C2)nc1=O	ZINC001267750907	775276428	/nfs/dbraw/zinc/27/64/28/775276428.db2.gz	RBWWTUIBJVQIQG-SNVBAGLBSA-N	-1	1	324.385	-1.155	20	0		DAADMM
CCOCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC	ZINC001211801914	775394170	/nfs/dbraw/zinc/39/41/70/775394170.db2.gz	BXEJRAUKRIAMFO-NXEZZACHSA-N	-1	1	313.358	-1.540	20	0		DAADMM
C[C@@]1(C(=O)N(CCO)CCNCc2n[nH]c(=O)[n-]2)CCOC1	ZINC001279869703	775410202	/nfs/dbraw/zinc/41/02/02/775410202.db2.gz	SWWUEAWIYTYQGN-CYBMUJFWSA-N	-1	1	313.358	-1.153	20	0		DAADMM
CCNC(=O)CC(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001268822066	775423615	/nfs/dbraw/zinc/42/36/15/775423615.db2.gz	CSHKVXOSCREECU-UHFFFAOYSA-N	-1	1	310.358	-1.817	20	0		DAADMM
C[C@@H](C(N)=O)N1CC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001269177944	775446232	/nfs/dbraw/zinc/44/62/32/775446232.db2.gz	VHMPHLMDUAWYNP-VHSXEESVSA-N	-1	1	323.353	-2.009	20	0		DAADMM
CN(C(=O)CCn1cc[n-]c(=O)c1=O)[C@@H]1CCN(CC(N)=O)C1	ZINC001269280216	775455553	/nfs/dbraw/zinc/45/55/53/775455553.db2.gz	INOVJPGEKVMWAF-SNVBAGLBSA-N	-1	1	323.353	-2.055	20	0		DAADMM
C[C@H](C(N)=O)N1CC[C@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001269321175	775460606	/nfs/dbraw/zinc/46/06/06/775460606.db2.gz	PYXAHQPXUPUKFD-ZJUUUORDSA-N	-1	1	323.353	-2.009	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC[C@]2(CCN(C3COC3)C2=O)C1	ZINC001269577142	775473068	/nfs/dbraw/zinc/47/30/68/775473068.db2.gz	FMDIUPYDUXWLCB-ZDUSSCGKSA-N	-1	1	306.326	-1.408	20	0		DAADMM
CCCCN1CC2(CN(C(=O)Cc3nn[n-]n3)C2)OCC1=O	ZINC001269576423	775473082	/nfs/dbraw/zinc/47/30/82/775473082.db2.gz	LJJLVAGYWQSKBI-UHFFFAOYSA-N	-1	1	308.342	-1.018	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC2(C1)COCC(=O)N2CC(F)F	ZINC001269577170	775473294	/nfs/dbraw/zinc/47/32/94/775473294.db2.gz	GHRUNXVFTCHJEQ-UHFFFAOYSA-N	-1	1	316.268	-1.553	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CCC2(C[C@H]2C(=O)NC2COC2)CC1	ZINC001269577118	775473566	/nfs/dbraw/zinc/47/35/66/775473566.db2.gz	FAFRMFUWXAITAW-JTQLQIEISA-N	-1	1	320.353	-1.114	20	0		DAADMM
CN(C)C(=O)CN1CCO[C@H]2CN(C(=O)Cc3nn[n-]n3)C[C@H]21	ZINC001270182405	775485118	/nfs/dbraw/zinc/48/51/18/775485118.db2.gz	DNSZUIRRDKOVTA-ZJUUUORDSA-N	-1	1	323.357	-2.258	20	0		DAADMM
CN(C)C(=O)CN1CC2(C1)CCN(C(=O)Cc1nn[n-]n1)CC2	ZINC001270183384	775486355	/nfs/dbraw/zinc/48/63/55/775486355.db2.gz	VDRBDYMXSAQVJR-UHFFFAOYSA-N	-1	1	321.385	-1.245	20	0		DAADMM
COCCOCN1C[C@H]2C[C@@H](C1)N(C(=O)Cc1nn[n-]n1)C2	ZINC001270182529	775486443	/nfs/dbraw/zinc/48/64/43/775486443.db2.gz	IFGCVDRGDCPZQN-MNOVXSKESA-N	-1	1	310.358	-1.105	20	0		DAADMM
COCCOCN1CCC2(CN(C(=O)Cc3nn[n-]n3)C2)C1	ZINC001270183481	775486943	/nfs/dbraw/zinc/48/69/43/775486943.db2.gz	XFLBNIHEIAHFML-UHFFFAOYSA-N	-1	1	310.358	-1.103	20	0		DAADMM
COCCOCN1C[C@@H]2CCN(C(=O)Cc3nn[n-]n3)[C@@H]2C1	ZINC001270182519	775486998	/nfs/dbraw/zinc/48/69/98/775486998.db2.gz	HTWDAFYKUCQACX-WDEREUQCSA-N	-1	1	310.358	-1.105	20	0		DAADMM
CCNC(=O)CC(=O)N[C@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001270576916	775497392	/nfs/dbraw/zinc/49/73/92/775497392.db2.gz	NQHCWHTWHBXTOS-CQSZACIVSA-N	-1	1	324.385	-1.285	20	0		DAADMM
CN(C)C(=O)CNC(=O)[C@]12C[C@H]1CCN2C(=O)Cc1nn[n-]n1	ZINC001270789500	775508496	/nfs/dbraw/zinc/50/84/96/775508496.db2.gz	ROAYZRWOJQRPKY-OQPBUACISA-N	-1	1	321.341	-2.062	20	0		DAADMM
Cn1nnnc1NC(=O)[C@@]12C[C@@H]1CN(C(=O)Cc1nn[n-]n1)C2	ZINC001270784650	775508866	/nfs/dbraw/zinc/50/88/66/775508866.db2.gz	LWNUDSGJZBZDKU-KSBSHMNSSA-N	-1	1	318.301	-2.247	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC2(C[C@H]2C(=O)NCC2COC2)C1	ZINC001270788357	775508884	/nfs/dbraw/zinc/50/88/84/775508884.db2.gz	GFLTVXTXPZLWOQ-VIFPVBQESA-N	-1	1	306.326	-1.647	20	0		DAADMM
C[C@H]1c2ncc(CC(N)=O)n2CCN1C(=O)Cc1nn[n-]n1	ZINC001270788987	775508912	/nfs/dbraw/zinc/50/89/12/775508912.db2.gz	KTELJVXRMWZSDM-ZETCQYMHSA-N	-1	1	304.314	-1.430	20	0		DAADMM
Cn1nnnc1NC(=O)[C@H]1CC12CN(C(=O)Cc1nn[n-]n1)C2	ZINC001270784945	775509122	/nfs/dbraw/zinc/50/91/22/775509122.db2.gz	OABBDTIWHVXQOF-ZCFIWIBFSA-N	-1	1	318.301	-2.247	20	0		DAADMM
CN(C)C(=O)c1cn2c(n1)CN(C(=O)Cc1nn[n-]n1)CC2	ZINC001270788873	775509196	/nfs/dbraw/zinc/50/91/96/775509196.db2.gz	JFBFRYZCAQUGSC-UHFFFAOYSA-N	-1	1	304.314	-1.317	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC2(C1)CC[C@@H](C(=O)N1CC=CC1)O2	ZINC001270788984	775509275	/nfs/dbraw/zinc/50/92/75/775509275.db2.gz	KSJMJOSETBTZEK-JTQLQIEISA-N	-1	1	318.337	-1.099	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1C[C@H]2C[C@@]2(C(=O)NCc2c[nH]cn2)C1	ZINC001270789164	775509706	/nfs/dbraw/zinc/50/97/06/775509706.db2.gz	NXHVOPLJMZVAPG-AMIZOPFISA-N	-1	1	316.325	-1.370	20	0		DAADMM
CN(C)C(=O)c1[nH]nc2c1CN(C(=O)Cn1nn[n-]c1=S)C2	ZINC001270939183	775519938	/nfs/dbraw/zinc/51/99/38/775519938.db2.gz	QOLXYFQWJDNPHZ-UHFFFAOYSA-N	-1	1	322.354	-1.071	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)C(=O)NCC(F)F	ZINC001271020968	775524880	/nfs/dbraw/zinc/52/48/80/775524880.db2.gz	HLRQNOKKPZTIIY-ZCFIWIBFSA-N	-1	1	320.300	-1.172	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)CN1C(=O)CCC1=O	ZINC001271195750	775558017	/nfs/dbraw/zinc/55/80/17/775558017.db2.gz	ASHALXMXBOJQSC-QMMMGPOBSA-N	-1	1	324.341	-1.404	20	0		DAADMM
NC(=O)CN1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2C1	ZINC001088183896	775583289	/nfs/dbraw/zinc/58/32/89/775583289.db2.gz	CFJYLBWIVYHZHI-BDAKNGLRSA-N	-1	1	324.341	-2.045	20	0		DAADMM
C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001088461316	775611897	/nfs/dbraw/zinc/61/18/97/775611897.db2.gz	AXCKOTNNHFTMDP-BDAKNGLRSA-N	-1	1	321.345	-2.126	20	0		DAADMM
C[C@@H]1[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCN1CCO	ZINC001088927288	775735224	/nfs/dbraw/zinc/73/52/24/775735224.db2.gz	FSFBFDFNLZKDFZ-KOLCDFICSA-N	-1	1	320.353	-1.358	20	0		DAADMM
C[C@@H]1[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)CCN1CC(N)=O	ZINC001088978915	775738145	/nfs/dbraw/zinc/73/81/45/775738145.db2.gz	KWHWAJBSHHAHMK-SFYZADRCSA-N	-1	1	319.325	-1.905	20	0		DAADMM
C[C@H]1OCC[C@H]1C(=O)N(CCO)CCNCc1n[nH]c(=O)[n-]1	ZINC001272284012	775739816	/nfs/dbraw/zinc/73/98/16/775739816.db2.gz	FJOLMKWYARWXIA-NXEZZACHSA-N	-1	1	313.358	-1.154	20	0		DAADMM
CN(C)c1cnc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)cn1	ZINC001127284233	775782885	/nfs/dbraw/zinc/78/28/85/775782885.db2.gz	FWRLRKRBCBVNMT-UHFFFAOYSA-N	-1	1	306.330	-1.114	20	0		DAADMM
CC(=O)N1CC[C@H](n2cc(CNCc3nc(=O)n(C)[n-]3)nn2)C1	ZINC001089572138	775810312	/nfs/dbraw/zinc/81/03/12/775810312.db2.gz	LUHDXZGBZJBEHG-NSHDSACASA-N	-1	1	320.357	-1.217	20	0		DAADMM
NS(=O)(=O)C1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001299240052	775843974	/nfs/dbraw/zinc/84/39/74/775843974.db2.gz	WAWRBNQXIPMVDV-UHFFFAOYSA-N	-1	1	302.312	-2.574	20	0		DAADMM
CCON(C)C(=O)CNS(=O)(=O)c1cc(C(=O)OC)n[n-]1	ZINC001212383829	775902736	/nfs/dbraw/zinc/90/27/36/775902736.db2.gz	HACUKRPECMFFLQ-UHFFFAOYSA-N	-1	1	320.327	-1.116	20	0		DAADMM
CCON(C)C(=O)CNS(=O)(=O)c1cc(C(=O)OC)[n-]n1	ZINC001212383829	775902743	/nfs/dbraw/zinc/90/27/43/775902743.db2.gz	HACUKRPECMFFLQ-UHFFFAOYSA-N	-1	1	320.327	-1.116	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3ccnnc3)[C@@H](O)C2)nc1=O	ZINC001083805506	775927099	/nfs/dbraw/zinc/92/70/99/775927099.db2.gz	UGPRNCYPLQTOON-ZJUUUORDSA-N	-1	1	319.325	-2.127	20	0		DAADMM
C[C@]1(CNC(=O)c2cnn[nH]2)CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001108043854	775933074	/nfs/dbraw/zinc/93/30/74/775933074.db2.gz	OLCIRCAOZDKOOB-LBPRGKRZSA-N	-1	1	322.329	-1.351	20	0		DAADMM
C[C@@]1(CNC(=O)c2cnn[nH]2)CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001108043853	775933893	/nfs/dbraw/zinc/93/38/93/775933893.db2.gz	OLCIRCAOZDKOOB-GFCCVEGCSA-N	-1	1	322.329	-1.351	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)C(F)F)[C@H](O)C2)nc1=O	ZINC001089983014	775939984	/nfs/dbraw/zinc/93/99/84/775939984.db2.gz	FUCIWZKEYBEZMA-NKWVEPMBSA-N	-1	1	305.285	-1.575	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)C(C)(C)F)[C@@H](O)C2)nc1=O	ZINC001090000844	775949249	/nfs/dbraw/zinc/94/92/49/775949249.db2.gz	LWFOOTJNQBKJEJ-IUCAKERBSA-N	-1	1	315.349	-1.092	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)C(C)(F)F)[C@@H](O)C2)nc1=O	ZINC001089998703	775949322	/nfs/dbraw/zinc/94/93/22/775949322.db2.gz	XBDQATHCPVQRNF-SFYZADRCSA-N	-1	1	319.312	-1.185	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)C(C)(C)F)[C@H](O)C2)nc1=O	ZINC001090000842	775949836	/nfs/dbraw/zinc/94/98/36/775949836.db2.gz	LWFOOTJNQBKJEJ-DTWKUNHWSA-N	-1	1	315.349	-1.092	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3ccn[nH]3)[C@H](O)C2)nc1=O	ZINC001090104939	775976760	/nfs/dbraw/zinc/97/67/60/775976760.db2.gz	PTWRCNIMNZSQOO-PSASIEDQSA-N	-1	1	321.341	-1.803	20	0		DAADMM
COCCN1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H](O)C1	ZINC001083841076	775976944	/nfs/dbraw/zinc/97/69/44/775976944.db2.gz	DOAACERRJIYBLM-MNOVXSKESA-N	-1	1	321.337	-1.556	20	0		DAADMM
C[C@H](O)CN1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H](O)C1	ZINC001083841751	775979362	/nfs/dbraw/zinc/97/93/62/775979362.db2.gz	KEYPAYFWANKTLE-GDPRMGEGSA-N	-1	1	321.337	-1.822	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)[C@@H]3C[C@H]3C3CC3)[C@@H](O)C2)nc1=O	ZINC001083849542	775987510	/nfs/dbraw/zinc/98/75/10/775987510.db2.gz	KYNWMYYYAUFMEW-QCNOEVLYSA-N	-1	1	321.381	-1.184	20	0		DAADMM
CN(CC(=O)NCCNCc1n[nH]c(=O)[n-]1)S(C)(=O)=O	ZINC001128604407	775996772	/nfs/dbraw/zinc/99/67/72/775996772.db2.gz	YHTYRYVUYNYVBF-UHFFFAOYSA-N	-1	1	306.348	-2.393	20	0		DAADMM
C[C@H](C(=O)NCCNCc1n[nH]c(=O)[n-]1)N1C(=O)CCC1=O	ZINC001128720903	776011825	/nfs/dbraw/zinc/01/18/25/776011825.db2.gz	UMKDWSXQLDJCQP-SSDOTTSWSA-N	-1	1	310.314	-1.746	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3ncc[nH]3)[C@@H](O)C2)nc1=O	ZINC001090251355	776048768	/nfs/dbraw/zinc/04/87/68/776048768.db2.gz	JDYZHCOSOJJHMM-IUCAKERBSA-N	-1	1	321.341	-1.803	20	0		DAADMM
[NH3+]Cc1nc(=O)[nH]n1-c1cc(CN2CCNC(=O)C2)ccn1	ZINC001168760347	776054929	/nfs/dbraw/zinc/05/49/29/776054929.db2.gz	HLEIIZAHZHUURM-UHFFFAOYSA-N	-1	1	303.326	-1.242	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3ccncn3)[C@@H](O)C2)nc1=O	ZINC001083873138	776060414	/nfs/dbraw/zinc/06/04/14/776060414.db2.gz	OERQAYUDKLHYTG-ZJUUUORDSA-N	-1	1	319.325	-2.127	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)Cc3ccco3)[C@@H](O)C2)nc1=O	ZINC001083878798	776070059	/nfs/dbraw/zinc/07/00/59/776070059.db2.gz	JERBLZYVPXFEBK-MNOVXSKESA-N	-1	1	321.337	-1.395	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3cccnn3)[C@@H](O)C2)nc1=O	ZINC001083882223	776074610	/nfs/dbraw/zinc/07/46/10/776074610.db2.gz	PALZINBPCRIEPP-ZJUUUORDSA-N	-1	1	319.325	-2.127	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)Cc3ncc[nH]3)[C@@H](O)C2)nc1=O	ZINC001083890604	776081222	/nfs/dbraw/zinc/08/12/22/776081222.db2.gz	BREXGMJFHVDDME-BDAKNGLRSA-N	-1	1	321.341	-2.265	20	0		DAADMM
O=C(Cc1nnc[nH]1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001083935651	776120388	/nfs/dbraw/zinc/12/03/88/776120388.db2.gz	GPPIEEVSMKEHEX-RQJHMYQMSA-N	-1	1	308.302	-2.468	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)Cn3ccnc3)[C@@H](O)C2)nc1=O	ZINC001084115921	776166268	/nfs/dbraw/zinc/16/62/68/776166268.db2.gz	SMLYBIKMSPYXHZ-ZJUUUORDSA-N	-1	1	321.341	-2.334	20	0		DAADMM
Cc1nonc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001084119399	776168188	/nfs/dbraw/zinc/16/81/88/776168188.db2.gz	JYFVRJVTCXQDSO-SFYZADRCSA-N	-1	1	323.313	-2.225	20	0		DAADMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@H]1COC(=O)N1	ZINC001085576401	776214674	/nfs/dbraw/zinc/21/46/74/776214674.db2.gz	QPKUXXRCHBNJLA-RKDXNWHRSA-N	-1	1	324.341	-1.751	20	0		DAADMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@H]1COC(=O)N1	ZINC001085576399	776215051	/nfs/dbraw/zinc/21/50/51/776215051.db2.gz	QPKUXXRCHBNJLA-DTWKUNHWSA-N	-1	1	324.341	-1.751	20	0		DAADMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1COC(=O)N1	ZINC001085576400	776215555	/nfs/dbraw/zinc/21/55/55/776215555.db2.gz	QPKUXXRCHBNJLA-IUCAKERBSA-N	-1	1	324.341	-1.751	20	0		DAADMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@H]1CNC(=O)N1	ZINC001085793105	776225271	/nfs/dbraw/zinc/22/52/71/776225271.db2.gz	BXFHPBZKENTZAS-DTWKUNHWSA-N	-1	1	323.357	-2.178	20	0		DAADMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@H]1C[C@H]1C(N)=O	ZINC001085821167	776228159	/nfs/dbraw/zinc/22/81/59/776228159.db2.gz	VMLKXJGYEJRNHS-BBBLOLIVSA-N	-1	1	322.369	-1.738	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)CNC(=O)C3CC3)CC2)nc1=O	ZINC001112645269	776354553	/nfs/dbraw/zinc/35/45/53/776354553.db2.gz	PDUHGWZWUBECBQ-UHFFFAOYSA-N	-1	1	322.369	-1.721	20	0		DAADMM
CC(=O)N(C)CC(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001112631328	776355387	/nfs/dbraw/zinc/35/53/87/776355387.db2.gz	YWKLNTLHVJJKEB-UHFFFAOYSA-N	-1	1	310.358	-1.769	20	0		DAADMM
COC(=O)NCC(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001112655158	776355482	/nfs/dbraw/zinc/35/54/82/776355482.db2.gz	DTNIMLRFJROEIM-UHFFFAOYSA-N	-1	1	312.330	-1.891	20	0		DAADMM
CC[C@H](NC(C)=O)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001113371911	776403696	/nfs/dbraw/zinc/40/36/96/776403696.db2.gz	YKJGTKSUJMUZCA-NSHDSACASA-N	-1	1	324.385	-1.333	20	0		DAADMM
CCC(=O)NCC(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001114058488	776446093	/nfs/dbraw/zinc/44/60/93/776446093.db2.gz	UBBCHTSMWSXNBC-WOFXILAISA-N	-1	1	322.369	-1.819	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)c1cn2c(n1)COCC2	ZINC001130250666	776499170	/nfs/dbraw/zinc/49/91/70/776499170.db2.gz	FCKQUXYOGLJQNF-UHFFFAOYSA-N	-1	1	307.314	-1.243	20	0		DAADMM
CC(=O)NCC(=O)NCC(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001130381588	776506976	/nfs/dbraw/zinc/50/69/76/776506976.db2.gz	CSWPUESFARSQGC-UHFFFAOYSA-N	-1	1	313.318	-3.032	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)[C@H]1CCC2N=NC(=O)N2C1	ZINC001130441229	776509492	/nfs/dbraw/zinc/50/94/92/776509492.db2.gz	CMGUFIDXNHUFKE-ZETCQYMHSA-N	-1	1	322.329	-1.724	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)[C@@H]1CCC2N=NC(=O)N2C1	ZINC001130441228	776509990	/nfs/dbraw/zinc/50/99/90/776509990.db2.gz	CMGUFIDXNHUFKE-SSDOTTSWSA-N	-1	1	322.329	-1.724	20	0		DAADMM
Cc1nc(CNCCNC(=O)CCc2n[nH]c(=O)[n-]c2=O)n[nH]1	ZINC001130757216	776530282	/nfs/dbraw/zinc/53/02/82/776530282.db2.gz	WUQXTIHSQVPCGW-UHFFFAOYSA-N	-1	1	322.329	-1.452	20	0		DAADMM
Cn1nncc1CNCCNC(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC001130757137	776530959	/nfs/dbraw/zinc/53/09/59/776530959.db2.gz	SDCGTPNOPRPDBJ-UHFFFAOYSA-N	-1	1	322.329	-1.750	20	0		DAADMM
COc1coc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)cc1=O	ZINC001131357996	776564475	/nfs/dbraw/zinc/56/44/75/776564475.db2.gz	RIDNNVZDQUDTRW-UHFFFAOYSA-N	-1	1	309.282	-1.008	20	0		DAADMM
CC(=O)NCC(=O)N[C@H]1CC[C@H](C)N(Cc2nc(=O)n(C)[n-]2)C1	ZINC001131746375	776583701	/nfs/dbraw/zinc/58/37/01/776583701.db2.gz	BZAFBMNTIPGISY-ONGXEEELSA-N	-1	1	324.385	-1.286	20	0		DAADMM
CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2nc(=O)n(C)[n-]2)C1	ZINC001131746373	776583857	/nfs/dbraw/zinc/58/38/57/776583857.db2.gz	BZAFBMNTIPGISY-MWLCHTKSSA-N	-1	1	324.385	-1.286	20	0		DAADMM
C[C@@H]1CC[C@@H](NC(=O)CC(N)=O)CN1Cc1nc(=O)n(C)[n-]1	ZINC001131933942	776601919	/nfs/dbraw/zinc/60/19/19/776601919.db2.gz	BSYHEJWWBXXMJL-RKDXNWHRSA-N	-1	1	310.358	-1.547	20	0		DAADMM
CNC(=O)CC(=O)N[C@@H]1CC[C@@H](C)N(Cc2nc(=O)n(C)[n-]2)C1	ZINC001131975913	776602253	/nfs/dbraw/zinc/60/22/53/776602253.db2.gz	GCGBSUZXROJMEG-NXEZZACHSA-N	-1	1	324.385	-1.286	20	0		DAADMM
CCn1nncc1CNCCNC(=O)c1cnc([O-])n(C)c1=O	ZINC001132241960	776613461	/nfs/dbraw/zinc/61/34/61/776613461.db2.gz	FABDCTRFAMHAIC-UHFFFAOYSA-N	-1	1	321.341	-1.383	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)[C@H]1CCCc2nn[nH]c21	ZINC001133001411	776649353	/nfs/dbraw/zinc/64/93/53/776649353.db2.gz	ZVHBCZMPXLGOCR-ZETCQYMHSA-N	-1	1	306.330	-1.046	20	0		DAADMM
CC(C)c1nnnn1CC(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001135001909	776732389	/nfs/dbraw/zinc/73/23/89/776732389.db2.gz	PZJFNSQLGZHLJP-UHFFFAOYSA-N	-1	1	309.334	-1.474	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCNCc1ccon1	ZINC001135386695	776755162	/nfs/dbraw/zinc/75/51/62/776755162.db2.gz	DCAFMKRDTGMTCR-UHFFFAOYSA-N	-1	1	307.310	-1.179	20	0		DAADMM
Cc1cc(C)n(CC(=O)NCCNCc2n[nH]c(=O)[n-]2)c(=O)n1	ZINC001135833719	776772500	/nfs/dbraw/zinc/77/25/00/776772500.db2.gz	WUNCKVCPARQSEE-UHFFFAOYSA-N	-1	1	321.341	-1.410	20	0		DAADMM
CCN(CCCNC(=O)CCc1nn[n-]n1)S(C)(=O)=O	ZINC001136337601	776786771	/nfs/dbraw/zinc/78/67/71/776786771.db2.gz	OMFPZHPJAMMKIY-UHFFFAOYSA-N	-1	1	304.376	-1.080	20	0		DAADMM
O=C(N[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ncn[n-]1	ZINC001090658399	776810873	/nfs/dbraw/zinc/81/08/73/776810873.db2.gz	XVVNXAJUJKKKIL-NKWVEPMBSA-N	-1	1	308.302	-2.006	20	0		DAADMM
O=C(N[C@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ncn[n-]1	ZINC001090658399	776810881	/nfs/dbraw/zinc/81/08/81/776810881.db2.gz	XVVNXAJUJKKKIL-NKWVEPMBSA-N	-1	1	308.302	-2.006	20	0		DAADMM
CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)CCc2nn[n-]n2)C1=O	ZINC001294364844	777983540	/nfs/dbraw/zinc/98/35/40/777983540.db2.gz	GMJVVUKERHJPEN-OQPBUACISA-N	-1	1	321.341	-1.031	20	0		DAADMM
COCC(=O)NC[C@@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001295401064	778002451	/nfs/dbraw/zinc/00/24/51/778002451.db2.gz	MTPLIRJBJLQBIC-SECBINFHSA-N	-1	1	312.326	-1.806	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCO[C@H](c2ncon2)C1	ZINC001296313518	778023743	/nfs/dbraw/zinc/02/37/43/778023743.db2.gz	RIIJGBQFNJGQIN-VIFPVBQESA-N	-1	1	321.293	-1.090	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NC[C@@H](O)CNC(=O)C1CC1	ZINC001298141195	778058586	/nfs/dbraw/zinc/05/85/86/778058586.db2.gz	BSNPVQIDORFVGB-SNVBAGLBSA-N	-1	1	324.337	-2.070	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NC[C@H](O)CNC(=O)C1CC1	ZINC001298141194	778059007	/nfs/dbraw/zinc/05/90/07/778059007.db2.gz	BSNPVQIDORFVGB-JTQLQIEISA-N	-1	1	324.337	-2.070	20	0		DAADMM
CN1CC(=O)N(CC(=O)N2CCC(c3nn[n-]n3)CC2)C1=O	ZINC001302753197	778096402	/nfs/dbraw/zinc/09/64/02/778096402.db2.gz	NLHBAJAKZQAFQB-UHFFFAOYSA-N	-1	1	307.314	-1.200	20	0		DAADMM
C[C@@H](C(=O)NN1CC(=O)[N-]C1=O)S(=O)(=O)C1CCOCC1	ZINC001306328370	778100981	/nfs/dbraw/zinc/10/09/81/778100981.db2.gz	KYULUZADDMCOFP-ZETCQYMHSA-N	-1	1	319.339	-1.448	20	0		DAADMM
COCCNC(=O)C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001308997887	778103375	/nfs/dbraw/zinc/10/33/75/778103375.db2.gz	BSHNQEVPJPMXBH-UHFFFAOYSA-N	-1	1	320.327	-2.473	20	0		DAADMM
O=C1CNC(=O)N1CC[N-]S(=O)(=O)N=S1(=O)CCCC1	ZINC001309175495	778103478	/nfs/dbraw/zinc/10/34/78/778103478.db2.gz	XKNYTDSZQWMNAP-UHFFFAOYSA-N	-1	1	324.384	-1.366	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)N[C@@H](C)[C@H]1CN(C)CCN1C	ZINC001123566887	779584480	/nfs/dbraw/zinc/58/44/80/779584480.db2.gz	HIDZYAGTJDBKQS-WDEREUQCSA-N	-1	1	301.391	-1.012	20	0		DAADMM
CN1C(=O)CN(C(=O)CNC(=O)c2ncccc2[O-])CC1=O	ZINC001139116601	779611835	/nfs/dbraw/zinc/61/18/35/779611835.db2.gz	CFWYEXUMZKWUKR-UHFFFAOYSA-N	-1	1	306.278	-1.656	20	0		DAADMM
Cc1cn(CC(=O)Nc2c(N)[nH]c(=O)[n-]c2=O)c(=O)[nH]c1=O	ZINC001142312364	779622057	/nfs/dbraw/zinc/62/20/57/779622057.db2.gz	KBVVASYYYDXXCP-UHFFFAOYSA-N	-1	1	308.254	-1.321	20	0		DAADMM
O=C(CNC(=O)c1ccco1)NCCNCc1n[nH]c(=O)[n-]1	ZINC001149884896	779644432	/nfs/dbraw/zinc/64/44/32/779644432.db2.gz	RQZLXSVMSHQIDK-UHFFFAOYSA-N	-1	1	308.298	-1.261	20	0		DAADMM
CN1CC(=O)N(CC(=O)NCCNCc2n[nH]c(=O)[n-]2)C1=O	ZINC001150331903	779653182	/nfs/dbraw/zinc/65/31/82/779653182.db2.gz	NUIPZYYUWLICIH-UHFFFAOYSA-N	-1	1	311.302	-2.390	20	0		DAADMM
O=C(CC[C@@H]1NC(=O)NC1=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001150399981	779656730	/nfs/dbraw/zinc/65/67/30/779656730.db2.gz	JYWDMPMSDHVUKU-LURJTMIESA-N	-1	1	311.302	-2.296	20	0		DAADMM
NC(=O)N1CCC(C(=O)NCCNCc2n[nH]c(=O)[n-]2)CC1	ZINC001150518400	779662329	/nfs/dbraw/zinc/66/23/29/779662329.db2.gz	XIWPNXYGLXBMEY-UHFFFAOYSA-N	-1	1	311.346	-1.493	20	0		DAADMM
O=C(CNC(=O)c1ccccn1)NCCNCc1n[nH]c(=O)[n-]1	ZINC001152066997	779685351	/nfs/dbraw/zinc/68/53/51/779685351.db2.gz	LOXGLUMHHOTITM-UHFFFAOYSA-N	-1	1	319.325	-1.459	20	0		DAADMM
Cn1nnc2c(C(=O)Nc3c(N)[nH]c(=O)[n-]c3=O)ncn2c1=O	ZINC001152747700	779696952	/nfs/dbraw/zinc/69/69/52/779696952.db2.gz	UXVLAAUHHDAJNG-UHFFFAOYSA-N	-1	1	319.241	-2.141	20	0		DAADMM
Cn1ccnc1C1(O)CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001153106681	779701192	/nfs/dbraw/zinc/70/11/92/779701192.db2.gz	REQSYRBRBJROSL-UHFFFAOYSA-N	-1	1	319.321	-1.610	20	0		DAADMM
CNC(=O)C1(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)CCC1	ZINC001155515752	779732621	/nfs/dbraw/zinc/73/26/21/779732621.db2.gz	FRHNGJBTQJCQCT-UHFFFAOYSA-N	-1	1	308.342	-1.074	20	0		DAADMM
Cn1[n-]c(CN2CC=C(CCNC(=O)CC(N)=O)CC2)nc1=O	ZINC001159667686	779795740	/nfs/dbraw/zinc/79/57/40/779795740.db2.gz	WTQPDJXEFUPLTK-UHFFFAOYSA-N	-1	1	322.369	-1.378	20	0		DAADMM
COC(=O)CNC(=O)CNc1nc(C)cc2c1C(=O)[N-]C2=O	ZINC001159826851	779797859	/nfs/dbraw/zinc/79/78/59/779797859.db2.gz	OEZSEEZKKHEOFL-UHFFFAOYSA-N	-1	1	306.278	-1.025	20	0		DAADMM
C[C@H](NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1nncn1C	ZINC001161863970	779846342	/nfs/dbraw/zinc/84/63/42/779846342.db2.gz	TTZRPOBWDXQGIB-ZETCQYMHSA-N	-1	1	322.329	-1.118	20	0		DAADMM
Cc1nnc(CNCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)[nH]1	ZINC001161864003	779846520	/nfs/dbraw/zinc/84/65/20/779846520.db2.gz	UMPWDQOTQFFTJM-UHFFFAOYSA-N	-1	1	308.302	-1.381	20	0		DAADMM
O=C(NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1)[C@H]1COC(=O)N1	ZINC001164351475	779878181	/nfs/dbraw/zinc/87/81/81/779878181.db2.gz	LDPNYMKMGOALAQ-MRVPVSSYSA-N	-1	1	324.341	-1.005	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C	ZINC001205864668	779904880	/nfs/dbraw/zinc/90/48/80/779904880.db2.gz	FMASKRBCOOCJBO-FXPVBKGRSA-N	-1	1	324.385	-1.431	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CNC(N)=O	ZINC001205937079	779906666	/nfs/dbraw/zinc/90/66/66/779906666.db2.gz	JKDFQTIQZSKJQX-HTQZYQBOSA-N	-1	1	311.346	-2.287	20	0		DAADMM
CCNC(=O)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C	ZINC001206890941	779912594	/nfs/dbraw/zinc/91/25/94/779912594.db2.gz	PCWSKNYVNWPBQZ-NXEZZACHSA-N	-1	1	324.385	-1.429	20	0		DAADMM
CNC(=O)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C	ZINC001206901630	779913189	/nfs/dbraw/zinc/91/31/89/779913189.db2.gz	FHMBWNVWMZSGKH-RKDXNWHRSA-N	-1	1	310.358	-1.819	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C(C)(C)C(N)=O	ZINC001207647919	779923235	/nfs/dbraw/zinc/92/32/35/779923235.db2.gz	GAZZHJCLFCRTAE-RKDXNWHRSA-N	-1	1	324.385	-1.444	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)CC(F)(F)F)[C@@H](O)C2)nc1=O	ZINC001219307982	780078477	/nfs/dbraw/zinc/07/84/77/780078477.db2.gz	AYDXLUCXUFEPOJ-RQJHMYQMSA-N	-1	1	323.275	-1.278	20	0		DAADMM
NC(=O)NC(=O)CN1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC001219495888	780104254	/nfs/dbraw/zinc/10/42/54/780104254.db2.gz	SKXHSXVEOQFKSX-APPZFPTMSA-N	-1	1	323.309	-2.243	20	0		DAADMM
O=C(N[C@@H]1CN(CCOCCO)C[C@@H]1O)c1cnc[nH]c1=O	ZINC001219855032	780157815	/nfs/dbraw/zinc/15/78/15/780157815.db2.gz	IOXGWDORISAGOL-MNOVXSKESA-N	-1	1	312.326	-2.034	20	0		DAADMM
O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@@H]1CN(CCO)C[C@@H]1O	ZINC001219940176	780166122	/nfs/dbraw/zinc/16/61/22/780166122.db2.gz	YUPMCDQUSULEQO-BDAKNGLRSA-N	-1	1	313.314	-2.631	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)CC3(C)CC3)[C@@H](O)C2)nc1=O	ZINC001220037188	780171909	/nfs/dbraw/zinc/17/19/09/780171909.db2.gz	MLCLMSRSOVRKBU-ZJUUUORDSA-N	-1	1	309.370	-1.040	20	0		DAADMM
NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CO[N-]C1=O	ZINC001220028583	780172284	/nfs/dbraw/zinc/17/22/84/780172284.db2.gz	XXFAKPQNZUMFOR-WDEREUQCSA-N	-1	1	306.322	-1.781	20	0		DAADMM
N[C@@H](Cc1nnn[n-]1)C(=O)NCCC1CCS(=O)(=O)CC1	ZINC001220141106	780184673	/nfs/dbraw/zinc/18/46/73/780184673.db2.gz	GOZMHXNOZYMFRS-VIFPVBQESA-N	-1	1	316.387	-1.599	20	0		DAADMM
CC(C)[C@@H](F)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001220174928	780188307	/nfs/dbraw/zinc/18/83/07/780188307.db2.gz	PNFHNJFLJLCZCO-WCABBAIRSA-N	-1	1	315.349	-1.236	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)C3(CF)CC3)[C@@H](O)C2)nc1=O	ZINC001220336279	780204416	/nfs/dbraw/zinc/20/44/16/780204416.db2.gz	OBBINUTVDSAOEX-BDAKNGLRSA-N	-1	1	313.333	-1.481	20	0		DAADMM
N[C@@H](Cc1nnn[n-]1)C(=O)N[C@H]1c2ccccc2CNC1=O	ZINC001220403609	780211249	/nfs/dbraw/zinc/21/12/49/780211249.db2.gz	XAEMBLGDXNFYCH-ONGXEEELSA-N	-1	1	301.310	-1.443	20	0		DAADMM
CS(=O)(=O)c1ccccc1CNC(=O)[C@@H](N)Cc1nnn[n-]1	ZINC001220683973	780239803	/nfs/dbraw/zinc/23/98/03/780239803.db2.gz	USTCIQJIQLYGEA-VIFPVBQESA-N	-1	1	324.366	-1.211	20	0		DAADMM
C[C@@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)OCc1nn[n-]n1	ZINC001223030622	780315227	/nfs/dbraw/zinc/31/52/27/780315227.db2.gz	YPPCSKLLMIWMCE-ZETCQYMHSA-N	-1	1	320.313	-1.448	20	0		DAADMM
CNC(=O)CN1CC[C@@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001276940133	780319185	/nfs/dbraw/zinc/31/91/85/780319185.db2.gz	KONXHKKPVMEBEK-SNVBAGLBSA-N	-1	1	323.353	-2.137	20	0		DAADMM
CC(=O)N(C)CC(=O)NC1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001226162294	780330608	/nfs/dbraw/zinc/33/06/08/780330608.db2.gz	RFODVTXJPFTFHH-UHFFFAOYSA-N	-1	1	324.385	-1.333	20	0		DAADMM
Cn1[n-]c(CN2CCC(NC(=O)CNC(N)=O)CC2)nc1=O	ZINC001226001043	780330674	/nfs/dbraw/zinc/33/06/74/780330674.db2.gz	ADJMXTHIWYYBEY-UHFFFAOYSA-N	-1	1	311.346	-2.143	20	0		DAADMM
C[C@H]1C[C@H]1CN1C[C@@H]2C(C(=O)N=c3nn[n-]n3C)=NO[C@@H]2C1	ZINC001277133958	780334126	/nfs/dbraw/zinc/33/41/26/780334126.db2.gz	KWEGXQRFAPWOQA-AATLWQCWSA-N	-1	1	305.342	-1.087	20	0		DAADMM
COC(=O)c1n[n-]c(O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])n1	ZINC001228310377	780347175	/nfs/dbraw/zinc/34/71/75/780347175.db2.gz	FUZXWYCMBUEDTP-XZBKPIIZSA-N	-1	1	316.226	-1.287	20	0		DAADMM
COC(=O)c1nc(O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])n[n-]1	ZINC001228310377	780347181	/nfs/dbraw/zinc/34/71/81/780347181.db2.gz	FUZXWYCMBUEDTP-XZBKPIIZSA-N	-1	1	316.226	-1.287	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)NC1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001228608517	780350345	/nfs/dbraw/zinc/35/03/45/780350345.db2.gz	VWPQYTBMNMPLIE-VIFPVBQESA-N	-1	1	324.385	-1.300	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)NC1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001228608516	780351669	/nfs/dbraw/zinc/35/16/69/780351669.db2.gz	VWPQYTBMNMPLIE-SECBINFHSA-N	-1	1	324.385	-1.300	20	0		DAADMM
Cn1[n-]c(CN2CCC(NC(=O)C3(C(N)=O)CC3)CC2)nc1=O	ZINC001228919503	780353662	/nfs/dbraw/zinc/35/36/62/780353662.db2.gz	KBTNDHFQKMBXRQ-UHFFFAOYSA-N	-1	1	322.369	-1.546	20	0		DAADMM
CN(C)C(=O)CC(=O)NC1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001229516497	780356814	/nfs/dbraw/zinc/35/68/14/780356814.db2.gz	IWQUOLFABZOBFP-UHFFFAOYSA-N	-1	1	324.385	-1.333	20	0		DAADMM
NC(=O)CN1CCC(NC(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC001229625299	780358891	/nfs/dbraw/zinc/35/88/91/780358891.db2.gz	DRVNEEAMKQRVOC-UHFFFAOYSA-N	-1	1	323.353	-2.007	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001230658678	780369896	/nfs/dbraw/zinc/36/98/96/780369896.db2.gz	DNNLNYXZFQQPCD-ONGXEEELSA-N	-1	1	324.385	-1.334	20	0		DAADMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)Cn1cnnn1	ZINC001230749118	780372923	/nfs/dbraw/zinc/37/29/23/780372923.db2.gz	KURWTOCLARWYLJ-SECBINFHSA-N	-1	1	321.345	-2.172	20	0		DAADMM
O=C([O-])C[C@@H](C(=O)Oc1[nH+][nH]cc2nncc1-2)[C@H](O)C(=O)[O-]	ZINC001230901790	780374779	/nfs/dbraw/zinc/37/47/79/780374779.db2.gz	UOPNDOSHEXIUSV-VHWMUFPASA-N	-1	1	310.222	-1.205	20	0		DAADMM
CNC(=O)CC(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001233898277	780401755	/nfs/dbraw/zinc/40/17/55/780401755.db2.gz	POLPUQLTFVOCKN-VIFPVBQESA-N	-1	1	310.358	-1.723	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CC[C@H](n2cncn2)C1	ZINC001255260818	780498144	/nfs/dbraw/zinc/49/81/44/780498144.db2.gz	ALEVRJBSPNLXHB-JTQLQIEISA-N	-1	1	304.310	-1.008	20	0		DAADMM
CCOC(=O)CC1([N-]S(=O)(=O)CS(C)(=O)=O)COC1	ZINC001260595147	780532349	/nfs/dbraw/zinc/53/23/49/780532349.db2.gz	PGLKVEWKQSXICT-UHFFFAOYSA-N	-1	1	315.369	-1.370	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1[C@@H]2CC[C@H]1CNC(=O)C2	ZINC001261829611	780560657	/nfs/dbraw/zinc/56/06/57/780560657.db2.gz	WLKVHEUAYIFQLU-ZJUUUORDSA-N	-1	1	306.322	-1.194	20	0		DAADMM
O=C(/C=C\CN1CCOCC1)N1CCOC[C@H]1c1nn[n-]n1	ZINC001262185651	780567821	/nfs/dbraw/zinc/56/78/21/780567821.db2.gz	XAIFBLNJKHTSKJ-BVBSBALXSA-N	-1	1	308.342	-1.012	20	0		DAADMM
CN1CC[C@H](C(=O)NC[C@@H](NCc2n[nH]c(=O)[n-]2)C2CC2)C1=O	ZINC001265368603	780601031	/nfs/dbraw/zinc/60/10/31/780601031.db2.gz	UORBJERPMDKIFD-NXEZZACHSA-N	-1	1	322.369	-1.027	20	0		DAADMM
NC(=O)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001265512895	780603610	/nfs/dbraw/zinc/60/36/10/780603610.db2.gz	NBVZGTWLPDEYJX-CBLAIPOGSA-N	-1	1	308.342	-1.003	20	0		DAADMM
CN(CCOCCNCc1n[nH]c(=O)[n-]1)C(=O)c1cnnn1C	ZINC001279408650	780621885	/nfs/dbraw/zinc/62/18/85/780621885.db2.gz	GYWWRGQNMKAUPN-UHFFFAOYSA-N	-1	1	324.345	-1.483	20	0		DAADMM
CC(=O)NC1CC(CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001279914814	780629920	/nfs/dbraw/zinc/62/99/20/780629920.db2.gz	OCVDBJWWOMUTPX-UHFFFAOYSA-N	-1	1	308.338	-1.042	20	0		DAADMM
O=C([C@H]1CNC(=O)N1)N1CC[C@H](CCNCc2n[nH]c(=O)[n-]2)C1	ZINC001280174631	780631746	/nfs/dbraw/zinc/63/17/46/780631746.db2.gz	YVRZISHQOSATHV-DTWKUNHWSA-N	-1	1	323.357	-1.480	20	0		DAADMM
CC(=O)NCCOCCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001280931474	780647940	/nfs/dbraw/zinc/64/79/40/780647940.db2.gz	LQRBOISERRAAGV-UHFFFAOYSA-N	-1	1	322.325	-1.310	20	0		DAADMM
NC(=O)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CCCO1	ZINC001281469585	780683121	/nfs/dbraw/zinc/68/31/21/780683121.db2.gz	OFHUMMNROAEEGA-SECBINFHSA-N	-1	1	322.321	-1.380	20	0		DAADMM
C[C@H](CNC(=O)[C@H]1CCCNC1=O)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001282401811	780705622	/nfs/dbraw/zinc/70/56/22/780705622.db2.gz	JLMJLWNVHFKDDT-ZJUUUORDSA-N	-1	1	324.385	-1.429	20	0		DAADMM
CC(=O)N[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)C1CC1	ZINC001283949552	780789527	/nfs/dbraw/zinc/78/95/27/780789527.db2.gz	XDCGGLFPKUYYJA-LLVKDONJSA-N	-1	1	308.338	-1.042	20	0		DAADMM
CC(=O)NCC(=O)N1CC2(C1)CCN(Cc1nc(=O)n(C)[n-]1)C2	ZINC001146913906	781420802	/nfs/dbraw/zinc/42/08/02/781420802.db2.gz	IAKTWTIDWGSWJD-UHFFFAOYSA-N	-1	1	322.369	-1.721	20	0		DAADMM
CC(=O)N1CC[C@](C)(C(=O)NCCNCc2n[nH]c(=O)[n-]2)C1	ZINC001146986883	781427638	/nfs/dbraw/zinc/42/76/38/781427638.db2.gz	RVJQYZKFKJSGIT-ZDUSSCGKSA-N	-1	1	310.358	-1.025	20	0		DAADMM
CN(CCCNC(=O)CCCc1nn[n-]n1)S(C)(=O)=O	ZINC001147152983	781432738	/nfs/dbraw/zinc/43/27/38/781432738.db2.gz	GITNAHQFVHVRGB-UHFFFAOYSA-N	-1	1	304.376	-1.080	20	0		DAADMM
Cc1nc2nccc(C(=O)NCCNCc3n[nH]c(=O)[n-]3)n2n1	ZINC001147645208	781449795	/nfs/dbraw/zinc/44/97/95/781449795.db2.gz	RSTWHGGWHPVXOR-UHFFFAOYSA-N	-1	1	317.313	-1.224	20	0		DAADMM
Cn1nnnc1CNCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001147705061	781454821	/nfs/dbraw/zinc/45/48/21/781454821.db2.gz	CZHIFGUKLIGBPY-UHFFFAOYSA-N	-1	1	318.301	-2.539	20	0		DAADMM
CC(C)(C)[C@@H](NC(N)=O)C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001147786526	781457465	/nfs/dbraw/zinc/45/74/65/781457465.db2.gz	GYUZFHZTENSYRM-QMMMGPOBSA-N	-1	1	313.362	-1.201	20	0		DAADMM
CN(C)c1ccc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)nn1	ZINC001148122393	781465359	/nfs/dbraw/zinc/46/53/59/781465359.db2.gz	UMIVGYVJBYHGJP-UHFFFAOYSA-N	-1	1	306.330	-1.114	20	0		DAADMM
C[C@@H]1CN(CC(N)=O)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001092783590	781502133	/nfs/dbraw/zinc/50/21/33/781502133.db2.gz	IGUOVXZPPMPOHV-RNFRBKRXSA-N	-1	1	310.314	-1.934	20	0		DAADMM
CCC(=O)N1CC(n2cc(CNCc3nc(=O)n(C)[n-]3)nn2)C1	ZINC001093293397	781509356	/nfs/dbraw/zinc/50/93/56/781509356.db2.gz	IOOCJWMFEYUFKQ-UHFFFAOYSA-N	-1	1	320.357	-1.217	20	0		DAADMM
O=C(NCCNc1nccn2nnnc12)c1nnc([O-])[nH]c1=O	ZINC001094253084	781534002	/nfs/dbraw/zinc/53/40/02/781534002.db2.gz	CJIWFSZOCMGBRY-UHFFFAOYSA-N	-1	1	318.257	-2.043	20	0		DAADMM
CC(=O)N[C@H]1CC(=O)N(C2CN(Cc3nc(=O)n(C)[n-]3)C2)C1	ZINC001094687905	781556376	/nfs/dbraw/zinc/55/63/76/781556376.db2.gz	SVBKISQXOJNCFD-VIFPVBQESA-N	-1	1	308.342	-1.970	20	0		DAADMM
C=CNc1[n-]c(=O)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC001174781547	781600211	/nfs/dbraw/zinc/60/02/11/781600211.db2.gz	PDORJBKCHHPTSN-IOSLPCCCSA-N	-1	1	309.282	-1.301	20	0		DAADMM
CN1CCC=C(n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)C1	ZINC001175574751	781609004	/nfs/dbraw/zinc/60/90/04/781609004.db2.gz	AVOKAGNJWVPELX-UHFFFAOYSA-N	-1	1	316.343	-1.115	20	0		DAADMM
Cn1cc(N2C[C@@H]3CN(C(=O)Cc4nn[n-]n4)C[C@@H]3C2=O)cn1	ZINC001176840802	781623225	/nfs/dbraw/zinc/62/32/25/781623225.db2.gz	NOMJKFPCRYKMJL-WPRPVWTQSA-N	-1	1	316.325	-1.403	20	0		DAADMM
CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)Cc1nn[n-]n1)C2	ZINC001176840831	781623731	/nfs/dbraw/zinc/62/37/31/781623731.db2.gz	NZYPTJSNSGFFLX-LBPRGKRZSA-N	-1	1	307.314	-2.308	20	0		DAADMM
CCOC(=O)c1nc2n(n1)CCN(C(=O)Cc1nn[n-]n1)C2	ZINC001176840237	781624141	/nfs/dbraw/zinc/62/41/41/781624141.db2.gz	MGYPYJNBDJPUPA-UHFFFAOYSA-N	-1	1	306.286	-1.447	20	0		DAADMM
CCn1c(N)c(NC(=O)Cc2nn[n-]n2)c(=O)n(CC)c1=O	ZINC001176845004	781624727	/nfs/dbraw/zinc/62/47/27/781624727.db2.gz	JARKDNCSBVTDTE-UHFFFAOYSA-N	-1	1	308.302	-1.674	20	0		DAADMM
O=C(Cc1nn[n-]n1)NCc1ccc(N2CCOCC2)nn1	ZINC001176845878	781624862	/nfs/dbraw/zinc/62/48/62/781624862.db2.gz	TYUOYYIHSVQIGN-UHFFFAOYSA-N	-1	1	304.314	-1.315	20	0		DAADMM
COC(=O)CNC(=O)CNC(=O)C(F)(F)C(F)(F)C(=O)[O-]	ZINC001180176481	781666960	/nfs/dbraw/zinc/66/69/60/781666960.db2.gz	CEGVKNJGLRGLPJ-UHFFFAOYSA-N	-1	1	318.179	-1.253	20	0		DAADMM
O=C(CN1C(=O)CNC1=O)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21	ZINC001180386204	781670505	/nfs/dbraw/zinc/67/05/05/781670505.db2.gz	HYSRPUXVKZBVPK-UHFFFAOYSA-N	-1	1	307.226	-1.794	20	0		DAADMM
C[C@@H](O)CC(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC001181356890	781686947	/nfs/dbraw/zinc/68/69/47/781686947.db2.gz	LUDSBMWRIQMARX-SCZZXKLOSA-N	-1	1	312.326	-1.201	20	0		DAADMM
O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)[C@H]1CCO1	ZINC001181587163	781689948	/nfs/dbraw/zinc/68/99/48/781689948.db2.gz	IOYHZAJLRYZTFW-VHSXEESVSA-N	-1	1	310.310	-1.183	20	0		DAADMM
C[C@@H](CC(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)NC(N)=O	ZINC001182560976	781708790	/nfs/dbraw/zinc/70/87/90/781708790.db2.gz	HRMFGROEZFEMFK-JGVFFNPUSA-N	-1	1	311.346	-1.352	20	0		DAADMM
CN(CC(=O)NCCCC[P@](=O)([O-])O)S(C)(=O)=O	ZINC001182882064	781715183	/nfs/dbraw/zinc/71/51/83/781715183.db2.gz	ANLGKHZHUVNLRZ-UHFFFAOYSA-N	-1	1	302.289	-1.048	20	0		DAADMM
C[C@H]1[C@H](NC(=O)C(O)C(F)(F)F)C(=O)N1S(=O)(=O)[O-]	ZINC001183201535	781724318	/nfs/dbraw/zinc/72/43/18/781724318.db2.gz	MPAVBRDYCJHKNV-HZLVTQRSSA-N	-1	1	306.218	-1.572	20	0		DAADMM
CNC(=O)CC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001187668477	781803081	/nfs/dbraw/zinc/80/30/81/781803081.db2.gz	ZREAEEBGHPIDOK-VHSXEESVSA-N	-1	1	322.369	-1.723	20	0		DAADMM
O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1n[n-]nc1C(F)(F)F	ZINC001187770616	781806175	/nfs/dbraw/zinc/80/61/75/781806175.db2.gz	OGWXRPJDYFIZQL-VLVWYGMNSA-N	-1	1	310.232	-1.344	20	0		DAADMM
CNS(=O)(=O)CC(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001187902679	781809860	/nfs/dbraw/zinc/80/98/60/781809860.db2.gz	VNUFJOIUUCPENZ-SSDOTTSWSA-N	-1	1	318.359	-2.250	20	0		DAADMM
CN(C)C(=O)NCC[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001188655866	781822391	/nfs/dbraw/zinc/82/23/91/781822391.db2.gz	HBNHLQJQCLRMBS-UHFFFAOYSA-N	-1	1	319.343	-1.965	20	0		DAADMM
Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CC(N)=O)C3)nc1=O	ZINC001110414131	781847086	/nfs/dbraw/zinc/84/70/86/781847086.db2.gz	LUTZVQNKDBDGMW-HLTSFMKQSA-N	-1	1	308.342	-1.795	20	0		DAADMM
CNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001191163666	781898637	/nfs/dbraw/zinc/89/86/37/781898637.db2.gz	ZGPXSVPOUYYEOT-YUMQZZPRSA-N	-1	1	324.341	-1.436	20	0		DAADMM
CNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001191163665	781899980	/nfs/dbraw/zinc/89/99/80/781899980.db2.gz	ZGPXSVPOUYYEOT-SFYZADRCSA-N	-1	1	324.341	-1.436	20	0		DAADMM
CSc1ncc(C(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[n-]1	ZINC001191436648	781912159	/nfs/dbraw/zinc/91/21/59/781912159.db2.gz	FXLOWXNIQOKOQM-YYNOVJQHSA-N	-1	1	315.351	-1.264	20	0		DAADMM
CSc1ncc(C(=O)N2CN[C@H](N)[C@H]3NCN[C@@H]32)c(=O)[n-]1	ZINC001191440916	781912370	/nfs/dbraw/zinc/91/23/70/781912370.db2.gz	OVGQRHZPBHFDRW-GJMOJQLCSA-N	-1	1	311.371	-1.963	20	0		DAADMM
CC(C)OCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001191564847	781917391	/nfs/dbraw/zinc/91/73/91/781917391.db2.gz	NXQRYEOOKXSNGI-NXEZZACHSA-N	-1	1	313.358	-1.805	20	0		DAADMM
CCCOCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001191554688	781917460	/nfs/dbraw/zinc/91/74/60/781917460.db2.gz	XELKJUFPKCXXAE-NXEZZACHSA-N	-1	1	313.358	-1.804	20	0		DAADMM
O=C(Cn1ncnn1)N1CC[C@H]1CNC(=O)c1ncccc1[O-]	ZINC000949538144	916085336	/nfs/dbraw/zinc/08/53/36/916085336.db2.gz	GFLQLPBKXRMVSF-VIFPVBQESA-N	-1	1	317.309	-1.195	20	0		DAADMM
C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001088552025	916108030	/nfs/dbraw/zinc/10/80/30/916108030.db2.gz	JDEJMDQINAAXMQ-BDAKNGLRSA-N	-1	1	320.357	-1.370	20	0		DAADMM
O=C(N[C@H]1CCN(CCO)C[C@@H]1O)c1c[n-]n2c1nccc2=O	ZINC001090628510	916111950	/nfs/dbraw/zinc/11/19/50/916111950.db2.gz	AOYHULLYDYHHBD-QWRGUYRKSA-N	-1	1	321.337	-1.820	20	0		DAADMM
NC(=O)CO[N-]C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	ZINC001137887533	916143148	/nfs/dbraw/zinc/14/31/48/916143148.db2.gz	LATKTHVMVYEWTA-JGVFFNPUSA-N	-1	1	319.339	-2.445	20	0		DAADMM
COC(=O)CS(=O)(=O)[N-][C@@H](Cc1ccc(O)cc1)C(O)O	ZINC001259031657	916175876	/nfs/dbraw/zinc/17/58/76/916175876.db2.gz	SMEWDLNMFJRIIG-JTQLQIEISA-N	-1	1	319.335	-1.294	20	0		DAADMM
COC(=O)/C=C\[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001309958742	916207732	/nfs/dbraw/zinc/20/77/32/916207732.db2.gz	FKFTYOPBWSUHFF-MJSGSUOKSA-N	-1	1	317.323	-1.118	20	0		DAADMM
CNC(=O)C1(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)CC1	ZINC001317306560	916287235	/nfs/dbraw/zinc/28/72/35/916287235.db2.gz	BOEHKIIACYWQIA-QMMMGPOBSA-N	-1	1	308.342	-1.273	20	0		DAADMM
Cc1ccc(S(N)(=O)=O)cc1C(=O)NN1CC(=O)[N-]C1=O	ZINC001317820761	916351306	/nfs/dbraw/zinc/35/13/06/916351306.db2.gz	FVVRMMCBIPHGBV-UHFFFAOYSA-N	-1	1	312.307	-1.161	20	0		DAADMM
C[C@H](O)CCCN1CC(NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001318071327	916369319	/nfs/dbraw/zinc/36/93/19/916369319.db2.gz	MORIBPGBKNZGFX-NSHDSACASA-N	-1	1	324.381	-1.112	20	0		DAADMM
CN(CCS(C)(=O)=O)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001318444836	916394707	/nfs/dbraw/zinc/39/47/07/916394707.db2.gz	YZSFQDDQCVIESU-UHFFFAOYSA-N	-1	1	303.340	-1.570	20	0		DAADMM
C[C@H](CS(C)(=O)=O)N(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001318452562	916395164	/nfs/dbraw/zinc/39/51/64/916395164.db2.gz	VIAJQJVFMWDHLA-SECBINFHSA-N	-1	1	317.367	-1.182	20	0		DAADMM
C[C@H](CS(C)(=O)=O)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001318515002	916398545	/nfs/dbraw/zinc/39/85/45/916398545.db2.gz	REQRRHFTRMMSKE-MRVPVSSYSA-N	-1	1	303.340	-1.524	20	0		DAADMM
CN1C(=S)N=NC1CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001318499314	916398893	/nfs/dbraw/zinc/39/88/93/916398893.db2.gz	IQAHZKOSJHUGKM-UHFFFAOYSA-N	-1	1	310.339	-1.340	20	0		DAADMM
CNC(=O)COc1cccc(CC(=O)NN2CC(=O)[N-]C2=O)c1	ZINC001319317002	916428175	/nfs/dbraw/zinc/42/81/75/916428175.db2.gz	UIVDDCLQVKHAML-UHFFFAOYSA-N	-1	1	320.305	-1.063	20	0		DAADMM
C[C@@H](CNCc1cc(=O)n2[n-]ccc2n1)N(C)C(=O)C(N)=O	ZINC001319524124	916439570	/nfs/dbraw/zinc/43/95/70/916439570.db2.gz	UDGDRQDXNXAXAA-QMMMGPOBSA-N	-1	1	306.326	-1.556	20	0		DAADMM
CNC(=O)[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)CCO1	ZINC001320101520	916467683	/nfs/dbraw/zinc/46/76/83/916467683.db2.gz	GTLJKVRHZFUICJ-VIFPVBQESA-N	-1	1	310.310	-2.100	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCc1nnnn1CC1CC1	ZINC001320479026	916510717	/nfs/dbraw/zinc/51/07/17/916510717.db2.gz	PUPTVTLXTYMJQW-UHFFFAOYSA-N	-1	1	319.325	-1.360	20	0		DAADMM
CNS(=O)(=O)CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001320590568	916517173	/nfs/dbraw/zinc/51/71/73/916517173.db2.gz	VGQLRUBCCIWIPQ-UHFFFAOYSA-N	-1	1	304.328	-2.408	20	0		DAADMM
COCCO[N-]C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	ZINC001321034299	916542037	/nfs/dbraw/zinc/54/20/37/916542037.db2.gz	BEUDYYJDNONCOB-ZJUUUORDSA-N	-1	1	320.367	-1.284	20	0		DAADMM
CS(=O)(=O)NCCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001321774303	916595838	/nfs/dbraw/zinc/59/58/38/916595838.db2.gz	URGPYVRLDBCJGP-UHFFFAOYSA-N	-1	1	318.355	-2.018	20	0		DAADMM
O=C(c1ccc2nnnn2c1)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001322508829	916638140	/nfs/dbraw/zinc/63/81/40/916638140.db2.gz	GCMKVXZEBDQCKR-QMMMGPOBSA-N	-1	1	301.270	-1.149	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)C(=O)N3CCNC(=O)CC3)ccnc1-2	ZINC001322950985	916681905	/nfs/dbraw/zinc/68/19/05/916681905.db2.gz	AXXNMYLPDFORBI-UHFFFAOYSA-N	-1	1	316.321	-1.371	20	0		DAADMM
COC(=O)c1cccc(NC(=O)C(=O)NN2CC(=O)[N-]C2=O)c1	ZINC001322979957	916685596	/nfs/dbraw/zinc/68/55/96/916685596.db2.gz	AGMHSDFIDVMKJC-UHFFFAOYSA-N	-1	1	320.261	-1.005	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NC[C@H]1CCCS1(=O)=O	ZINC001324671453	916794888	/nfs/dbraw/zinc/79/48/88/916794888.db2.gz	CWMDQPVRBRRPEK-SECBINFHSA-N	-1	1	315.351	-1.380	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CC[C@@]2(CNC(=O)C2)C1	ZINC001324903959	916800908	/nfs/dbraw/zinc/80/09/08/916800908.db2.gz	YYUJVVILDWJZDX-CQSZACIVSA-N	-1	1	306.322	-1.335	20	0		DAADMM
Cc1ccnc(C(=O)N(CCO)CCNCc2n[nH]c(=O)[n-]2)n1	ZINC001326012852	916883399	/nfs/dbraw/zinc/88/33/99/916883399.db2.gz	VUMKSYIJPMIMSD-UHFFFAOYSA-N	-1	1	321.341	-1.167	20	0		DAADMM
O=C(c1csnn1)N(CCO)CCNCc1n[nH]c(=O)[n-]1	ZINC001326066887	916892654	/nfs/dbraw/zinc/89/26/54/916892654.db2.gz	RLWHEFIBNMNTKP-UHFFFAOYSA-N	-1	1	313.343	-1.414	20	0		DAADMM
O=C(Cn1ncnn1)N1CC[C@@H](CCNCc2n[nH]c(=O)[n-]2)C1	ZINC001326273117	916911171	/nfs/dbraw/zinc/91/11/71/916911171.db2.gz	QUENIJBUNCBMHD-SECBINFHSA-N	-1	1	321.345	-1.475	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1	ZINC001327540541	917022065	/nfs/dbraw/zinc/02/20/65/917022065.db2.gz	HGNRRNFDZLVHSZ-UWVGGRQHSA-N	-1	1	312.370	-1.088	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NC1(CCO)CCOCC1	ZINC001328430576	917086725	/nfs/dbraw/zinc/08/67/25/917086725.db2.gz	IYHPOCPKIDSBRW-UHFFFAOYSA-N	-1	1	311.338	-1.026	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N(CCO)CCOCCO	ZINC001329147292	917148063	/nfs/dbraw/zinc/14/80/63/917148063.db2.gz	QVTIIKLJIVFJMA-UHFFFAOYSA-N	-1	1	315.326	-2.244	20	0		DAADMM
COC(=O)[C@@H]1OCC[C@@H]1NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001329384783	917162827	/nfs/dbraw/zinc/16/28/27/917162827.db2.gz	YCEQOEUPDKIDHM-WCBMZHEXSA-N	-1	1	311.294	-1.627	20	0		DAADMM
CSCC[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C(N)=O	ZINC001330126342	917228931	/nfs/dbraw/zinc/22/89/31/917228931.db2.gz	VBPCNLMSIBZRKN-QMMMGPOBSA-N	-1	1	314.367	-1.350	20	0		DAADMM
CO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1CCCCN1C1CC1	ZINC001334279587	917479962	/nfs/dbraw/zinc/47/99/62/917479962.db2.gz	MEGZJMDIHOIYAS-LLVKDONJSA-N	-1	1	312.370	-1.087	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCCc1cc(=O)[nH][nH]1	ZINC001334410202	917486366	/nfs/dbraw/zinc/48/63/66/917486366.db2.gz	UWFUSDWMGVSAJC-UHFFFAOYSA-N	-1	1	307.310	-1.301	20	0		DAADMM
COC(=O)CN(C)CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001337090494	917613237	/nfs/dbraw/zinc/61/32/37/917613237.db2.gz	JKZOXTMDKICJMU-UHFFFAOYSA-N	-1	1	312.326	-1.852	20	0		DAADMM
CN(C[C@@H](O)CN(C)C(=O)c1ncccc1[O-])C(=O)C(N)=O	ZINC001338658136	917701250	/nfs/dbraw/zinc/70/12/50/917701250.db2.gz	GHEBREIWOKSBEN-QMMMGPOBSA-N	-1	1	310.310	-1.836	20	0		DAADMM
CN(CCN1CCOCC1)C(=O)[C@@]1(C(=O)[O-])CNCCO1	ZINC001340959414	917746223	/nfs/dbraw/zinc/74/62/23/917746223.db2.gz	YJNYQPLJPIELIZ-CYBMUJFWSA-N	-1	1	301.343	-1.780	20	0		DAADMM
COC[C@@]1(C)CN(C(=O)[C@@]2(C(=O)[O-])CNCCO2)CCO1	ZINC001342254231	917781662	/nfs/dbraw/zinc/78/16/62/917781662.db2.gz	CYAMPNDROBXHNK-CHWSQXEVSA-N	-1	1	302.327	-1.307	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)C(=O)N[C@H]3CNC(=O)C3)ccnc1-2	ZINC001342426740	917783830	/nfs/dbraw/zinc/78/38/30/917783830.db2.gz	MUYVJQNIFHMMRV-SSDOTTSWSA-N	-1	1	302.294	-1.715	20	0		DAADMM
Cn1[n-]c(COC(=O)CCN2C(=O)NC(C)(C)C2=O)nc1=O	ZINC001342635076	917787046	/nfs/dbraw/zinc/78/70/46/917787046.db2.gz	HZSHNPOUMSVSSG-UHFFFAOYSA-N	-1	1	311.298	-1.128	20	0		DAADMM
CN(CCN1CCOCC1)c1nnc(-c2noc(=O)[n-]2)n1C	ZINC001344342598	917827254	/nfs/dbraw/zinc/82/72/54/917827254.db2.gz	LVYIVJUPNIQBRD-UHFFFAOYSA-N	-1	1	309.330	-1.073	20	0		DAADMM
COC[C@](C)(O)CNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001346494117	917888068	/nfs/dbraw/zinc/88/80/68/917888068.db2.gz	SNSOLWTWRJDIRL-CQSZACIVSA-N	-1	1	321.337	-1.206	20	0		DAADMM
O=C(Nc1ccc2c(c1)OCO2)C(=O)NN1CC(=O)[N-]C1=O	ZINC001346545477	917890955	/nfs/dbraw/zinc/89/09/55/917890955.db2.gz	SYRPUXJIKAYODD-UHFFFAOYSA-N	-1	1	306.234	-1.063	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)C(=O)NCCOCCCO)ccnc1-2	ZINC001346610973	917894435	/nfs/dbraw/zinc/89/44/35/917894435.db2.gz	SNCUJWVXXBNJEV-UHFFFAOYSA-N	-1	1	321.337	-1.205	20	0		DAADMM
Cn1[n-]c(COC(=O)CC2(n3cnnn3)CCOCC2)nc1=O	ZINC001350136448	918049826	/nfs/dbraw/zinc/04/98/26/918049826.db2.gz	OCJCVOHMMAEEGP-UHFFFAOYSA-N	-1	1	323.313	-1.266	20	0		DAADMM
CCCN(C(=O)C(=O)NCC(=O)[N-]OC)[C@@H]1CCN(C)C1	ZINC001351647644	918103163	/nfs/dbraw/zinc/10/31/63/918103163.db2.gz	SKMLJDPWLKCQKZ-SNVBAGLBSA-N	-1	1	300.359	-1.277	20	0		DAADMM
CC(C)C(=O)N1CCN(C(=O)[C@@]2(C(=O)[O-])CNCCO2)CC1	ZINC001356511900	918231701	/nfs/dbraw/zinc/23/17/01/918231701.db2.gz	LKMAOCSODVDXQJ-CQSZACIVSA-N	-1	1	313.354	-1.244	20	0		DAADMM
CC(C)CN1CCN(C(=O)[C@]2(C(=O)[O-])CNCCO2)CC1=O	ZINC001357526716	918298555	/nfs/dbraw/zinc/29/85/55/918298555.db2.gz	VUTJQYSYYBOSSF-AWEZNQCLSA-N	-1	1	313.354	-1.244	20	0		DAADMM
CC(C)CN1CCN(C(=O)[C@@]2(C(=O)[O-])CNCCO2)CC1=O	ZINC001357526717	918299347	/nfs/dbraw/zinc/29/93/47/918299347.db2.gz	VUTJQYSYYBOSSF-CQSZACIVSA-N	-1	1	313.354	-1.244	20	0		DAADMM
O=C([C@H]1CCCS1(=O)=O)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001361785107	918404815	/nfs/dbraw/zinc/40/48/15/918404815.db2.gz	RAVCWDMHHSUZAO-JGVFFNPUSA-N	-1	1	301.328	-1.323	20	0		DAADMM
CC(C)(C)C(=O)NCC(=O)OCCC(=O)NCc1nn[n-]n1	ZINC001361915671	918425311	/nfs/dbraw/zinc/42/53/11/918425311.db2.gz	UEYIWPSRAYPECW-UHFFFAOYSA-N	-1	1	312.330	-1.089	20	0		DAADMM
O=C(CN1CCN(C(=O)CCCc2nn[n-]n2)CC1)NC1CC1	ZINC001362031113	918442052	/nfs/dbraw/zinc/44/20/52/918442052.db2.gz	QCMZEYVTMVGFFL-UHFFFAOYSA-N	-1	1	321.385	-1.055	20	0		DAADMM
CS(=O)(=O)N1CCC[C@H](NC(=O)CCc2nn[n-]n2)C1	ZINC001362149198	918467415	/nfs/dbraw/zinc/46/74/15/918467415.db2.gz	NFHHPKLWZGTLSF-QMMMGPOBSA-N	-1	1	302.360	-1.328	20	0		DAADMM
C[C@H](C(=O)NCc1nn[n-]n1)S(=O)(=O)C1CCOCC1	ZINC001362237926	918483730	/nfs/dbraw/zinc/48/37/30/918483730.db2.gz	PMTMZURNDNCSEL-SSDOTTSWSA-N	-1	1	303.344	-1.202	20	0		DAADMM
O=C(CN1CCOCC1=O)N1CCSC[C@H]1c1nn[n-]n1	ZINC001362368861	918506679	/nfs/dbraw/zinc/50/66/79/918506679.db2.gz	FKQIGABFKOMMRP-QMMMGPOBSA-N	-1	1	312.355	-1.325	20	0		DAADMM
CS(=O)(=O)NCCC(=O)N1CCC[C@H](c2nn[n-]n2)C1	ZINC001362373998	918508239	/nfs/dbraw/zinc/50/82/39/918508239.db2.gz	IOCITGAKPOYSGF-QMMMGPOBSA-N	-1	1	302.360	-1.155	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN2C(=O)NC[C@@H]2C1	ZINC001362384330	918511035	/nfs/dbraw/zinc/51/10/35/918511035.db2.gz	KCDAZDABIRTZJB-ZCFIWIBFSA-N	-1	1	309.282	-1.254	20	0		DAADMM
O=C(CN1CCNC(=O)C1)N1CCSC[C@@H]1c1nn[n-]n1	ZINC001362412790	918516451	/nfs/dbraw/zinc/51/64/51/918516451.db2.gz	WMPJIFMLRCVIKS-MRVPVSSYSA-N	-1	1	311.371	-1.752	20	0		DAADMM
CN1CCN(CC(=O)N2CCC(O)(c3nn[n-]n3)CC2)CC1=O	ZINC001362438660	918521708	/nfs/dbraw/zinc/52/17/08/918521708.db2.gz	UWXIHCDLHOVANL-UHFFFAOYSA-N	-1	1	323.357	-2.216	20	0		DAADMM
CO[C@@]1(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)CCS(=O)(=O)C1	ZINC001362502727	918535134	/nfs/dbraw/zinc/53/51/34/918535134.db2.gz	RLLZYWVKJMJYGB-KCJUWKMLSA-N	-1	1	317.371	-1.035	20	0		DAADMM
CO[C@]1(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)CCS(=O)(=O)C1	ZINC001362502733	918535770	/nfs/dbraw/zinc/53/57/70/918535770.db2.gz	RLLZYWVKJMJYGB-LDYMZIIASA-N	-1	1	317.371	-1.035	20	0		DAADMM
O=C(CN1CCC(=O)NC1=O)N1CCC[C@H](c2nn[n-]n2)C1	ZINC001362534808	918540423	/nfs/dbraw/zinc/54/04/23/918540423.db2.gz	BWGJABDUYABGBW-QMMMGPOBSA-N	-1	1	307.314	-1.152	20	0		DAADMM
CCOC(=O)c1c[n-]c(NC(=O)CNS(=O)(=O)N(C)C)n1	ZINC001362532160	918541873	/nfs/dbraw/zinc/54/18/73/918541873.db2.gz	FMFQAQPRVBMVCF-UHFFFAOYSA-N	-1	1	319.343	-1.079	20	0		DAADMM
CC(=O)NCC(=O)NCC(=O)N1CCC[C@H](c2nn[n-]n2)C1	ZINC001362558600	918545457	/nfs/dbraw/zinc/54/54/57/918545457.db2.gz	AVZNKIUMECRNNM-VIFPVBQESA-N	-1	1	309.330	-1.842	20	0		DAADMM
CCn1nc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)ccc1=O	ZINC001362563759	918549576	/nfs/dbraw/zinc/54/95/76/918549576.db2.gz	SXJOTAWAHCTMGS-UHFFFAOYSA-N	-1	1	319.325	-1.100	20	0		DAADMM
CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)CCc1nn[n-]n1	ZINC001362696381	918580443	/nfs/dbraw/zinc/58/04/43/918580443.db2.gz	SECYPZWZWHJDMH-DTWKUNHWSA-N	-1	1	316.387	-1.034	20	0		DAADMM
CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)CCc1nn[n-]n1	ZINC001362696384	918580689	/nfs/dbraw/zinc/58/06/89/918580689.db2.gz	SECYPZWZWHJDMH-RKDXNWHRSA-N	-1	1	316.387	-1.034	20	0		DAADMM
CS(=O)(=O)CCCC(=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001362730314	918592295	/nfs/dbraw/zinc/59/22/95/918592295.db2.gz	JZLZIWKNSKZHBP-UHFFFAOYSA-N	-1	1	317.371	-1.166	20	0		DAADMM
O=C([C@H]1CCS(=O)(=O)C1)N1CCOC[C@H]1c1nn[n-]n1	ZINC001362747337	918594796	/nfs/dbraw/zinc/59/47/96/918594796.db2.gz	IBTOPHVTJYEZJR-YUMQZZPRSA-N	-1	1	301.328	-1.466	20	0		DAADMM
NS(=O)(=O)C1(C(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)CC1	ZINC001362901678	918637502	/nfs/dbraw/zinc/63/75/02/918637502.db2.gz	CQAXLFPCHCOQTI-MRVPVSSYSA-N	-1	1	314.371	-1.198	20	0		DAADMM
CN1C[C@H](O)C[C@@]1(C)C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC001362898569	918637933	/nfs/dbraw/zinc/63/79/33/918637933.db2.gz	IMYBTFNXTCNFHD-KCJUWKMLSA-N	-1	1	307.372	-1.976	20	0		DAADMM
COC[C@H](NC(=O)CN1CCCCS1(=O)=O)c1nn[n-]n1	ZINC001362905276	918639533	/nfs/dbraw/zinc/63/95/33/918639533.db2.gz	WUURDRUUTYQZAM-QMMMGPOBSA-N	-1	1	318.359	-1.571	20	0		DAADMM
CO[C@]1(CNC(=O)CCc2nn[n-]n2)CCS(=O)(=O)C1	ZINC001362944607	918650998	/nfs/dbraw/zinc/65/09/98/918650998.db2.gz	GTFCMSIJKKYAEO-JTQLQIEISA-N	-1	1	303.344	-1.548	20	0		DAADMM
O=C([C@H]1CCc2nncn2C1)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001363030420	918673397	/nfs/dbraw/zinc/67/33/97/918673397.db2.gz	UOVMRUUBMMTWQR-VIFPVBQESA-N	-1	1	318.341	-1.136	20	0		DAADMM
O=C(CCc1nn[n-]n1)N1CC2(C1)CC(=O)Nc1nccn12	ZINC001363050556	918678890	/nfs/dbraw/zinc/67/88/90/918678890.db2.gz	OTJZKMIQHRPZEQ-UHFFFAOYSA-N	-1	1	302.298	-1.091	20	0		DAADMM
COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCCc1nn[n-]n1	ZINC001363099785	918693462	/nfs/dbraw/zinc/69/34/62/918693462.db2.gz	QHMUOZBYWLBUNY-YUMQZZPRSA-N	-1	1	312.330	-1.295	20	0		DAADMM
CS(=O)(=O)CCCC(=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001363115897	918696997	/nfs/dbraw/zinc/69/69/97/918696997.db2.gz	HBZTUCZVPSATQY-MRVPVSSYSA-N	-1	1	303.344	-1.076	20	0		DAADMM
O=C([C@H]1CCc2nncn2C1)N1CCOC[C@H]1c1nn[n-]n1	ZINC001363203322	918719194	/nfs/dbraw/zinc/71/91/94/918719194.db2.gz	HTIXSULANSEMFH-IUCAKERBSA-N	-1	1	304.314	-1.046	20	0		DAADMM
O=C(CC1CS(=O)(=O)C1)N1CCOC[C@H]1c1nn[n-]n1	ZINC001363205784	918723467	/nfs/dbraw/zinc/72/34/67/918723467.db2.gz	YOCQGYZPMZBKTG-QMMMGPOBSA-N	-1	1	301.328	-1.466	20	0		DAADMM
O=C(CCCc1nn[n-]n1)NC[C@@]12COCCN1C(=O)COC2	ZINC001363261350	918739659	/nfs/dbraw/zinc/73/96/59/918739659.db2.gz	ZHBKGRKLKFVICC-ZDUSSCGKSA-N	-1	1	324.341	-1.734	20	0		DAADMM
O=C(CN1CCS(=O)(=O)CC1)N1CC[C@H](c2nn[n-]n2)C1	ZINC001363304935	918754783	/nfs/dbraw/zinc/75/47/83/918754783.db2.gz	COWXTWGWMXWVJH-VIFPVBQESA-N	-1	1	314.371	-1.754	20	0		DAADMM
CC(C)CN(Cc1nn[n-]n1)C(=O)[C@H]1CCS(=O)(=O)N1	ZINC001363357526	918767647	/nfs/dbraw/zinc/76/76/47/918767647.db2.gz	SJYWJPMQQLMQOT-MRVPVSSYSA-N	-1	1	302.360	-1.124	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1	ZINC001363385112	918772440	/nfs/dbraw/zinc/77/24/40/918772440.db2.gz	VQHUOSUIGXQQAP-RNFRBKRXSA-N	-1	1	324.293	-1.374	20	0		DAADMM
CN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1nn[n-]n1	ZINC001363490831	918801936	/nfs/dbraw/zinc/80/19/36/918801936.db2.gz	QDVJAIBPMHDFBZ-JTQLQIEISA-N	-1	1	323.357	-1.657	20	0		DAADMM
CS(=O)(=O)N[C@H]1CCCN(C(=O)CCc2nn[n-]n2)C1	ZINC001363501602	918806829	/nfs/dbraw/zinc/80/68/29/918806829.db2.gz	NJVJMCZQNGTXGJ-QMMMGPOBSA-N	-1	1	302.360	-1.328	20	0		DAADMM
C[C@H](NS(C)(=O)=O)C(=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001363510475	918810455	/nfs/dbraw/zinc/81/04/55/918810455.db2.gz	FONKUMMFXAEBCB-NKWVEPMBSA-N	-1	1	304.332	-1.963	20	0		DAADMM
C[C@@H](NS(C)(=O)=O)C(=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001363510478	918811165	/nfs/dbraw/zinc/81/11/65/918811165.db2.gz	FONKUMMFXAEBCB-RNFRBKRXSA-N	-1	1	304.332	-1.963	20	0		DAADMM
CSCC[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)c1nn[n-]n1	ZINC001363545017	918823793	/nfs/dbraw/zinc/82/37/93/918823793.db2.gz	XMQJISAIGGRLDW-BQBZGAKWSA-N	-1	1	320.400	-1.198	20	0		DAADMM
CNS(=O)(=O)CC(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1	ZINC001363582748	918835044	/nfs/dbraw/zinc/83/50/44/918835044.db2.gz	KMMINHHSXISNIM-QMMMGPOBSA-N	-1	1	302.360	-1.470	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H](O)[C@@H](O)C2)o1	ZINC001363614101	918844440	/nfs/dbraw/zinc/84/44/40/918844440.db2.gz	VYWIFWOTYHJUAG-RNLVFQAGSA-N	-1	1	304.324	-1.198	20	0		DAADMM
COC1(C(=O)N2CCC(c3nn[n-]n3)CC2)CS(=O)(=O)C1	ZINC001363661493	918851846	/nfs/dbraw/zinc/85/18/46/918851846.db2.gz	PKTFIFMSELZAID-UHFFFAOYSA-N	-1	1	315.355	-1.281	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CC(O)(C(=O)OC)C2)co1	ZINC001363705151	918861936	/nfs/dbraw/zinc/86/19/36/918861936.db2.gz	AUDOOGLSNABZHA-UHFFFAOYSA-N	-1	1	318.307	-1.452	20	0		DAADMM
C[C@@H]1CN(C(=O)CCc2nn[n-]n2)C[C@H]1CS(N)(=O)=O	ZINC001363781524	918877022	/nfs/dbraw/zinc/87/70/22/918877022.db2.gz	RWHVNAGDUXDBME-SFYZADRCSA-N	-1	1	302.360	-1.485	20	0		DAADMM
COC[C@H](CCO)NS(=O)(=O)c1cc(C(=O)OC)n[n-]1	ZINC001363828623	918890989	/nfs/dbraw/zinc/89/09/89/918890989.db2.gz	FIVKNXMYWLFPSO-ZETCQYMHSA-N	-1	1	307.328	-1.128	20	0		DAADMM
COC[C@H](CCO)NS(=O)(=O)c1cc(C(=O)OC)[n-]n1	ZINC001363828623	918891000	/nfs/dbraw/zinc/89/10/00/918891000.db2.gz	FIVKNXMYWLFPSO-ZETCQYMHSA-N	-1	1	307.328	-1.128	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCNC2=O)[n-]n1	ZINC001363843201	918893317	/nfs/dbraw/zinc/89/33/17/918893317.db2.gz	UQRISTTZXHBIAK-SSDOTTSWSA-N	-1	1	302.312	-1.295	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCNC2=O)n[n-]1	ZINC001363843201	918893328	/nfs/dbraw/zinc/89/33/28/918893328.db2.gz	UQRISTTZXHBIAK-SSDOTTSWSA-N	-1	1	302.312	-1.295	20	0		DAADMM
CN(C)S(=O)(=O)N1CCN(C(=O)CCc2nn[n-]n2)CC1	ZINC001363856736	918896954	/nfs/dbraw/zinc/89/69/54/918896954.db2.gz	ITJGQDZNWRGAPX-UHFFFAOYSA-N	-1	1	317.375	-1.917	20	0		DAADMM
COCC[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)C(N)=O	ZINC001363962022	918913266	/nfs/dbraw/zinc/91/32/66/918913266.db2.gz	BRECKZDRZQFTLJ-LWESTGQBSA-N	-1	1	316.405	-1.714	20	0		DAADMM
COC(=O)[C@H]1C[C@@H](S(=O)(=O)[N-][C@](C)(CO)C(=O)OC)C1	ZINC001363929919	918907099	/nfs/dbraw/zinc/90/70/99/918907099.db2.gz	DWKMVZNXNLQDPZ-VHSKPIJISA-N	-1	1	309.340	-1.219	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1COC[C@H]1OC	ZINC001363929350	918907463	/nfs/dbraw/zinc/90/74/63/918907463.db2.gz	DTMPIPLKTPSKRW-HTQZYQBOSA-N	-1	1	305.312	-1.112	20	0		DAADMM
Cn1cnnc1C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001363934538	918908910	/nfs/dbraw/zinc/90/89/10/918908910.db2.gz	RYBHSSDMDYCHOU-UHFFFAOYSA-N	-1	1	300.300	-1.907	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)[n-]n1	ZINC001363942838	918909835	/nfs/dbraw/zinc/90/98/35/918909835.db2.gz	YWOOIBCHCFRRHI-ZCFIWIBFSA-N	-1	1	323.352	-1.338	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)n[n-]1	ZINC001363942838	918909843	/nfs/dbraw/zinc/90/98/43/918909843.db2.gz	YWOOIBCHCFRRHI-ZCFIWIBFSA-N	-1	1	323.352	-1.338	20	0		DAADMM
CSC[C@](C)(O)C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001363952731	918912193	/nfs/dbraw/zinc/91/21/93/918912193.db2.gz	ZNTWHHPEHLMDBD-SNVBAGLBSA-N	-1	1	323.396	-1.122	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@H](CO)[C@@H]2CCOC2)[n-]n1	ZINC001363976694	918919442	/nfs/dbraw/zinc/91/94/42/918919442.db2.gz	WBEGTNIJGGICLM-APPZFPTMSA-N	-1	1	319.339	-1.128	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@H](CO)[C@@H]2CCOC2)n[n-]1	ZINC001363976694	918919451	/nfs/dbraw/zinc/91/94/51/918919451.db2.gz	WBEGTNIJGGICLM-APPZFPTMSA-N	-1	1	319.339	-1.128	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H](CO)[C@H]2CCOC2)[n-]n1	ZINC001363976699	918919911	/nfs/dbraw/zinc/91/99/11/918919911.db2.gz	WBEGTNIJGGICLM-IONNQARKSA-N	-1	1	319.339	-1.128	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H](CO)[C@H]2CCOC2)n[n-]1	ZINC001363976699	918919929	/nfs/dbraw/zinc/91/99/29/918919929.db2.gz	WBEGTNIJGGICLM-IONNQARKSA-N	-1	1	319.339	-1.128	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](O)C2(C)C)c(=O)[nH]c1=O	ZINC001363988372	918923659	/nfs/dbraw/zinc/92/36/59/918923659.db2.gz	MQUUAGMEMVBNBV-HTQZYQBOSA-N	-1	1	303.340	-1.076	20	0		DAADMM
Cc1ncc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)o1	ZINC001363999282	918924675	/nfs/dbraw/zinc/92/46/75/918924675.db2.gz	HAPNGSLSJANTBC-UHFFFAOYSA-N	-1	1	314.323	-1.141	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H](CO)C2CCC2)c(=O)[nH]c1=O	ZINC001364036013	918933996	/nfs/dbraw/zinc/93/39/96/918933996.db2.gz	ZCXUESDWTAVWLD-MRVPVSSYSA-N	-1	1	303.340	-1.075	20	0		DAADMM
C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)c1ncn(C)n1	ZINC001364048831	918938790	/nfs/dbraw/zinc/93/87/90/918938790.db2.gz	IKIQDJYTQREWQI-ZCFIWIBFSA-N	-1	1	314.327	-1.346	20	0		DAADMM
CO[C@@H](CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1O)C(C)C	ZINC001364055257	918939789	/nfs/dbraw/zinc/93/97/89/918939789.db2.gz	VVYVANVYSGGKRO-BBBLOLIVSA-N	-1	1	315.413	-1.265	20	0		DAADMM
CO[C@H](CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1O)C(C)C	ZINC001364055260	918941017	/nfs/dbraw/zinc/94/10/17/918941017.db2.gz	VVYVANVYSGGKRO-OPRDCNLKSA-N	-1	1	315.413	-1.265	20	0		DAADMM
O=C(CCCc1nn[n-]n1)N1CCS(=O)(=O)C[C@@H]1CCO	ZINC001364184782	918958781	/nfs/dbraw/zinc/95/87/81/918958781.db2.gz	WNXHBHFVCOKZGR-VIFPVBQESA-N	-1	1	317.371	-1.470	20	0		DAADMM
CS(=O)(=O)C[C@H]1CN(C(=O)CCc2nn[n-]n2)CCO1	ZINC001364367903	918997903	/nfs/dbraw/zinc/99/79/03/918997903.db2.gz	QUEWEVILCDLQCH-MRVPVSSYSA-N	-1	1	303.344	-1.596	20	0		DAADMM
O=C(C1=C2CCCN=C2NN1)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001364382759	919000750	/nfs/dbraw/zinc/00/07/50/919000750.db2.gz	JXLUJLOAFIFGIN-MRVPVSSYSA-N	-1	1	304.314	-1.346	20	0		DAADMM
NC(=O)c1ccc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)cn1	ZINC001364382756	919002817	/nfs/dbraw/zinc/00/28/17/919002817.db2.gz	JTHXQVITZNMFPR-VIFPVBQESA-N	-1	1	303.282	-1.093	20	0		DAADMM
Nc1nc2nc(CN3CC[C@]4(CNC(=O)C4)C3)cc(=O)n2[n-]1	ZINC001364395920	919006016	/nfs/dbraw/zinc/00/60/16/919006016.db2.gz	GXCKBDVONYHKOP-ZDUSSCGKSA-N	-1	1	303.326	-1.288	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@]3(CCS(=O)(=O)C3)C2)nc1=O	ZINC001364439739	919011415	/nfs/dbraw/zinc/01/14/15/919011415.db2.gz	NCPQIKJZXYMSAB-LLVKDONJSA-N	-1	1	302.356	-1.502	20	0		DAADMM
CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CSCC(=O)N2)n1	ZINC001364483822	919020815	/nfs/dbraw/zinc/02/08/15/919020815.db2.gz	GQKITLBWMGOEAM-BYPYZUCNSA-N	-1	1	305.341	-1.622	20	0		DAADMM
CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CSCC(=O)N2)[n-]1	ZINC001364483822	919020828	/nfs/dbraw/zinc/02/08/28/919020828.db2.gz	GQKITLBWMGOEAM-BYPYZUCNSA-N	-1	1	305.341	-1.622	20	0		DAADMM
CN1CCn2c(CNC(=O)CCc3nn[n-]n3)nnc2C1=O	ZINC001364682103	919052407	/nfs/dbraw/zinc/05/24/07/919052407.db2.gz	FVLOYDVDDNDAMM-UHFFFAOYSA-N	-1	1	305.302	-1.874	20	0		DAADMM
NS(=O)(=O)C1CN(Cc2nc3c(c(=O)[n-]2)COCC3)C1	ZINC001364720881	919055565	/nfs/dbraw/zinc/05/55/65/919055565.db2.gz	DZAIISHYUVZENZ-UHFFFAOYSA-N	-1	1	300.340	-1.272	20	0		DAADMM
CC(C)(C[N-]S(=O)(=O)N=S(C)(C)=O)NS(C)(=O)=O	ZINC001364771612	919062662	/nfs/dbraw/zinc/06/26/62/919062662.db2.gz	ZBFXQGFIFAYGHO-UHFFFAOYSA-N	-1	1	321.446	-1.124	20	0		DAADMM
COC[C@@](C)([N-]S(=O)(=O)N1CCN(C)CC1)C(=O)OC	ZINC001364799341	919068893	/nfs/dbraw/zinc/06/88/93/919068893.db2.gz	QGHUOUXFNMMWSO-LLVKDONJSA-N	-1	1	309.388	-1.354	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCc2cnccn2)c(=O)[nH]c1=O	ZINC001364808639	919070528	/nfs/dbraw/zinc/07/05/28/919070528.db2.gz	HRQCTIBPXGGUBU-UHFFFAOYSA-N	-1	1	311.323	-1.203	20	0		DAADMM
COC[C@](C)([N-]S(=O)(=O)N1CCN(C)CC1)C(=O)OC	ZINC001364799344	919070980	/nfs/dbraw/zinc/07/09/80/919070980.db2.gz	QGHUOUXFNMMWSO-NSHDSACASA-N	-1	1	309.388	-1.354	20	0		DAADMM
CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-][C@H](CO)C(=O)NC	ZINC001364812310	919071446	/nfs/dbraw/zinc/07/14/46/919071446.db2.gz	DBBOYNKGXZDGIZ-BDAKNGLRSA-N	-1	1	310.372	-1.256	20	0		DAADMM
O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@H](Cc2nn[n-]n2)C1	ZINC001364818096	919075224	/nfs/dbraw/zinc/07/52/24/919075224.db2.gz	HVHIMUQILYMHIA-BDAKNGLRSA-N	-1	1	314.371	-1.328	20	0		DAADMM
C[C@@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001364827303	919076101	/nfs/dbraw/zinc/07/61/01/919076101.db2.gz	NHAXWEGMOJCUCJ-HTRCEHHLSA-N	-1	1	316.339	-1.711	20	0		DAADMM
C[C@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001364827326	919077415	/nfs/dbraw/zinc/07/74/15/919077415.db2.gz	NHAXWEGMOJCUCJ-XPUUQOCRSA-N	-1	1	316.339	-1.711	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@]2(O)CCOC2)c(=O)[nH]c1=O	ZINC001364826902	919077645	/nfs/dbraw/zinc/07/76/45/919077645.db2.gz	FLZPGZBCXNRYRM-JTQLQIEISA-N	-1	1	305.312	-2.084	20	0		DAADMM
COC(=O)CN(C)CC[N-]S(=O)(=O)N=S(C)(C)=O	ZINC001364827187	919077858	/nfs/dbraw/zinc/07/78/58/919077858.db2.gz	HHWOKSLXOVQWBK-UHFFFAOYSA-N	-1	1	301.390	-1.347	20	0		DAADMM
COCC[C@H](CO)NS(=O)(=O)c1cc(C(=O)OC)n[n-]1	ZINC001364852692	919083494	/nfs/dbraw/zinc/08/34/94/919083494.db2.gz	AWLQOUZKQZTVQP-SSDOTTSWSA-N	-1	1	307.328	-1.128	20	0		DAADMM
COCC[C@H](CO)NS(=O)(=O)c1cc(C(=O)OC)[n-]n1	ZINC001364852692	919083505	/nfs/dbraw/zinc/08/35/05/919083505.db2.gz	AWLQOUZKQZTVQP-SSDOTTSWSA-N	-1	1	307.328	-1.128	20	0		DAADMM
CNC(=O)C[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)n[n-]1	ZINC001364865157	919086395	/nfs/dbraw/zinc/08/63/95/919086395.db2.gz	NNVJAHFJMBNACG-LURJTMIESA-N	-1	1	304.328	-1.001	20	0		DAADMM
CNC(=O)C[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)[n-]n1	ZINC001364865157	919086413	/nfs/dbraw/zinc/08/64/13/919086413.db2.gz	NNVJAHFJMBNACG-LURJTMIESA-N	-1	1	304.328	-1.001	20	0		DAADMM
CCC[C@H](CCO)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC001364902462	919094288	/nfs/dbraw/zinc/09/42/88/919094288.db2.gz	ZBVFJYKYTOEDLY-SECBINFHSA-N	-1	1	319.383	-1.087	20	0		DAADMM
O=S(=O)(C[C@H]1CCCCO1)[N-][C@@H]1CS(=O)(=O)C[C@H]1O	ZINC001364902336	919095291	/nfs/dbraw/zinc/09/52/91/919095291.db2.gz	YBNZYOGHTJCAOH-OPRDCNLKSA-N	-1	1	313.397	-1.367	20	0		DAADMM
COC(=O)[C@@H](F)C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001364917199	919096334	/nfs/dbraw/zinc/09/63/34/919096334.db2.gz	STHYAYQPKJWKBA-YFKPBYRVSA-N	-1	1	309.275	-1.725	20	0		DAADMM
COC(C)(C)CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1O	ZINC001364927654	919099187	/nfs/dbraw/zinc/09/91/87/919099187.db2.gz	MEHAVMVSHGNTTL-HTQZYQBOSA-N	-1	1	301.386	-1.511	20	0		DAADMM
COC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001364926930	919099623	/nfs/dbraw/zinc/09/96/23/919099623.db2.gz	BWWAUYOJMCKETH-ZCFIWIBFSA-N	-1	1	305.312	-1.284	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@]2(C)CCNC2=O)c(=O)n(C)c1=O	ZINC001364942743	919102266	/nfs/dbraw/zinc/10/22/66/919102266.db2.gz	LFTLWTWRPSJMOX-LLVKDONJSA-N	-1	1	316.339	-2.359	20	0		DAADMM
COC(=O)[C@H]1C[C@H]1C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001364939208	919103454	/nfs/dbraw/zinc/10/34/54/919103454.db2.gz	MFRXIARCZOCZNJ-ZJUUUORDSA-N	-1	1	323.353	-1.438	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)Cn3ncnn3)CC2)nc1=O	ZINC001364949279	919107138	/nfs/dbraw/zinc/10/71/38/919107138.db2.gz	WLEJXGPWYXSCNC-UHFFFAOYSA-N	-1	1	307.318	-2.561	20	0		DAADMM
COC(=O)[C@@H]1CC[C@@H]1[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001364975392	919108923	/nfs/dbraw/zinc/10/89/23/919108923.db2.gz	NFGLRTSEADJAKE-RQJHMYQMSA-N	-1	1	317.323	-1.284	20	0		DAADMM
Cc1nnc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[nH]1	ZINC001364990736	919113047	/nfs/dbraw/zinc/11/30/47/919113047.db2.gz	NKQFFYAYDJFOPV-UHFFFAOYSA-N	-1	1	314.327	-2.011	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCN(CCO)CC2)[n-]n1	ZINC001365017547	919116007	/nfs/dbraw/zinc/11/60/07/919116007.db2.gz	YOORJJOVYSIPKC-UHFFFAOYSA-N	-1	1	318.355	-1.505	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCN(CCO)CC2)n[n-]1	ZINC001365017547	919116016	/nfs/dbraw/zinc/11/60/16/919116016.db2.gz	YOORJJOVYSIPKC-UHFFFAOYSA-N	-1	1	318.355	-1.505	20	0		DAADMM
COC(=O)[C@@]1([N-]S(=O)(=O)N2CCN(C)CC2)CCOC1	ZINC001365131063	919128130	/nfs/dbraw/zinc/12/81/30/919128130.db2.gz	HFMOOLAGODEBDM-LLVKDONJSA-N	-1	1	307.372	-1.600	20	0		DAADMM
CN1CC[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)C1=O	ZINC001365373278	919166690	/nfs/dbraw/zinc/16/66/90/919166690.db2.gz	ABKVGVMBQSYZOK-LURJTMIESA-N	-1	1	302.312	-2.005	20	0		DAADMM
CNC(=O)[C@H](O)C[N-]S(=O)(=O)Cc1noc(C2CC2)n1	ZINC001365381749	919170155	/nfs/dbraw/zinc/17/01/55/919170155.db2.gz	LJHVTFSHBFPLAC-SSDOTTSWSA-N	-1	1	304.328	-1.527	20	0		DAADMM
CNC(=O)[C@H](CO)NS(=O)(=O)c1cc(OC)ccc1[O-]	ZINC001365381197	919170184	/nfs/dbraw/zinc/17/01/84/919170184.db2.gz	RFHLBUKGPSKWLA-QMMMGPOBSA-N	-1	1	304.324	-1.214	20	0		DAADMM
Cn1ccc(CC[N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)n1	ZINC001365391149	919173900	/nfs/dbraw/zinc/17/39/00/919173900.db2.gz	WBCGMSJOCSVLKG-UHFFFAOYSA-N	-1	1	313.339	-1.260	20	0		DAADMM
COC[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)OC)C(=O)OC	ZINC001365383877	919173938	/nfs/dbraw/zinc/17/39/38/919173938.db2.gz	REBAHHAYZJFQPX-SSDOTTSWSA-N	-1	1	321.311	-1.337	20	0		DAADMM
COCC[C@@H](COC)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001365412140	919176140	/nfs/dbraw/zinc/17/61/40/919176140.db2.gz	CLEFQBQWRYNZNB-QMMMGPOBSA-N	-1	1	321.355	-1.184	20	0		DAADMM
CN1CCN(CCCS(=O)(=O)NCc2nc(=O)o[n-]2)CC1	ZINC001365413362	919178417	/nfs/dbraw/zinc/17/84/17/919178417.db2.gz	NGGGGLDQGPCTSG-UHFFFAOYSA-N	-1	1	319.387	-1.580	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2CCOC[C@H]2O)c(=O)n(C)c1=O	ZINC001365455712	919189877	/nfs/dbraw/zinc/18/98/77/919189877.db2.gz	JBTYFOWKPJWPBR-HTQZYQBOSA-N	-1	1	319.339	-2.488	20	0		DAADMM
CS(=O)(=O)C[C@@H](O)C[N-]S(=O)(=O)c1c[nH]nc1Cl	ZINC001365467865	919192070	/nfs/dbraw/zinc/19/20/70/919192070.db2.gz	MIMGJRKTRRYSQJ-YFKPBYRVSA-N	-1	1	317.776	-1.253	20	0		DAADMM
COC[C@](C)(O)C[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C	ZINC001365661120	919213499	/nfs/dbraw/zinc/21/34/99/919213499.db2.gz	YQRFSZCUDLHNFB-CQLKUDPESA-N	-1	1	303.406	-1.207	20	0		DAADMM
CCOC(=O)CC[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001365679401	919215685	/nfs/dbraw/zinc/21/56/85/919215685.db2.gz	ARNSGIIEBMREDN-UHFFFAOYSA-N	-1	1	305.312	-1.283	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](CO)[C@H]1CCOC1	ZINC001365686209	919218276	/nfs/dbraw/zinc/21/82/76/919218276.db2.gz	AIWJFXXNCWDBKB-CBAPKCEASA-N	-1	1	319.339	-1.128	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](CO)[C@H]1CCOC1	ZINC001365686210	919218643	/nfs/dbraw/zinc/21/86/43/919218643.db2.gz	AIWJFXXNCWDBKB-IONNQARKSA-N	-1	1	319.339	-1.128	20	0		DAADMM
CNS(=O)(=O)CC[N-]S(=O)(=O)c1csnc1OC	ZINC001365700991	919220112	/nfs/dbraw/zinc/22/01/12/919220112.db2.gz	CBUHANJQFMAACM-UHFFFAOYSA-N	-1	1	315.398	-1.021	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@@H]3COC[C@H](C2)O3)[n-]n1	ZINC001365702478	919220295	/nfs/dbraw/zinc/22/02/95/919220295.db2.gz	VHLAYTAXWLBUFO-OCAPTIKFSA-N	-1	1	317.323	-1.015	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@@H]3COC[C@H](C2)O3)n[n-]1	ZINC001365702478	919220305	/nfs/dbraw/zinc/22/03/05/919220305.db2.gz	VHLAYTAXWLBUFO-OCAPTIKFSA-N	-1	1	317.323	-1.015	20	0		DAADMM
COC(=O)CNC(=O)C[N-]S(=O)(=O)c1cc(OC)ns1	ZINC001365703121	919220416	/nfs/dbraw/zinc/22/04/16/919220416.db2.gz	POHCTDPCHLCTHE-UHFFFAOYSA-N	-1	1	323.352	-1.281	20	0		DAADMM
CNC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc1noc(C2CC2)n1	ZINC001365698670	919220794	/nfs/dbraw/zinc/22/07/94/919220794.db2.gz	JOLZWGJLBYKGHK-SSDOTTSWSA-N	-1	1	304.328	-1.527	20	0		DAADMM
CCN1C[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)CC1=O	ZINC001365708744	919222561	/nfs/dbraw/zinc/22/25/61/919222561.db2.gz	YAYRKRGZMTTZHZ-ZETCQYMHSA-N	-1	1	316.339	-1.615	20	0		DAADMM
CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC	ZINC001365707142	919223263	/nfs/dbraw/zinc/22/32/63/919223263.db2.gz	PJDIFDVSOUDLOK-ZCFIWIBFSA-N	-1	1	304.328	-1.001	20	0		DAADMM
CN(C)S(=O)(=O)CCS(=O)(=O)[N-][C@H]1CCOC1=O	ZINC001365717129	919227418	/nfs/dbraw/zinc/22/74/18/919227418.db2.gz	YACCAWTVCNEEGI-ZETCQYMHSA-N	-1	1	300.358	-1.887	20	0		DAADMM
COC(=O)[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)[C@@H]1COC[C@H]1O	ZINC001365735275	919231051	/nfs/dbraw/zinc/23/10/51/919231051.db2.gz	NQRVQUPUTOMDQF-LMLFDSFASA-N	-1	1	323.367	-1.224	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001365938670	919250284	/nfs/dbraw/zinc/25/02/84/919250284.db2.gz	OKMHVNHMEVITTI-KOLCDFICSA-N	-1	1	324.385	-1.286	20	0		DAADMM
O=C(NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ncn[nH]1	ZINC001365960013	919253798	/nfs/dbraw/zinc/25/37/98/919253798.db2.gz	BPFIDUMVOQYENT-UHFFFAOYSA-N	-1	1	321.345	-1.824	20	0		DAADMM
O=C(NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1nc[nH]n1	ZINC001365960013	919253812	/nfs/dbraw/zinc/25/38/12/919253812.db2.gz	BPFIDUMVOQYENT-UHFFFAOYSA-N	-1	1	321.345	-1.824	20	0		DAADMM
C[C@H](C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1)n1cncn1	ZINC001366525429	919339931	/nfs/dbraw/zinc/33/99/31/919339931.db2.gz	HLDKOUSGCOAKJI-SECBINFHSA-N	-1	1	308.346	-1.491	20	0		DAADMM
CN(CCNC(=O)[C@@]1(C)CCNC(=O)C1)Cc1nc(=O)n(C)[n-]1	ZINC001366537923	919342403	/nfs/dbraw/zinc/34/24/03/919342403.db2.gz	DKWRIWKJEDHTOK-AWEZNQCLSA-N	-1	1	324.385	-1.427	20	0		DAADMM
COc1cnc(C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)nc1	ZINC001366548329	919343302	/nfs/dbraw/zinc/34/33/02/919343302.db2.gz	SYUXBUHPWVENFJ-UHFFFAOYSA-N	-1	1	321.341	-1.231	20	0		DAADMM
CN(CCNC(=O)c1cn[nH]c(=O)c1)Cc1nc(=O)n(C)[n-]1	ZINC001366539026	919344408	/nfs/dbraw/zinc/34/44/08/919344408.db2.gz	MKAILARHZAAQNI-UHFFFAOYSA-N	-1	1	307.314	-1.534	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CCCN1Cc1nc(=O)n(C)[n-]1	ZINC001366660142	919361046	/nfs/dbraw/zinc/36/10/46/919361046.db2.gz	LRVJBLKZHDHHTA-UWVGGRQHSA-N	-1	1	324.385	-1.300	20	0		DAADMM
CC(=O)NCC(=O)N1CC[C@H](CN(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001366862834	919384146	/nfs/dbraw/zinc/38/41/46/919384146.db2.gz	SCKHZNRRNPMLTN-SNVBAGLBSA-N	-1	1	310.358	-1.073	20	0		DAADMM
CC(=O)NCC(=O)N1CC[C@@H](CN(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001366862783	919387663	/nfs/dbraw/zinc/38/76/63/919387663.db2.gz	SCKHZNRRNPMLTN-JTQLQIEISA-N	-1	1	310.358	-1.073	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)CCn3cccn3)C2)nc1=O	ZINC001366956999	919408920	/nfs/dbraw/zinc/40/89/20/919408920.db2.gz	DNTMRUYBIZJAND-UHFFFAOYSA-N	-1	1	319.369	-1.057	20	0		DAADMM
C[C@H](C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1)n1cncn1	ZINC001366963043	919409141	/nfs/dbraw/zinc/40/91/41/919409141.db2.gz	ODMSWRVOENWSRZ-SECBINFHSA-N	-1	1	320.357	-1.491	20	0		DAADMM
CN(CCN(C)C(=O)[C@@H]1CC(=O)N(C)C1)Cc1nc(=O)n(C)[n-]1	ZINC001367522232	919473796	/nfs/dbraw/zinc/47/37/96/919473796.db2.gz	VUEZZHZNTWPBEZ-SNVBAGLBSA-N	-1	1	324.385	-1.523	20	0		DAADMM
C[C@H](CNCc1ccn(C)n1)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001367680068	919553809	/nfs/dbraw/zinc/55/38/09/919553809.db2.gz	DYPSZXPBYAJRFC-SSDOTTSWSA-N	-1	1	307.314	-1.076	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cc(=O)n(C)cn1	ZINC001367738967	919562799	/nfs/dbraw/zinc/56/27/99/919562799.db2.gz	WSFHKYFIIXUKFU-ZETCQYMHSA-N	-1	1	307.314	-1.488	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)CCn1ccnn1	ZINC001367798045	919575656	/nfs/dbraw/zinc/57/56/56/919575656.db2.gz	CCMLLITYMHNQRW-SNVBAGLBSA-N	-1	1	322.373	-1.273	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001367929723	919589077	/nfs/dbraw/zinc/58/90/77/919589077.db2.gz	HEFDGJJRUOZXSA-SCZZXKLOSA-N	-1	1	310.358	-1.677	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)Cc2nc[nH]n2)nc1=O	ZINC001367970077	919597795	/nfs/dbraw/zinc/59/77/95/919597795.db2.gz	RBFGKMKDQZMPAZ-QMMMGPOBSA-N	-1	1	306.330	-1.840	20	0		DAADMM
CC(=O)N(C)CC(=O)N[C@@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001368145284	919617057	/nfs/dbraw/zinc/61/70/57/919617057.db2.gz	UZBOCBZZYZPFPK-AWEZNQCLSA-N	-1	1	324.385	-1.333	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C	ZINC001368784530	919773946	/nfs/dbraw/zinc/77/39/46/919773946.db2.gz	XUIASYUUSFQNBS-BBBLOLIVSA-N	-1	1	324.385	-1.301	20	0		DAADMM
COCC(=O)N1CCC(N(CCO)Cc2n[nH]c(=O)[n-]2)CC1	ZINC001368831802	919777223	/nfs/dbraw/zinc/77/72/23/919777223.db2.gz	HYMRROHTBIANFT-UHFFFAOYSA-N	-1	1	313.358	-1.058	20	0		DAADMM
O=C(NC1(CCO)CN([C@@H]2CCNC2=O)C1)c1ncccc1[O-]	ZINC001369018673	919798189	/nfs/dbraw/zinc/79/81/89/919798189.db2.gz	SWAMEJZWDWIHBF-SNVBAGLBSA-N	-1	1	320.349	-1.158	20	0		DAADMM
Cn1[n-]c(CN2CC(CCO)(NC(=O)c3ccn[nH]3)C2)nc1=O	ZINC001369022408	919801123	/nfs/dbraw/zinc/80/11/23/919801123.db2.gz	PFMNNMUKAVAQKQ-UHFFFAOYSA-N	-1	1	321.341	-1.802	20	0		DAADMM
CC(=O)N(C)CC(=O)N[C@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001369080493	919813521	/nfs/dbraw/zinc/81/35/21/919813521.db2.gz	QEVIEJVLIDSQKD-SECBINFHSA-N	-1	1	324.385	-1.477	20	0		DAADMM
CO[C@@H](C)C(=O)NC[C@H](CO)NCc1cc(=O)n2[n-]ccc2n1	ZINC001369310125	919845369	/nfs/dbraw/zinc/84/53/69/919845369.db2.gz	RBUYLHLAUSTYTJ-GXSJLCMTSA-N	-1	1	323.353	-1.376	20	0		DAADMM
CCS(=O)(=O)CC(=O)N(C)C[C@@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001369315887	919849828	/nfs/dbraw/zinc/84/98/28/919849828.db2.gz	VGPUBESERAPESA-MRVPVSSYSA-N	-1	1	319.387	-1.119	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)C2CCOCC2)nc1=O	ZINC001369314311	919850782	/nfs/dbraw/zinc/85/07/82/919850782.db2.gz	WGGDTOHJYFDROG-SNVBAGLBSA-N	-1	1	313.358	-1.898	20	0		DAADMM
CCS(=O)(=O)CC(=O)N(C)C[C@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001369315888	919850863	/nfs/dbraw/zinc/85/08/63/919850863.db2.gz	VGPUBESERAPESA-QMMMGPOBSA-N	-1	1	319.387	-1.119	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)c2ccncc2F)nc1=O	ZINC001369322293	919858465	/nfs/dbraw/zinc/85/84/65/919858465.db2.gz	REDFJZNORFKOKG-QMMMGPOBSA-N	-1	1	324.316	-1.477	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)[C@H]2CCC2(F)F)nc1=O	ZINC001369327031	919860184	/nfs/dbraw/zinc/86/01/84/919860184.db2.gz	HRZCAXOAGPSTLZ-HTQZYQBOSA-N	-1	1	319.312	-1.280	20	0		DAADMM
CS[C@H](C)CC(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001369325152	919862135	/nfs/dbraw/zinc/86/21/35/919862135.db2.gz	TYOBDSJLLSOXQE-RKDXNWHRSA-N	-1	1	317.415	-1.183	20	0		DAADMM
O=C(NC[C@@H](CO)NC/C=C\Cl)c1n[nH]c(=O)[n-]c1=O	ZINC001369346434	919886424	/nfs/dbraw/zinc/88/64/24/919886424.db2.gz	ULEZMNVURZFJTK-UDIFJAKLSA-N	-1	1	303.706	-1.284	20	0		DAADMM
O=C(NC[C@H](CO)NC/C=C\Cl)c1n[nH]c(=O)[n-]c1=O	ZINC001369346427	919888349	/nfs/dbraw/zinc/88/83/49/919888349.db2.gz	ULEZMNVURZFJTK-KERABAKMSA-N	-1	1	303.706	-1.284	20	0		DAADMM
CCn1ccc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)n1	ZINC001369361266	919897623	/nfs/dbraw/zinc/89/76/23/919897623.db2.gz	IIYASBIBXUASHQ-SECBINFHSA-N	-1	1	323.357	-1.795	20	0		DAADMM
O=C(CCc1c[nH]nn1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001370012779	920030140	/nfs/dbraw/zinc/03/01/40/920030140.db2.gz	FWFVJEIIRZFQNX-VIFPVBQESA-N	-1	1	306.330	-1.048	20	0		DAADMM
O=C(CCc1cnn[nH]1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001370012779	920030155	/nfs/dbraw/zinc/03/01/55/920030155.db2.gz	FWFVJEIIRZFQNX-VIFPVBQESA-N	-1	1	306.330	-1.048	20	0		DAADMM
C[C@@H](CNC(=O)[C@H](C)CS(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001371476237	920266834	/nfs/dbraw/zinc/26/68/34/920266834.db2.gz	SVKXGWMHKQOTBP-SFYZADRCSA-N	-1	1	319.387	-1.215	20	0		DAADMM
CN(CCNC(=O)Cc1ccn(C)n1)Cc1nc(=O)n(C)[n-]1	ZINC001371962339	920313118	/nfs/dbraw/zinc/31/31/18/920313118.db2.gz	HVBVYIYRQXAKRQ-UHFFFAOYSA-N	-1	1	307.358	-1.367	20	0		DAADMM
CN(CCNC(=O)c1c[nH]c(=O)cn1)Cc1nc(=O)n(C)[n-]1	ZINC001372092513	920336392	/nfs/dbraw/zinc/33/63/92/920336392.db2.gz	PIDPNPLOYFEMKW-UHFFFAOYSA-N	-1	1	307.314	-1.947	20	0		DAADMM
CCN(CCNC(=O)[C@H]1CCCC(=O)N1)Cc1nc(=O)n(C)[n-]1	ZINC001372365659	920367380	/nfs/dbraw/zinc/36/73/80/920367380.db2.gz	ZTHMIQJCNMRKKH-SNVBAGLBSA-N	-1	1	324.385	-1.285	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN1Cc1nc(=O)n(C)[n-]1	ZINC001372491312	920375910	/nfs/dbraw/zinc/37/59/10/920375910.db2.gz	LWIAEUKOWKQEIB-KOLCDFICSA-N	-1	1	324.385	-1.286	20	0		DAADMM
CO[C@@H](C)C(=O)NC[C@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001372801827	920416655	/nfs/dbraw/zinc/41/66/55/920416655.db2.gz	QFMYMSAILORUMO-YUMQZZPRSA-N	-1	1	322.325	-1.313	20	0		DAADMM
CO[C@@H](C)C(=O)NC[C@@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001372801823	920417567	/nfs/dbraw/zinc/41/75/67/920417567.db2.gz	QFMYMSAILORUMO-SFYZADRCSA-N	-1	1	322.325	-1.313	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CCc3ccncn3)C2)nc1=O	ZINC001373430682	920494445	/nfs/dbraw/zinc/49/44/45/920494445.db2.gz	GRMIMXIDKNIRKK-UHFFFAOYSA-N	-1	1	317.353	-1.168	20	0		DAADMM
CNC(=O)NCC(=O)NCCN(C)C(=O)c1ncccc1[O-]	ZINC001373490970	920507088	/nfs/dbraw/zinc/50/70/88/920507088.db2.gz	JFGPMZFANVRNOP-UHFFFAOYSA-N	-1	1	309.326	-1.096	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)Cn3ncnn3)C2)nc1=O	ZINC001373509773	920514702	/nfs/dbraw/zinc/51/47/02/920514702.db2.gz	WXVBJYBQSKQEHJ-UHFFFAOYSA-N	-1	1	307.318	-2.657	20	0		DAADMM
CN(CCNC(=O)c1nnn(C)n1)C(=O)c1ncccc1[O-]	ZINC001373614211	920538643	/nfs/dbraw/zinc/53/86/43/920538643.db2.gz	HMAUIGZULIDWNQ-UHFFFAOYSA-N	-1	1	305.298	-1.187	20	0		DAADMM
Cc1cnn(CC(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)c1	ZINC001374035802	920576526	/nfs/dbraw/zinc/57/65/26/920576526.db2.gz	IPRBTZOYYZFSRG-UHFFFAOYSA-N	-1	1	319.369	-1.042	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)c3cnns3)CC2)nc1=O	ZINC001374037933	920576858	/nfs/dbraw/zinc/57/68/58/920576858.db2.gz	WJLQGIRWYXIDKQ-UHFFFAOYSA-N	-1	1	309.355	-1.082	20	0		DAADMM
Cn1ncc(C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)c1N	ZINC001374065977	920579195	/nfs/dbraw/zinc/57/91/95/920579195.db2.gz	PHBUMFMOHQHIDY-UHFFFAOYSA-N	-1	1	320.357	-1.618	20	0		DAADMM
C[C@@H](C(=O)N(C)CCN(C)Cc1nc(=O)n(C)[n-]1)n1cncn1	ZINC001374485563	920608628	/nfs/dbraw/zinc/60/86/28/920608628.db2.gz	LLKPFBKEGFXDDY-JTQLQIEISA-N	-1	1	322.373	-1.149	20	0		DAADMM
C[C@@H](CNCc1cnns1)NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001374964016	920733064	/nfs/dbraw/zinc/73/30/64/920733064.db2.gz	HVKVLJVMCTZAAC-LURJTMIESA-N	-1	1	313.343	-1.165	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)C1=COCCO1	ZINC001374991462	920736460	/nfs/dbraw/zinc/73/64/60/920736460.db2.gz	JTJDXVDVXZFRLU-SECBINFHSA-N	-1	1	311.342	-1.067	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)Cn2cnnn2)nc1=O	ZINC001375294113	920763078	/nfs/dbraw/zinc/76/30/78/920763078.db2.gz	MTMVDNLGQHMXCW-QMMMGPOBSA-N	-1	1	307.318	-2.514	20	0		DAADMM
CNC(=O)NCC(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001375314697	920767829	/nfs/dbraw/zinc/76/78/29/920767829.db2.gz	NRDCXTRWTYPZIU-QMMMGPOBSA-N	-1	1	311.346	-2.272	20	0		DAADMM
CCC(=O)NCC(=O)N[C@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001375821672	920808585	/nfs/dbraw/zinc/80/85/85/920808585.db2.gz	QKBRAJSJJUHWDU-CQSZACIVSA-N	-1	1	324.385	-1.285	20	0		DAADMM
COC(=O)NCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001376124996	920864801	/nfs/dbraw/zinc/86/48/01/920864801.db2.gz	XQCAAHVJNHCEBB-MRVPVSSYSA-N	-1	1	312.330	-1.845	20	0		DAADMM
CCN1CCOC[C@@H]1C(=O)NC[C@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001376763595	921026163	/nfs/dbraw/zinc/02/61/63/921026163.db2.gz	VDCOUESPVPANMN-VHSXEESVSA-N	-1	1	312.374	-1.175	20	0		DAADMM
CN1C[C@H](C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CCC2)NC1=O	ZINC001376770414	921028334	/nfs/dbraw/zinc/02/83/34/921028334.db2.gz	OXTNGZGKULDXOO-MRVPVSSYSA-N	-1	1	323.357	-1.338	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)Cn2ncnn2)nc1=O	ZINC001377387939	921814047	/nfs/dbraw/zinc/81/40/47/921814047.db2.gz	ILOVUWOEDMQMIF-SECBINFHSA-N	-1	1	321.345	-2.124	20	0		DAADMM
CCC(=O)NCC(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001377958346	921890005	/nfs/dbraw/zinc/89/00/05/921890005.db2.gz	AOKWKQLGDQBJGW-UHFFFAOYSA-N	-1	1	310.358	-1.817	20	0		DAADMM
C[C@H](CNC(=O)CCn1ccnn1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001378040893	921905090	/nfs/dbraw/zinc/90/50/90/921905090.db2.gz	XQAVGJWIVWVJCS-SNVBAGLBSA-N	-1	1	322.373	-1.273	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)c1c[nH]c(=O)cn1	ZINC001378815157	922013123	/nfs/dbraw/zinc/01/31/23/922013123.db2.gz	UAKSNBXXWWGXEW-SSDOTTSWSA-N	-1	1	307.314	-1.156	20	0		DAADMM
CN(CCN(C)C(=O)c1c[nH]c(=O)n1C)Cc1nc(=O)n(C)[n-]1	ZINC001379086651	922033241	/nfs/dbraw/zinc/03/32/41/922033241.db2.gz	YQXIQHIEUAIDGA-UHFFFAOYSA-N	-1	1	323.357	-1.249	20	0		DAADMM
CCO[C@@H](C)C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001379355721	922128908	/nfs/dbraw/zinc/12/89/08/922128908.db2.gz	BQHHSAYMSDYOGC-IUCAKERBSA-N	-1	1	301.347	-1.900	20	0		DAADMM
CCO[C@@H](C)C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001379355716	922130237	/nfs/dbraw/zinc/13/02/37/922130237.db2.gz	BQHHSAYMSDYOGC-DTWKUNHWSA-N	-1	1	301.347	-1.900	20	0		DAADMM
CS[C@H](C)C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001379359668	922133333	/nfs/dbraw/zinc/13/33/33/922133333.db2.gz	ICKIPCXCTQEBHE-SFYZADRCSA-N	-1	1	303.388	-1.573	20	0		DAADMM
COC[C@@H](C)C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001379361187	922134274	/nfs/dbraw/zinc/13/42/74/922134274.db2.gz	IQBIQOCVCDRQDE-RKDXNWHRSA-N	-1	1	301.347	-2.042	20	0		DAADMM
CC(C)S(=O)(=O)CC(=O)N[C@H](C)CNCc1n[nH]c(=O)[n-]1	ZINC001379468819	922186912	/nfs/dbraw/zinc/18/69/12/922186912.db2.gz	XFNXVPGFFZEMRK-MRVPVSSYSA-N	-1	1	319.387	-1.072	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@H]1CNC(=O)N1	ZINC001379721894	922243319	/nfs/dbraw/zinc/24/33/19/922243319.db2.gz	HBDNASHJKFCZEV-JGVFFNPUSA-N	-1	1	311.346	-2.274	20	0		DAADMM
Cn1cc(CC(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)cn1	ZINC001379954494	922301348	/nfs/dbraw/zinc/30/13/48/922301348.db2.gz	OYVKUWUDZNJPFD-NSHDSACASA-N	-1	1	319.369	-1.225	20	0		DAADMM
O=C(CCc1nc[nH]n1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001379966708	922306343	/nfs/dbraw/zinc/30/63/43/922306343.db2.gz	XYJRCOXVNRTGQG-MRVPVSSYSA-N	-1	1	306.330	-1.048	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](O)(CNC(=O)CC3CC3)C2)nc1=O	ZINC001380522260	922368965	/nfs/dbraw/zinc/36/89/65/922368965.db2.gz	RAALZLQTULXZNY-CQSZACIVSA-N	-1	1	309.370	-1.039	20	0		DAADMM
C[C@H](CNC(=O)CNC(=O)C1CC1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001381488844	922531709	/nfs/dbraw/zinc/53/17/09/922531709.db2.gz	HCEIZGIGVQOCBR-SECBINFHSA-N	-1	1	324.385	-1.429	20	0		DAADMM
C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001381540215	922536762	/nfs/dbraw/zinc/53/67/62/922536762.db2.gz	JWRXGXVUOFIPDC-NXEZZACHSA-N	-1	1	324.385	-1.429	20	0		DAADMM
C[C@H](CNC(=O)CCCC(N)=O)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001381638263	922539180	/nfs/dbraw/zinc/53/91/80/922539180.db2.gz	NPUVRHQYNPJXKC-SECBINFHSA-N	-1	1	312.374	-1.300	20	0		DAADMM
Cn1[n-]c(CN2CC(CCO)(NC(=O)CC3CC3)C2)nc1=O	ZINC001381627033	922540168	/nfs/dbraw/zinc/54/01/68/922540168.db2.gz	FVAFKMNJEQMWMO-UHFFFAOYSA-N	-1	1	309.370	-1.039	20	0		DAADMM
C[C@H](CN(C)C(=O)Cn1ncn(C)c1=O)NCc1n[nH]c(=O)[n-]1	ZINC001382103968	922584285	/nfs/dbraw/zinc/58/42/85/922584285.db2.gz	UURRYUKBYBNNFX-MRVPVSSYSA-N	-1	1	324.345	-1.958	20	0		DAADMM
CCn1cc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)cn1	ZINC001382198796	922611496	/nfs/dbraw/zinc/61/14/96/922611496.db2.gz	ZGKRKLQAPQKBEZ-JTQLQIEISA-N	-1	1	323.357	-1.795	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)C2(C3CC3)CC2)nc1=O	ZINC001382217940	922625014	/nfs/dbraw/zinc/62/50/14/922625014.db2.gz	YEGXDGCGMRNQQP-SNVBAGLBSA-N	-1	1	309.370	-1.135	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)CCn2cccc2)nc1=O	ZINC001382251249	922645790	/nfs/dbraw/zinc/64/57/90/922645790.db2.gz	HGUZAGQOBVTROI-NSHDSACASA-N	-1	1	322.369	-1.433	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1cccnn1	ZINC001382421473	922741662	/nfs/dbraw/zinc/74/16/62/922741662.db2.gz	BBEAYSUNYPEKPT-MRVPVSSYSA-N	-1	1	307.314	-1.477	20	0		DAADMM
CCOCC(=O)NC[C@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001386150114	923235165	/nfs/dbraw/zinc/23/51/65/923235165.db2.gz	NBMPLDXHROEWFG-QMMMGPOBSA-N	-1	1	322.325	-1.311	20	0		DAADMM
CCOCC(=O)NC[C@@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001386150113	923235341	/nfs/dbraw/zinc/23/53/41/923235341.db2.gz	NBMPLDXHROEWFG-MRVPVSSYSA-N	-1	1	322.325	-1.311	20	0		DAADMM
C[C@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@@H]1CNC(=O)N1	ZINC001388431698	923480718	/nfs/dbraw/zinc/48/07/18/923480718.db2.gz	DZEMWKUTRYQFJC-IUCAKERBSA-N	-1	1	321.337	-1.049	20	0		DAADMM
C[C@@H]1[C@@H](NC(=O)CCCC(N)=O)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001388826802	923504318	/nfs/dbraw/zinc/50/43/18/923504318.db2.gz	IFBZFJVQYAUUFY-ZJUUUORDSA-N	-1	1	324.385	-1.157	20	0		DAADMM
C[C@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)NC(=O)C(F)F	ZINC001389124676	923566736	/nfs/dbraw/zinc/56/67/36/923566736.db2.gz	BSRDWUUFQXSSBS-RXMQYKEDSA-N	-1	1	314.252	-1.083	20	0		DAADMM
CNC(=O)NCC(=O)NC[C@H](C)NC(=O)c1ncccc1[O-]	ZINC001389327238	923603423	/nfs/dbraw/zinc/60/34/23/923603423.db2.gz	JICILTLJMSLVKT-QMMMGPOBSA-N	-1	1	309.326	-1.049	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)CS(C)(=O)=O)C2)nc1=O	ZINC001389454526	923628459	/nfs/dbraw/zinc/62/84/59/923628459.db2.gz	OKVYMDSQLCXNPY-MRVPVSSYSA-N	-1	1	317.371	-2.157	20	0		DAADMM
CCn1nc(C(=O)NC[C@H](C)NCc2n[nH]c(=O)[n-]2)ccc1=O	ZINC001390490807	923750637	/nfs/dbraw/zinc/75/06/37/923750637.db2.gz	RHWIYCAQIKSBCX-QMMMGPOBSA-N	-1	1	321.341	-1.005	20	0		DAADMM
CN(CCNC(=O)[C@@H]1CCN(C)C(=O)C1)Cc1nc(=O)n(C)[n-]1	ZINC001390783607	923781771	/nfs/dbraw/zinc/78/17/71/923781771.db2.gz	OYZXFSJQUWXESG-SNVBAGLBSA-N	-1	1	324.385	-1.475	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](CNC(=O)Cn3cnnn3)C2)nc1=O	ZINC001391089289	923805455	/nfs/dbraw/zinc/80/54/55/923805455.db2.gz	YSZSYHMDBKZJQE-SECBINFHSA-N	-1	1	321.345	-2.267	20	0		DAADMM
Cn1[n-]c(CN(CCNC(=O)Cn2ncnn2)C2CC2)nc1=O	ZINC001391157318	923810618	/nfs/dbraw/zinc/81/06/18/923810618.db2.gz	AJMWFEMXEFTBOJ-UHFFFAOYSA-N	-1	1	321.345	-2.124	20	0		DAADMM
CC(=O)NC(C)(C)C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001391454380	923840205	/nfs/dbraw/zinc/84/02/05/923840205.db2.gz	RBPKSXCJKRUNLN-UHFFFAOYSA-N	-1	1	310.358	-1.677	20	0		DAADMM
CNC(=O)CCCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001391551141	923857227	/nfs/dbraw/zinc/85/72/27/923857227.db2.gz	XHRDLQKIMVSINR-JTQLQIEISA-N	-1	1	324.385	-1.285	20	0		DAADMM
Cc1nc(CN(C)CCN(C)C(=O)Cn2c(=O)[n-][nH]c2=O)n[nH]1	ZINC001392321468	923963117	/nfs/dbraw/zinc/96/31/17/923963117.db2.gz	KBLYUFLGVAAJDK-UHFFFAOYSA-N	-1	1	324.345	-1.294	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1ccc(=O)[nH]n1	ZINC001392626129	924058205	/nfs/dbraw/zinc/05/82/05/924058205.db2.gz	AUGBMGYNUVUMAU-MRVPVSSYSA-N	-1	1	321.341	-1.146	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1cn(C)c(=O)[nH]1	ZINC001392689784	924066070	/nfs/dbraw/zinc/06/60/70/924066070.db2.gz	RDODUJQXPAAEBN-MRVPVSSYSA-N	-1	1	323.357	-1.202	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@@H](C)CC(N)=O	ZINC001392680382	924067262	/nfs/dbraw/zinc/06/72/62/924067262.db2.gz	YQUSTSNZYAMLMS-IUCAKERBSA-N	-1	1	312.374	-1.444	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)C[C@@H]2CCC(=O)N2)nc1=O	ZINC001392869664	924089555	/nfs/dbraw/zinc/08/95/55/924089555.db2.gz	VAWYJEAFBSVTNZ-VHSXEESVSA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](O)(CNC(=O)C3(C)CC3)C2)nc1=O	ZINC001393250230	924135697	/nfs/dbraw/zinc/13/56/97/924135697.db2.gz	OKOREROGLLHADM-AWEZNQCLSA-N	-1	1	309.370	-1.039	20	0		DAADMM
CNC(=O)CN(C)CCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001393638969	924238465	/nfs/dbraw/zinc/23/84/65/924238465.db2.gz	AWZVCITYKSKZSX-UHFFFAOYSA-N	-1	1	314.346	-1.784	20	0		DAADMM
C[C@@H](CNC(=O)[C@H]1COCCO1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001394039087	924274262	/nfs/dbraw/zinc/27/42/62/924274262.db2.gz	AWBPQFIQLXMEJJ-VHSXEESVSA-N	-1	1	313.358	-1.540	20	0		DAADMM
C[C@H](CNC(=O)[C@H]1COCCO1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001394039074	924275284	/nfs/dbraw/zinc/27/52/84/924275284.db2.gz	AWBPQFIQLXMEJJ-NXEZZACHSA-N	-1	1	313.358	-1.540	20	0		DAADMM
C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)[C@@H]1CCNC1=O	ZINC001394128205	924283246	/nfs/dbraw/zinc/28/32/46/924283246.db2.gz	CKHSCHNATYAAHP-HTQZYQBOSA-N	-1	1	312.330	-1.986	20	0		DAADMM
C[C@@H](CN(C)C(=O)C[C@H]1CCNC1=O)NCc1n[nH]c(=O)[n-]1	ZINC001394486202	924303799	/nfs/dbraw/zinc/30/37/99/924303799.db2.gz	CDFPMJOJHXUEDM-DTWKUNHWSA-N	-1	1	310.358	-1.027	20	0		DAADMM
C[C@H](CN(C)C(=O)C[C@H]1CCNC1=O)NCc1n[nH]c(=O)[n-]1	ZINC001394486213	924303832	/nfs/dbraw/zinc/30/38/32/924303832.db2.gz	CDFPMJOJHXUEDM-RKDXNWHRSA-N	-1	1	310.358	-1.027	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)c2cnccn2)nc1=O	ZINC001394568473	924308381	/nfs/dbraw/zinc/30/83/81/924308381.db2.gz	HTOJWYZPTWASMQ-MRVPVSSYSA-N	-1	1	307.314	-2.221	20	0		DAADMM
Cc1cnc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)cn1	ZINC001394567124	924309637	/nfs/dbraw/zinc/30/96/37/924309637.db2.gz	AIOPXEFDKOLPTR-SECBINFHSA-N	-1	1	321.341	-1.913	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)C2=COCCO2)nc1=O	ZINC001394576981	924316233	/nfs/dbraw/zinc/31/62/33/924316233.db2.gz	ZYIKGKZAWHDPOJ-MRVPVSSYSA-N	-1	1	313.314	-2.437	20	0		DAADMM
Cc1cnn(CC(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)c1	ZINC001394579288	924317168	/nfs/dbraw/zinc/31/71/68/924317168.db2.gz	VIUFUSSYLGBSKU-JTQLQIEISA-N	-1	1	323.357	-2.120	20	0		DAADMM
Cc1ccnc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)n1	ZINC001394580605	924319992	/nfs/dbraw/zinc/31/99/92/924319992.db2.gz	BNDRZSNFPGAELL-SECBINFHSA-N	-1	1	321.341	-1.913	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)CC(C)(C)O)nc1=O	ZINC001394589509	924326516	/nfs/dbraw/zinc/32/65/16/924326516.db2.gz	TVBPMACYYLGPTE-QMMMGPOBSA-N	-1	1	301.347	-2.164	20	0		DAADMM
CNC(=O)NCC(=O)N1CC(CNC(=O)c2ncccc2[O-])C1	ZINC001398745655	924668540	/nfs/dbraw/zinc/66/85/40/924668540.db2.gz	HZGQTXMOBGVDHK-UHFFFAOYSA-N	-1	1	321.337	-1.096	20	0		DAADMM
CN(CCNC(=O)CO[C@H]1CCOC1)Cc1nc(=O)n(C)[n-]1	ZINC001399492238	924707071	/nfs/dbraw/zinc/70/70/71/924707071.db2.gz	UINITTQPGSSAQL-JTQLQIEISA-N	-1	1	313.358	-1.538	20	0		DAADMM
COc1nn(C)cc1C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001399559117	924709723	/nfs/dbraw/zinc/70/97/23/924709723.db2.gz	LQPMKECLJABRKW-UHFFFAOYSA-N	-1	1	323.357	-1.288	20	0		DAADMM
CCN(CCNC(=O)c1cn[nH]c(=O)c1)Cc1nc(=O)n(C)[n-]1	ZINC001399711495	924717396	/nfs/dbraw/zinc/71/73/96/924717396.db2.gz	ZFSDFDBLHGHNTR-UHFFFAOYSA-N	-1	1	321.341	-1.144	20	0		DAADMM
Cn1nnc(C(=O)NCCN(Cc2nc(=O)n(C)[n-]2)C2CC2)n1	ZINC001400007678	924766076	/nfs/dbraw/zinc/76/60/76/924766076.db2.gz	CWADZQBCUNNMHN-UHFFFAOYSA-N	-1	1	321.345	-1.974	20	0		DAADMM
O=C(Cn1cnnn1)NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001400152102	924773560	/nfs/dbraw/zinc/77/35/60/924773560.db2.gz	TYCHXZGZWQSFNL-VIFPVBQESA-N	-1	1	321.345	-1.475	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CCc3ncccn3)C2)nc1=O	ZINC001400405094	924795926	/nfs/dbraw/zinc/79/59/26/924795926.db2.gz	BEDHMXKXJQSLMB-UHFFFAOYSA-N	-1	1	317.353	-1.168	20	0		DAADMM
C[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001400651460	924822183	/nfs/dbraw/zinc/82/21/83/924822183.db2.gz	CFRMCTXPYFUBEJ-JGVFFNPUSA-N	-1	1	311.346	-2.144	20	0		DAADMM
CC[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001400828754	924834615	/nfs/dbraw/zinc/83/46/15/924834615.db2.gz	UAGNKNDINNKKCI-JGVFFNPUSA-N	-1	1	319.387	-1.072	20	0		DAADMM
CN(CCN(C)C(=O)[C@@H]1CCNC(=O)C1)Cc1nc(=O)n(C)[n-]1	ZINC001401363691	924857486	/nfs/dbraw/zinc/85/74/86/924857486.db2.gz	UBTXIZADRBNCBD-SNVBAGLBSA-N	-1	1	324.385	-1.475	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1ccc(=O)n(C)n1	ZINC001401721290	924917411	/nfs/dbraw/zinc/91/74/11/924917411.db2.gz	GJGVLJYVEOLHIJ-ZETCQYMHSA-N	-1	1	307.314	-1.488	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1CCNC(=O)C1	ZINC001401743117	924918757	/nfs/dbraw/zinc/91/87/57/924918757.db2.gz	ZLVKWAWZWIUVRY-VHSXEESVSA-N	-1	1	324.385	-1.429	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@H]1CCNC(=O)C1	ZINC001401743116	924919110	/nfs/dbraw/zinc/91/91/10/924919110.db2.gz	ZLVKWAWZWIUVRY-UWVGGRQHSA-N	-1	1	324.385	-1.429	20	0		DAADMM
CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001401920637	924933495	/nfs/dbraw/zinc/93/34/95/924933495.db2.gz	HZIISOFVLYVCLY-SNVBAGLBSA-N	-1	1	324.385	-1.286	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](O)(CNC(=O)c3cn[nH]c3)C2)nc1=O	ZINC001402258459	924956670	/nfs/dbraw/zinc/95/66/70/924956670.db2.gz	JNLBLWFZLWRIOS-ZDUSSCGKSA-N	-1	1	321.341	-1.802	20	0		DAADMM
CC(C)[C@@H](O)C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001402343549	924982013	/nfs/dbraw/zinc/98/20/13/924982013.db2.gz	QTLOESVNASSASM-SNVBAGLBSA-N	-1	1	313.358	-2.212	20	0		DAADMM
COCC(=O)N[C@@]1(CO)CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001402438783	924996607	/nfs/dbraw/zinc/99/66/07/924996607.db2.gz	RTDFYBOYWHATPE-ZDUSSCGKSA-N	-1	1	313.358	-1.802	20	0		DAADMM
C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)NCc1n[nH]c(=O)[n-]1	ZINC001402922212	925041489	/nfs/dbraw/zinc/04/14/89/925041489.db2.gz	DTAAYDHCRGBFLP-YUMQZZPRSA-N	-1	1	317.371	-1.461	20	0		DAADMM
C[C@H](CNC(=O)CS(C)(=O)=O)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001403099072	925051579	/nfs/dbraw/zinc/05/15/79/925051579.db2.gz	GIEDNXVHDXDPMS-MRVPVSSYSA-N	-1	1	319.387	-1.911	20	0		DAADMM
C[C@@H](CNC(=O)CN1CCCC1=O)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001403094937	925053112	/nfs/dbraw/zinc/05/31/12/925053112.db2.gz	HQHPAEFHASTOIC-JTQLQIEISA-N	-1	1	324.385	-1.333	20	0		DAADMM
COC(=O)NCC(=O)NC[C@@H](C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001403106766	925053183	/nfs/dbraw/zinc/05/31/83/925053183.db2.gz	PAOPDUGAUNQXLV-MRVPVSSYSA-N	-1	1	314.346	-1.599	20	0		DAADMM
C[C@@H](CNC(=O)[C@H](C)n1cncn1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001403119278	925054906	/nfs/dbraw/zinc/05/49/06/925054906.db2.gz	CUKHVTCCEPBWES-UWVGGRQHSA-N	-1	1	322.373	-1.102	20	0		DAADMM
C[C@@H](NC(=O)CCCC(N)=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001403361068	925074694	/nfs/dbraw/zinc/07/46/94/925074694.db2.gz	YDWHAHFCWXCDCX-SECBINFHSA-N	-1	1	324.385	-1.300	20	0		DAADMM
C[C@H](NC(=O)CCCC(N)=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001403361072	925074746	/nfs/dbraw/zinc/07/47/46/925074746.db2.gz	YDWHAHFCWXCDCX-VIFPVBQESA-N	-1	1	324.385	-1.300	20	0		DAADMM
CN(C(=O)[C@@H]1COC(=O)N1)[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001403498084	925080473	/nfs/dbraw/zinc/08/04/73/925080473.db2.gz	YRIXWQGMBHNQGI-IUCAKERBSA-N	-1	1	324.341	-1.055	20	0		DAADMM
C[C@@H](CN(C)C(=O)CCn1cnnn1)NCc1n[nH]c(=O)[n-]1	ZINC001403617592	925089153	/nfs/dbraw/zinc/08/91/53/925089153.db2.gz	WGRUYQKFTNSQQR-QMMMGPOBSA-N	-1	1	309.334	-1.476	20	0		DAADMM
Cc1cc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)no1	ZINC001403662652	925105022	/nfs/dbraw/zinc/10/50/22/925105022.db2.gz	YMULHVLSGHFRNJ-QMMMGPOBSA-N	-1	1	310.314	-1.715	20	0		DAADMM
Cc1ncn(C)c1C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001403664960	925106506	/nfs/dbraw/zinc/10/65/06/925106506.db2.gz	JFHDJPGDRFZBDX-VIFPVBQESA-N	-1	1	323.357	-1.969	20	0		DAADMM
CCc1oncc1C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001403699456	925120511	/nfs/dbraw/zinc/12/05/11/925120511.db2.gz	JFSHJSMDKMHZRN-QMMMGPOBSA-N	-1	1	324.341	-1.461	20	0		DAADMM
CC(C)[C@H](F)C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001403715509	925126734	/nfs/dbraw/zinc/12/67/34/925126734.db2.gz	XJPVRKODCPZURW-SCZZXKLOSA-N	-1	1	303.338	-1.331	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)Cc2ccc[nH]2)nc1=O	ZINC001403730202	925132663	/nfs/dbraw/zinc/13/26/63/925132663.db2.gz	DJWUJVHBSFAPRP-SNVBAGLBSA-N	-1	1	308.342	-1.754	20	0		DAADMM
CN(CCNC(=O)c1cn(C)c(=O)n1C)Cc1nc(=O)n(C)[n-]1	ZINC001403796819	925142536	/nfs/dbraw/zinc/14/25/36/925142536.db2.gz	UIDVQJHYAGUEDS-UHFFFAOYSA-N	-1	1	323.357	-1.993	20	0		DAADMM
CC(=O)N(C)CC(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001403812783	925142764	/nfs/dbraw/zinc/14/27/64/925142764.db2.gz	JOCVCUIXKFKPEJ-VIFPVBQESA-N	-1	1	314.346	-2.103	20	0		DAADMM
CC(=O)N(C)CC(=O)N(C)C[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001403812778	925142939	/nfs/dbraw/zinc/14/29/39/925142939.db2.gz	JOCVCUIXKFKPEJ-SECBINFHSA-N	-1	1	314.346	-2.103	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)[C@@]1(F)CCOC1	ZINC001403868067	925157871	/nfs/dbraw/zinc/15/78/71/925157871.db2.gz	HNKQTUZTRFLAFX-PRHODGIISA-N	-1	1	317.321	-1.452	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)[C@]1(F)CCOC1	ZINC001403868053	925158259	/nfs/dbraw/zinc/15/82/59/925158259.db2.gz	HNKQTUZTRFLAFX-PELKAZGASA-N	-1	1	317.321	-1.452	20	0		DAADMM
CCN(CCNC(=O)c1cnc[nH]c1=O)Cc1nc(=O)n(C)[n-]1	ZINC001403860629	925158873	/nfs/dbraw/zinc/15/88/73/925158873.db2.gz	BYZPXERVMMMALM-UHFFFAOYSA-N	-1	1	321.341	-1.144	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1ccnnc1	ZINC001403885991	925164515	/nfs/dbraw/zinc/16/45/15/925164515.db2.gz	ZBYSMMKJAKACKJ-VIFPVBQESA-N	-1	1	307.314	-1.477	20	0		DAADMM
CNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)c1ncccc1[O-]	ZINC001403912914	925172384	/nfs/dbraw/zinc/17/23/84/925172384.db2.gz	PWWWDRHOBYRXDG-SNVBAGLBSA-N	-1	1	310.354	-1.102	20	0		DAADMM
CCC(=O)NCC(=O)NCCN(Cc1nc(=O)n(C)[n-]1)C1CC1	ZINC001404216465	925187088	/nfs/dbraw/zinc/18/70/88/925187088.db2.gz	ZSBOVHHLWJHMFW-UHFFFAOYSA-N	-1	1	324.385	-1.285	20	0		DAADMM
NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001404509734	925200316	/nfs/dbraw/zinc/20/03/16/925200316.db2.gz	BSIUANKJJGCYBM-BBBLOLIVSA-N	-1	1	322.369	-1.040	20	0		DAADMM
C[C@@H](CC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1)NC(N)=O	ZINC001404770633	925214004	/nfs/dbraw/zinc/21/40/04/925214004.db2.gz	LAXWZBHBJLFKPG-ZETCQYMHSA-N	-1	1	311.346	-2.144	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001404856740	925220099	/nfs/dbraw/zinc/22/00/99/925220099.db2.gz	XTFYRTPJKIBVNE-QMMMGPOBSA-N	-1	1	310.358	-1.819	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001404856724	925221287	/nfs/dbraw/zinc/22/12/87/925221287.db2.gz	XTFYRTPJKIBVNE-MRVPVSSYSA-N	-1	1	310.358	-1.819	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)CCNC(N)=O)nc1=O	ZINC001404981691	925229256	/nfs/dbraw/zinc/22/92/56/925229256.db2.gz	GYVNGGWJQYPPJL-IUCAKERBSA-N	-1	1	323.357	-2.048	20	0		DAADMM
CN(CCN(C)C(=O)c1cnn(C)c1N)Cc1nc(=O)n(C)[n-]1	ZINC001406089185	925346745	/nfs/dbraw/zinc/34/67/45/925346745.db2.gz	GPRPGMXBTKNVJB-UHFFFAOYSA-N	-1	1	322.373	-1.372	20	0		DAADMM
CS(=O)(=O)CC(=O)N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001406751265	925429826	/nfs/dbraw/zinc/42/98/26/925429826.db2.gz	OFFLGFQHALRONC-MRVPVSSYSA-N	-1	1	317.371	-1.461	20	0		DAADMM
CS(=O)(=O)CC(=O)N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001406751277	925430204	/nfs/dbraw/zinc/43/02/04/925430204.db2.gz	OFFLGFQHALRONC-QMMMGPOBSA-N	-1	1	317.371	-1.461	20	0		DAADMM
Cn1nncc1C(=O)N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001406744039	925430247	/nfs/dbraw/zinc/43/02/47/925430247.db2.gz	ABSZXESWQHERKX-MRVPVSSYSA-N	-1	1	306.330	-1.063	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)CCn2cnnn2)nc1=O	ZINC001406882101	925441029	/nfs/dbraw/zinc/44/10/29/925441029.db2.gz	SLHHVLMTXSTYAZ-VIFPVBQESA-N	-1	1	321.345	-2.124	20	0		DAADMM
CNC(=O)CN1CC[C@@](O)(CNC(=O)c2ncccc2[O-])C1	ZINC001407353654	925467411	/nfs/dbraw/zinc/46/74/11/925467411.db2.gz	UTHNJXMGRNMEAX-CQSZACIVSA-N	-1	1	308.338	-1.300	20	0		DAADMM
CNC(=O)CN1CC[C@](O)(CNC(=O)c2ncccc2[O-])C1	ZINC001407353652	925467844	/nfs/dbraw/zinc/46/78/44/925467844.db2.gz	UTHNJXMGRNMEAX-AWEZNQCLSA-N	-1	1	308.338	-1.300	20	0		DAADMM
CC[C@H](OC)C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001407404079	925483310	/nfs/dbraw/zinc/48/33/10/925483310.db2.gz	XMKBOAVEPOSTEO-VIFPVBQESA-N	-1	1	313.358	-1.804	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)CC(C)(F)F)C2)nc1=O	ZINC001407426913	925489944	/nfs/dbraw/zinc/48/99/44/925489944.db2.gz	PFLYGTMSZGFMEX-UHFFFAOYSA-N	-1	1	319.312	-1.183	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)[C@@H]3CC34CCC4)C2)nc1=O	ZINC001407440960	925493211	/nfs/dbraw/zinc/49/32/11/925493211.db2.gz	YQRJEANBASIHFB-JTQLQIEISA-N	-1	1	321.381	-1.039	20	0		DAADMM
C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001409565000	925635488	/nfs/dbraw/zinc/63/54/88/925635488.db2.gz	DZULWVIGNZVWCL-UWVGGRQHSA-N	-1	1	324.385	-1.477	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001409848127	925652671	/nfs/dbraw/zinc/65/26/71/925652671.db2.gz	IREVAPQRGDDAGE-IUCAKERBSA-N	-1	1	324.385	-1.431	20	0		DAADMM
Cn1ccc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)c1	ZINC001410606496	925738650	/nfs/dbraw/zinc/73/86/50/925738650.db2.gz	ZFOXRAJBAHXAJJ-JTQLQIEISA-N	-1	1	308.342	-1.673	20	0		DAADMM
CC(C)[C@@H](O)C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001410627409	925742330	/nfs/dbraw/zinc/74/23/30/925742330.db2.gz	GPAAVMFROVSRDQ-WCBMZHEXSA-N	-1	1	301.347	-2.308	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)C2(C(F)F)CC2)nc1=O	ZINC001410662388	925751529	/nfs/dbraw/zinc/75/15/29/925751529.db2.gz	VBLZOGZGUNWZAL-ZETCQYMHSA-N	-1	1	319.312	-1.280	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)CCc2ccon2)nc1=O	ZINC001410689511	925759765	/nfs/dbraw/zinc/75/97/65/925759765.db2.gz	CFZQKRXLSLWCJB-JTQLQIEISA-N	-1	1	324.341	-1.704	20	0		DAADMM
Cc1nccc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)n1	ZINC001410796839	925783801	/nfs/dbraw/zinc/78/38/01/925783801.db2.gz	YNMFZBHPHRUFER-SECBINFHSA-N	-1	1	321.341	-1.913	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@H](O)CN(C)C(=O)c1cocn1	ZINC001411158524	925821959	/nfs/dbraw/zinc/82/19/59/925821959.db2.gz	CYRWCGSDSLXBLL-VIFPVBQESA-N	-1	1	324.341	-1.339	20	0		DAADMM
O=C(c1cnn(C[C@@H](O)CO)c1)N1CCC[C@H](c2nn[n-]n2)C1	ZINC001411940721	925861941	/nfs/dbraw/zinc/86/19/41/925861941.db2.gz	VODHBPWWJZRAEA-GXSJLCMTSA-N	-1	1	321.341	-1.231	20	0		DAADMM
CS(=O)(=O)N1CCC(CNC(=O)CCc2nn[n-]n2)CC1	ZINC001412009894	925866882	/nfs/dbraw/zinc/86/68/82/925866882.db2.gz	TWHYWCZBWFYVFE-UHFFFAOYSA-N	-1	1	316.387	-1.080	20	0		DAADMM
CN1CCN(CCNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1	ZINC001412377049	925889753	/nfs/dbraw/zinc/88/97/53/925889753.db2.gz	JNGZTBHGPOIICR-UHFFFAOYSA-N	-1	1	319.369	-1.565	20	0		DAADMM
CN1CCN(CCNC(=O)CSc2n[nH]c(=O)[n-]2)CC1	ZINC001412377354	925890430	/nfs/dbraw/zinc/89/04/30/925890430.db2.gz	KJNOINJXDJCGPE-UHFFFAOYSA-N	-1	1	300.388	-1.034	20	0		DAADMM
C[C@]1(CO)C[C@@H](O)CN1C(=O)CNC(=O)c1ncccc1[O-]	ZINC001412386815	925890620	/nfs/dbraw/zinc/89/06/20/925890620.db2.gz	ZYTBQQLYHOBOGX-YMTOWFKASA-N	-1	1	309.322	-1.139	20	0		DAADMM
COC(=O)C[C@H]1C(=O)NCCN1C(=O)CCCc1nn[n-]n1	ZINC001412431594	925896189	/nfs/dbraw/zinc/89/61/89/925896189.db2.gz	RHYCOPBWTDWAQR-QMMMGPOBSA-N	-1	1	310.314	-1.588	20	0		DAADMM
O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001412429335	925896354	/nfs/dbraw/zinc/89/63/54/925896354.db2.gz	DGNPCGHUOJSWNG-DTWKUNHWSA-N	-1	1	315.355	-1.076	20	0		DAADMM
COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCCc1nn[n-]n1	ZINC001412431569	925896455	/nfs/dbraw/zinc/89/64/55/925896455.db2.gz	RHYCOPBWTDWAQR-MRVPVSSYSA-N	-1	1	310.314	-1.588	20	0		DAADMM
O=C([C@H]1CCCS1(=O)=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001412430732	925897110	/nfs/dbraw/zinc/89/71/10/925897110.db2.gz	JWFQVJASORTROL-HTQZYQBOSA-N	-1	1	301.328	-1.323	20	0		DAADMM
O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN([C@H]2CCC[C@H]2O)CC1	ZINC001412482598	925901044	/nfs/dbraw/zinc/90/10/44/925901044.db2.gz	LEHXNZGAFIFNOE-DTWKUNHWSA-N	-1	1	309.326	-1.046	20	0		DAADMM
O=C(c1cnn(C[C@@H](O)CO)c1)N1CCC(c2nn[n-]n2)CC1	ZINC001412490797	925902640	/nfs/dbraw/zinc/90/26/40/925902640.db2.gz	OKQQXQWLRVOHNW-LLVKDONJSA-N	-1	1	321.341	-1.231	20	0		DAADMM
CNC(=O)NC[C@H]1COCCN1C(=O)CCCc1nn[n-]n1	ZINC001412502033	925904699	/nfs/dbraw/zinc/90/46/99/925904699.db2.gz	UMIKJJGLBANFPT-VIFPVBQESA-N	-1	1	311.346	-1.321	20	0		DAADMM
CS(=O)(=O)C1(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CC1	ZINC001412527577	925907183	/nfs/dbraw/zinc/90/71/83/925907183.db2.gz	PKRLYWQCHCPGHF-SSDOTTSWSA-N	-1	1	301.328	-1.323	20	0		DAADMM
CS(=O)(=O)C1(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)CC1	ZINC001412527605	925908144	/nfs/dbraw/zinc/90/81/44/925908144.db2.gz	PKRLYWQCHCPGHF-ZETCQYMHSA-N	-1	1	301.328	-1.323	20	0		DAADMM
O=C(CNC(=O)N1CCCC1)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001412530959	925908355	/nfs/dbraw/zinc/90/83/55/925908355.db2.gz	KALHYSVKCQJFPM-VIFPVBQESA-N	-1	1	309.330	-1.095	20	0		DAADMM
CN1N=C(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CCC1=O	ZINC001412836411	925962395	/nfs/dbraw/zinc/96/23/95/925962395.db2.gz	FIFJPXFUVUTTEA-UHFFFAOYSA-N	-1	1	300.300	-1.245	20	0		DAADMM
CN1N=C(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)CCC1=O	ZINC001412836411	925962405	/nfs/dbraw/zinc/96/24/05/925962405.db2.gz	FIFJPXFUVUTTEA-UHFFFAOYSA-N	-1	1	300.300	-1.245	20	0		DAADMM
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCc1nn[n-]n1	ZINC001412888827	925976126	/nfs/dbraw/zinc/97/61/26/925976126.db2.gz	KSAHFKRGEXJVHL-SFYZADRCSA-N	-1	1	312.330	-1.295	20	0		DAADMM
CCN1CCOC[C@@H]1C(=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001412902762	925979333	/nfs/dbraw/zinc/97/93/33/925979333.db2.gz	STTOJSPWVRSGPF-SNVBAGLBSA-N	-1	1	310.358	-1.270	20	0		DAADMM
NC(=O)CN1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)CC1=O	ZINC001413131923	926010957	/nfs/dbraw/zinc/01/09/57/926010957.db2.gz	AZTIZVKPGZRHSL-UHFFFAOYSA-N	-1	1	319.321	-1.171	20	0		DAADMM
COC[C@H]([N-]S(=O)(=O)Cc1noc(C2CC2)n1)C(N)=O	ZINC001413324143	926035350	/nfs/dbraw/zinc/03/53/50/926035350.db2.gz	XPHLURSZVNSKHF-ZETCQYMHSA-N	-1	1	304.328	-1.133	20	0		DAADMM
C[C@H]1C[C@@H]([N-]S(=O)(=O)CCS(=O)(=O)N(C)C)C(=O)O1	ZINC001413354586	926042048	/nfs/dbraw/zinc/04/20/48/926042048.db2.gz	LETBHXOJZDYFHB-JGVFFNPUSA-N	-1	1	314.385	-1.499	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)C(=O)N(C)C	ZINC001413372493	926046488	/nfs/dbraw/zinc/04/64/88/926046488.db2.gz	ITVGCTRUFVPFQL-ZCFIWIBFSA-N	-1	1	304.328	-1.049	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCN2CCCC2=O)c(=O)[nH]c1=O	ZINC001413396345	926048714	/nfs/dbraw/zinc/04/87/14/926048714.db2.gz	FMQKVMNFHXOCDZ-UHFFFAOYSA-N	-1	1	316.339	-1.613	20	0		DAADMM
COC(=O)C1(S(=O)(=O)[N-][C@H](CO)c2nncn2C)CCC1	ZINC001413426262	926052956	/nfs/dbraw/zinc/05/29/56/926052956.db2.gz	ISVQCPJOHJOXGM-MRVPVSSYSA-N	-1	1	318.355	-1.136	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2COC[C@H]2O)[n-]n1	ZINC001413445938	926055102	/nfs/dbraw/zinc/05/51/02/926055102.db2.gz	NBXFTCRCWUMNQT-HTQZYQBOSA-N	-1	1	305.312	-1.424	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2COC[C@H]2O)n[n-]1	ZINC001413445938	926055110	/nfs/dbraw/zinc/05/51/10/926055110.db2.gz	NBXFTCRCWUMNQT-HTQZYQBOSA-N	-1	1	305.312	-1.424	20	0		DAADMM
O=C([N-]CC1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C(F)(F)F	ZINC001413462769	926056369	/nfs/dbraw/zinc/05/63/69/926056369.db2.gz	RMPSJJFMRLZCCB-LURJTMIESA-N	-1	1	322.243	-1.279	20	0		DAADMM
COC(=O)[C@@H](CC1OCCO1)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC001413485249	926058117	/nfs/dbraw/zinc/05/81/17/926058117.db2.gz	QTLCWTXTCDAUKU-RKDXNWHRSA-N	-1	1	309.340	-1.001	20	0		DAADMM
CN(C)S(=O)(=O)CC(=O)N1CCC[C@H](Cc2nn[n-]n2)C1	ZINC001413558980	926063571	/nfs/dbraw/zinc/06/35/71/926063571.db2.gz	JUWCCZPNJMACJC-SECBINFHSA-N	-1	1	316.387	-1.128	20	0		DAADMM
O=C(CCCc1nn[n-]n1)N1CCN2[C@@H](CNS2(=O)=O)C1	ZINC001413653729	926067809	/nfs/dbraw/zinc/06/78/09/926067809.db2.gz	UEHGEOHIEAEQLS-QMMMGPOBSA-N	-1	1	315.359	-2.117	20	0		DAADMM
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC2CSC2)o1	ZINC001413633123	926068877	/nfs/dbraw/zinc/06/88/77/926068877.db2.gz	WMOOADKOIJXGLS-UHFFFAOYSA-N	-1	1	319.364	-1.112	20	0		DAADMM
CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CCS(=O)(=O)C2)n1	ZINC001413853022	926080433	/nfs/dbraw/zinc/08/04/33/926080433.db2.gz	RONLPKYDHJOIHG-RXMQYKEDSA-N	-1	1	308.341	-1.419	20	0		DAADMM
CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CCS(=O)(=O)C2)[n-]1	ZINC001413853022	926080438	/nfs/dbraw/zinc/08/04/38/926080438.db2.gz	RONLPKYDHJOIHG-RXMQYKEDSA-N	-1	1	308.341	-1.419	20	0		DAADMM
CSC[C@@H](CCO)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001414216089	926111108	/nfs/dbraw/zinc/11/11/08/926111108.db2.gz	RDCHWXAYHSWDDB-SSDOTTSWSA-N	-1	1	323.396	-1.122	20	0		DAADMM
CO[C@]1(C[N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)CCOC1	ZINC001414242458	926112566	/nfs/dbraw/zinc/11/25/66/926112566.db2.gz	QLYYJUPYPJXZBT-NSHDSACASA-N	-1	1	319.339	-1.430	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@H]2C(=O)NCC[C@H]2C)[n-]n1	ZINC001414247743	926112904	/nfs/dbraw/zinc/11/29/04/926112904.db2.gz	IGROKQTVGOOVNI-MUWHJKNJSA-N	-1	1	316.339	-1.001	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@H]2C(=O)NCC[C@H]2C)n[n-]1	ZINC001414247743	926112910	/nfs/dbraw/zinc/11/29/10/926112910.db2.gz	IGROKQTVGOOVNI-MUWHJKNJSA-N	-1	1	316.339	-1.001	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCn2cnnc2)c(=O)[nH]c1=O	ZINC001414265904	926113990	/nfs/dbraw/zinc/11/39/90/926113990.db2.gz	ANNHGGHACCKUEQ-UHFFFAOYSA-N	-1	1	300.300	-1.944	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCO[C@@H]([C@H](C)O)C2)[n-]n1	ZINC001414278561	926116183	/nfs/dbraw/zinc/11/61/83/926116183.db2.gz	QFRKZBQHCXTYJJ-IONNQARKSA-N	-1	1	319.339	-1.033	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCO[C@@H]([C@H](C)O)C2)n[n-]1	ZINC001414278561	926116189	/nfs/dbraw/zinc/11/61/89/926116189.db2.gz	QFRKZBQHCXTYJJ-IONNQARKSA-N	-1	1	319.339	-1.033	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H]2C(=O)NCC2(C)C)[n-]n1	ZINC001414305269	926116484	/nfs/dbraw/zinc/11/64/84/926116484.db2.gz	FAEAAAMKCRCNCV-QMMMGPOBSA-N	-1	1	316.339	-1.001	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H]2C(=O)NCC2(C)C)n[n-]1	ZINC001414305269	926116489	/nfs/dbraw/zinc/11/64/89/926116489.db2.gz	FAEAAAMKCRCNCV-QMMMGPOBSA-N	-1	1	316.339	-1.001	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCCn2ccnn2)[n-]n1	ZINC001414324483	926117787	/nfs/dbraw/zinc/11/77/87/926117787.db2.gz	XTDYRWSNQGALKV-UHFFFAOYSA-N	-1	1	300.300	-1.234	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCCn2ccnn2)n[n-]1	ZINC001414324483	926117791	/nfs/dbraw/zinc/11/77/91/926117791.db2.gz	XTDYRWSNQGALKV-UHFFFAOYSA-N	-1	1	300.300	-1.234	20	0		DAADMM
CC[C@H](C[C@@H](C)O)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC001414324615	926118315	/nfs/dbraw/zinc/11/83/15/926118315.db2.gz	JNSQNDGKRYXABG-RKDXNWHRSA-N	-1	1	319.383	-1.088	20	0		DAADMM
COC(=O)[C@@H]([N-]S(=O)(=O)[C@@H]1C[C@H](C(=O)OC)C1)[C@@H](C)O	ZINC001414332735	926119582	/nfs/dbraw/zinc/11/95/82/926119582.db2.gz	XLAUJNQQWQRVLO-HXFLIBJXSA-N	-1	1	309.340	-1.220	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@H]3COC(=O)N3)CC2)nc1=O	ZINC001415121469	926163099	/nfs/dbraw/zinc/16/30/99/926163099.db2.gz	ZVWNMUUOKWYDEG-MRVPVSSYSA-N	-1	1	310.314	-2.139	20	0		DAADMM
COCCC(=O)NC1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001415970504	926210178	/nfs/dbraw/zinc/21/01/78/926210178.db2.gz	ZZYVCTYVCDETQM-UHFFFAOYSA-N	-1	1	320.309	-1.605	20	0		DAADMM
NC(=O)NC1(C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)CC1	ZINC001415982299	926214059	/nfs/dbraw/zinc/21/40/59/926214059.db2.gz	QHCRXQDCCQFVAU-UHFFFAOYSA-N	-1	1	319.321	-1.071	20	0		DAADMM
C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)Cn1cnnn1	ZINC001416785263	926275212	/nfs/dbraw/zinc/27/52/12/926275212.db2.gz	BKHUXBBYHDRGSQ-MRVPVSSYSA-N	-1	1	305.298	-1.292	20	0		DAADMM
CC(C)S(=O)(=O)CC(=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001417725722	926332386	/nfs/dbraw/zinc/33/23/86/926332386.db2.gz	GXQYZGCBTOXUPX-UHFFFAOYSA-N	-1	1	317.371	-1.167	20	0		DAADMM
CC[C@H](NC(C)=O)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001417946069	926352377	/nfs/dbraw/zinc/35/23/77/926352377.db2.gz	SDTODQRAOWBRCP-QWRGUYRKSA-N	-1	1	324.385	-1.286	20	0		DAADMM
COC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[n-]2)C1	ZINC001418084581	926363562	/nfs/dbraw/zinc/36/35/62/926363562.db2.gz	GFAHAFDDRKAJNI-OCAPTIKFSA-N	-1	1	312.330	-1.799	20	0		DAADMM
CN(CCNC(=O)C[C@H]1CCNC1=O)Cc1nc(=O)n(C)[n-]1	ZINC001418469797	926394326	/nfs/dbraw/zinc/39/43/26/926394326.db2.gz	ZUQQMTFEYRAKCS-SECBINFHSA-N	-1	1	310.358	-1.817	20	0		DAADMM
CC(=O)N1CCC[C@@H]1C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001418525808	926401992	/nfs/dbraw/zinc/40/19/92/926401992.db2.gz	JYYNFHIPQJJGSW-LLVKDONJSA-N	-1	1	324.385	-1.333	20	0		DAADMM
CC(=O)N(C)CC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C	ZINC001418778425	926422830	/nfs/dbraw/zinc/42/28/30/926422830.db2.gz	MECBLNFFNHWZFK-KOLCDFICSA-N	-1	1	324.385	-1.334	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C	ZINC001418793927	926423048	/nfs/dbraw/zinc/42/30/48/926423048.db2.gz	OJLSDYSSYFOKIV-NGZCFLSTSA-N	-1	1	324.385	-1.288	20	0		DAADMM
NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCOC[C@H]2c2nn[n-]n2)O1	ZINC001418862850	926428305	/nfs/dbraw/zinc/42/83/05/926428305.db2.gz	HKBCPGJXOMEVRM-UTLUCORTSA-N	-1	1	324.341	-1.087	20	0		DAADMM
O=C(NCC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1COC(=O)N1	ZINC001418888493	926429086	/nfs/dbraw/zinc/42/90/86/926429086.db2.gz	NEKRONJTYQQGQE-BDAKNGLRSA-N	-1	1	324.341	-1.053	20	0		DAADMM
CN(CC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1)C(=O)C1CC1	ZINC001418973322	926436182	/nfs/dbraw/zinc/43/61/82/926436182.db2.gz	GMOTYXKFLUTJFW-UHFFFAOYSA-N	-1	1	322.369	-1.723	20	0		DAADMM
O=C(C1=NN(CCO)C(=O)CC1)N1CC[C@@H](c2nn[n-]n2)C1	ZINC001419044993	926446759	/nfs/dbraw/zinc/44/67/59/926446759.db2.gz	WNTAOUHQEQJHIX-MRVPVSSYSA-N	-1	1	307.314	-1.514	20	0		DAADMM
COC[C@@H](OC)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001419062504	926451954	/nfs/dbraw/zinc/45/19/54/926451954.db2.gz	OZDOCDMLNONYAH-VHSXEESVSA-N	-1	1	313.358	-1.540	20	0		DAADMM
CCC(=O)NCC(=O)N(C)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001419101557	926456270	/nfs/dbraw/zinc/45/62/70/926456270.db2.gz	DGYKLVBXLQDMGJ-SNVBAGLBSA-N	-1	1	324.385	-1.333	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)CNC(=O)C1CS(=O)(=O)C1	ZINC001419457542	926478969	/nfs/dbraw/zinc/47/89/69/926478969.db2.gz	BEYXEUSXIYQIQH-SSDOTTSWSA-N	-1	1	317.371	-1.603	20	0		DAADMM
C[C@H](CNC(=O)C1CS(=O)(=O)C1)NCc1n[nH]c(=O)[n-]1	ZINC001419772695	926499918	/nfs/dbraw/zinc/49/99/18/926499918.db2.gz	SEZIDLGQXGODAZ-ZCFIWIBFSA-N	-1	1	303.344	-1.851	20	0		DAADMM
CC(=O)N1CC(C(=O)N(C)CCN(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001419969946	926513573	/nfs/dbraw/zinc/51/35/73/926513573.db2.gz	QZSGUEHRYNLGES-UHFFFAOYSA-N	-1	1	324.385	-1.523	20	0		DAADMM
CN(CCN(C)C(=O)C[C@@H]1CCC(=O)N1)Cc1nc(=O)n(C)[n-]1	ZINC001420024493	926517136	/nfs/dbraw/zinc/51/71/36/926517136.db2.gz	NNNIAGVYXIMPCY-JTQLQIEISA-N	-1	1	324.385	-1.333	20	0		DAADMM
Cc1nonc1CC(=O)N(C)CCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001420042851	926517211	/nfs/dbraw/zinc/51/72/11/926517211.db2.gz	IGNUNIBDBTVGTM-UHFFFAOYSA-N	-1	1	323.357	-1.067	20	0		DAADMM
COc1cc(C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)nn1C	ZINC001420268397	926575602	/nfs/dbraw/zinc/57/56/02/926575602.db2.gz	VNYNNVUXQIIXBQ-UHFFFAOYSA-N	-1	1	323.357	-1.288	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)CC1CS(=O)(=O)C1	ZINC001420315574	926580824	/nfs/dbraw/zinc/58/08/24/926580824.db2.gz	ZVUOPIUONMWKEJ-SSDOTTSWSA-N	-1	1	317.371	-1.461	20	0		DAADMM
CCN(CCNC(=O)[C@@H]1CC(=O)N(C)C1)Cc1nc(=O)n(C)[n-]1	ZINC001420394008	926590522	/nfs/dbraw/zinc/59/05/22/926590522.db2.gz	BBILFRCQEUVWGX-SNVBAGLBSA-N	-1	1	324.385	-1.475	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)CCc1cn(C)nn1	ZINC001420524702	926599798	/nfs/dbraw/zinc/59/97/98/926599798.db2.gz	CRESZHALSJIWJU-QMMMGPOBSA-N	-1	1	308.346	-1.134	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@H]1COCCO1	ZINC001420540176	926601248	/nfs/dbraw/zinc/60/12/48/926601248.db2.gz	GRRHRTAEZHRGNO-VHSXEESVSA-N	-1	1	313.358	-1.540	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001420629093	926605631	/nfs/dbraw/zinc/60/56/31/926605631.db2.gz	AAYIQTCDRYEHPD-HLTSFMKQSA-N	-1	1	310.358	-1.834	20	0		DAADMM
Cn1cnc(C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)n1	ZINC001420734503	926613395	/nfs/dbraw/zinc/61/33/95/926613395.db2.gz	HVLQEQCKCRPCQP-MRVPVSSYSA-N	-1	1	306.330	-1.063	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@]2(F)CCOC2)nc1=O	ZINC001420863213	926621264	/nfs/dbraw/zinc/62/12/64/926621264.db2.gz	OMEOELRWBSOXNS-RNCFNFMXSA-N	-1	1	313.333	-1.073	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)C[C@](C)(O)C3CC3)C2)nc1=O	ZINC001421024326	926635080	/nfs/dbraw/zinc/63/50/80/926635080.db2.gz	ISLIQDDJVSMVIW-AWEZNQCLSA-N	-1	1	309.370	-1.040	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)COCC(F)F)C2)nc1=O	ZINC001421056040	926640234	/nfs/dbraw/zinc/64/02/34/926640234.db2.gz	AHXBXORNEORJBM-UHFFFAOYSA-N	-1	1	305.285	-1.310	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)N[C@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001421219270	926658534	/nfs/dbraw/zinc/65/85/34/926658534.db2.gz	KAYMWXLHFLHGBI-LKFCYVNXSA-N	-1	1	324.385	-1.300	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@@H](CNC(=O)C(F)F)C2)nc1=O	ZINC001421780771	926751885	/nfs/dbraw/zinc/75/18/85/926751885.db2.gz	FHRKGYJUEZHEQE-ZETCQYMHSA-N	-1	1	305.285	-1.310	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)[C@H](C)S(C)(=O)=O	ZINC001421910278	926769082	/nfs/dbraw/zinc/76/90/82/926769082.db2.gz	IOCJMUYFTDYEDI-YUMQZZPRSA-N	-1	1	319.387	-1.120	20	0		DAADMM
COCC(=O)N[C@H]1COC2(CN(Cc3nc(=O)n(C)[n-]3)C2)C1	ZINC001421917284	926773619	/nfs/dbraw/zinc/77/36/19/926773619.db2.gz	OMGOXZVXKXLJOX-SECBINFHSA-N	-1	1	311.342	-1.786	20	0		DAADMM
CNC(=O)NCC(=O)N1C[C@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001422055973	926784461	/nfs/dbraw/zinc/78/44/61/926784461.db2.gz	YQFDGHJCFAYRKH-JGVFFNPUSA-N	-1	1	311.346	-1.624	20	0		DAADMM
COCCC(=O)N1CCC(O)(CNCc2n[nH]c(=O)[n-]2)CC1	ZINC001422089041	926787028	/nfs/dbraw/zinc/78/70/28/926787028.db2.gz	AYQDPHPXYCLESV-UHFFFAOYSA-N	-1	1	313.358	-1.010	20	0		DAADMM
CN(CCN(C)C(=O)Cn1cnnn1)Cc1nc(=O)n(C)[n-]1	ZINC001422169773	926794937	/nfs/dbraw/zinc/79/49/37/926794937.db2.gz	BXDFVABJLIXOTK-UHFFFAOYSA-N	-1	1	309.334	-2.315	20	0		DAADMM
CN(CCN(C)C(=O)[C@H]1C[C@H]1C(N)=O)Cc1nc(=O)n(C)[n-]1	ZINC001422202366	926799366	/nfs/dbraw/zinc/79/93/66/926799366.db2.gz	WDHGDAZAILLEIX-BDAKNGLRSA-N	-1	1	310.358	-1.880	20	0		DAADMM
COCC(C)(C)C(=O)NC[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001422336277	926838738	/nfs/dbraw/zinc/83/87/38/926838738.db2.gz	UVBWLHZUOVHBLD-MRVPVSSYSA-N	-1	1	301.347	-1.250	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)CCn1cnccc1=O	ZINC001422723990	926909162	/nfs/dbraw/zinc/90/91/62/926909162.db2.gz	QAIIOUFAEUAOAY-VIFPVBQESA-N	-1	1	321.341	-1.248	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)[C@H]2CC2(F)F)nc1=O	ZINC001423209698	926971206	/nfs/dbraw/zinc/97/12/06/926971206.db2.gz	KTENHXMUJGPZBB-RNFRBKRXSA-N	-1	1	305.285	-1.670	20	0		DAADMM
CN(C(=O)CCc1nnc[nH]1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001423397416	927035600	/nfs/dbraw/zinc/03/56/00/927035600.db2.gz	GTMSIYLMKAOTRW-UHFFFAOYSA-N	-1	1	320.357	-1.498	20	0		DAADMM
Cc1cnc(C(=O)N(C)C[C@H](O)CNCc2n[nH]c(=O)[n-]2)cn1	ZINC001423426993	927045445	/nfs/dbraw/zinc/04/54/45/927045445.db2.gz	GWGTTYXUGZXIAW-SECBINFHSA-N	-1	1	321.341	-1.169	20	0		DAADMM
COC[C@H](C)C(=O)N(C)C[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001423439383	927052398	/nfs/dbraw/zinc/05/23/98/927052398.db2.gz	VNWWSIUZIPTBBD-DTWKUNHWSA-N	-1	1	301.347	-1.298	20	0		DAADMM
CCNC(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)n[n-]1	ZINC001423590898	927097043	/nfs/dbraw/zinc/09/70/43/927097043.db2.gz	OQKVJXYVKFFCCX-LURJTMIESA-N	-1	1	304.328	-1.001	20	0		DAADMM
CCNC(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)[n-]n1	ZINC001423590898	927097054	/nfs/dbraw/zinc/09/70/54/927097054.db2.gz	OQKVJXYVKFFCCX-LURJTMIESA-N	-1	1	304.328	-1.001	20	0		DAADMM
Cc1nnc(C[N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)n1C	ZINC001423652383	927105758	/nfs/dbraw/zinc/10/57/58/927105758.db2.gz	GERVEWUAMXMETK-UHFFFAOYSA-N	-1	1	314.327	-1.599	20	0		DAADMM
COCCC(=O)NC[C@]1(O)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001423734833	927108411	/nfs/dbraw/zinc/10/84/11/927108411.db2.gz	DIVVVGGJKZUALI-CYBMUJFWSA-N	-1	1	313.358	-1.802	20	0		DAADMM
CO[C@@H](C)C(=O)NC[C@@]1(O)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001423743783	927110995	/nfs/dbraw/zinc/11/09/95/927110995.db2.gz	DOVONXGQDFEMHL-ZANVPECISA-N	-1	1	313.358	-1.804	20	0		DAADMM
C[C@H](CC[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)[S@](C)=O	ZINC001423811278	927137289	/nfs/dbraw/zinc/13/72/89/927137289.db2.gz	HANCFBAIPJNTLR-XJZHNMMOSA-N	-1	1	323.396	-1.079	20	0		DAADMM
Cn1nccc1C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001423814361	927141285	/nfs/dbraw/zinc/14/12/85/927141285.db2.gz	NZINSKKUQPYZKF-UHFFFAOYSA-N	-1	1	321.341	-2.181	20	0		DAADMM
Cc1cc[nH]c1C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001423836088	927150562	/nfs/dbraw/zinc/15/05/62/927150562.db2.gz	KNPLOZWIMVTFIY-UHFFFAOYSA-N	-1	1	320.353	-1.278	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)Cc3ncc[nH]3)C2)nc1=O	ZINC001423883929	927166225	/nfs/dbraw/zinc/16/62/25/927166225.db2.gz	LARSNLSHHKCUQZ-UHFFFAOYSA-N	-1	1	321.341	-2.263	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)c3nccs3)C2)nc1=O	ZINC001423890291	927166606	/nfs/dbraw/zinc/16/66/06/927166606.db2.gz	YRTYNZKCJJPALH-UHFFFAOYSA-N	-1	1	324.366	-1.458	20	0		DAADMM
C[C@H](C[S@@](C)=O)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001423954656	927177189	/nfs/dbraw/zinc/17/71/89/927177189.db2.gz	DDWJGMLRJNJCNT-FWCARGHBSA-N	-1	1	309.369	-1.469	20	0		DAADMM
NC(=O)[C@H](CO)[N-]S(=O)(=O)Cc1noc2c1CCCC2	ZINC001424032737	927185972	/nfs/dbraw/zinc/18/59/72/927185972.db2.gz	MLGJQTWZIGMGSB-QMMMGPOBSA-N	-1	1	303.340	-1.181	20	0		DAADMM
CC[C@@H](CNS(C)(=O)=O)[N-]S(=O)(=O)N=S(C)(C)=O	ZINC001424077279	927193920	/nfs/dbraw/zinc/19/39/20/927193920.db2.gz	CAUPHRSHWCEMBD-ZETCQYMHSA-N	-1	1	321.446	-1.124	20	0		DAADMM
CCC1(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)COC1	ZINC001424082090	927194732	/nfs/dbraw/zinc/19/47/32/927194732.db2.gz	SVTYKSXHLUXAOS-UHFFFAOYSA-N	-1	1	317.367	-1.211	20	0		DAADMM
Cn1ncc(C[N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)n1	ZINC001424102746	927196552	/nfs/dbraw/zinc/19/65/52/927196552.db2.gz	MIQPVXLUYUHZJQ-UHFFFAOYSA-N	-1	1	300.300	-1.907	20	0		DAADMM
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCOC[C@H]1O	ZINC001424584934	927245074	/nfs/dbraw/zinc/24/50/74/927245074.db2.gz	QDTKEIQRUHATKE-GMJGCRJXSA-N	-1	1	301.390	-1.455	20	0		DAADMM
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H](O)[C@H]1CCCO1	ZINC001424386083	927228230	/nfs/dbraw/zinc/22/82/30/927228230.db2.gz	WSKUVRNLZGSRGB-IDJBCLPUSA-N	-1	1	315.417	-1.065	20	0		DAADMM
CS(=O)(=O)C[C@@H](O)C[N-]S(=O)(=O)c1ccns1	ZINC001424794550	927260069	/nfs/dbraw/zinc/26/00/69/927260069.db2.gz	RMWBFWAFKABAOJ-LURJTMIESA-N	-1	1	300.383	-1.173	20	0		DAADMM
C[C@@H](CNC(=O)Cn1ncnn1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001424946012	927264143	/nfs/dbraw/zinc/26/41/43/927264143.db2.gz	YWLFRGFGFGYWKV-QMMMGPOBSA-N	-1	1	309.334	-2.268	20	0		DAADMM
C[C@H](CNC(=O)[C@@H]1COC(=O)N1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001424926904	927264699	/nfs/dbraw/zinc/26/46/99/927264699.db2.gz	GGYZKZATTHTWSY-SFYZADRCSA-N	-1	1	312.330	-1.847	20	0		DAADMM
COC[C@@H](OC)C(=O)NC[C@@H](C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001425006021	927270548	/nfs/dbraw/zinc/27/05/48/927270548.db2.gz	OLEGTIZZCLGONI-NXEZZACHSA-N	-1	1	315.374	-1.294	20	0		DAADMM
CC[C@H](F)C(=O)NC1(CCO)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001425103172	927282572	/nfs/dbraw/zinc/28/25/72/927282572.db2.gz	KSPYLPYZGZUHIB-VIFPVBQESA-N	-1	1	315.349	-1.091	20	0		DAADMM
CC(=O)NCC(=O)N[C@@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001425205097	927291633	/nfs/dbraw/zinc/29/16/33/927291633.db2.gz	RCDCVEJGEOYKEQ-QMMMGPOBSA-N	-1	1	310.358	-1.819	20	0		DAADMM
C[C@H](CN(C)C(=O)CN1CCOCC1)NCc1n[nH]c(=O)[n-]1	ZINC001425563516	927393757	/nfs/dbraw/zinc/39/37/57/927393757.db2.gz	JJAAEJQZJPSBSL-SNVBAGLBSA-N	-1	1	312.374	-1.221	20	0		DAADMM
C[C@H](CN(C)C(=O)[C@H](C)S(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001425610681	927396789	/nfs/dbraw/zinc/39/67/89/927396789.db2.gz	ZAVCZWCAGBTWKK-SFYZADRCSA-N	-1	1	319.387	-1.120	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)c2cnsn2)nc1=O	ZINC001425711020	927406430	/nfs/dbraw/zinc/40/64/30/927406430.db2.gz	JQNSAAWHADCANA-LURJTMIESA-N	-1	1	313.343	-2.160	20	0		DAADMM
Cc1n[nH]c(C(=O)NC[C@@H](CO)N[C@H]2CCN(C)C2=O)c1[O-]	ZINC001425747368	927422278	/nfs/dbraw/zinc/42/22/78/927422278.db2.gz	WLBZCXBTIVZHMY-IUCAKERBSA-N	-1	1	311.342	-1.665	20	0		DAADMM
CCn1[n-]nnc1=NC(=O)N1CCN(C)C[C@@H](C(=O)OC)C1	ZINC001425764335	927433585	/nfs/dbraw/zinc/43/35/85/927433585.db2.gz	SCIIENZTVSHIEO-SECBINFHSA-N	-1	1	311.346	-1.317	20	0		DAADMM
CCn1[n-]nnc1=NC(=O)N1CCN(C)C[C@H](C(=O)OC)C1	ZINC001425764342	927433691	/nfs/dbraw/zinc/43/36/91/927433691.db2.gz	SCIIENZTVSHIEO-VIFPVBQESA-N	-1	1	311.346	-1.317	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)c2ncccn2)nc1=O	ZINC001425825289	927465273	/nfs/dbraw/zinc/46/52/73/927465273.db2.gz	SQIIEZMIMKNDDV-QMMMGPOBSA-N	-1	1	307.314	-2.221	20	0		DAADMM
CC[C@H](OC)C(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001425980312	927495487	/nfs/dbraw/zinc/49/54/87/927495487.db2.gz	JEHXLTBWPKRNAO-IUCAKERBSA-N	-1	1	301.347	-1.156	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@@H](O)CN(C)C(=O)c1cn[nH]n1	ZINC001426102188	927530516	/nfs/dbraw/zinc/53/05/16/927530516.db2.gz	ZDEROUACELVIAC-MRVPVSSYSA-N	-1	1	324.345	-2.209	20	0		DAADMM
C[C@@H](NC(=O)Cn1ncn(C)c1=O)[C@H](C)NC(=O)c1cnn[nH]1	ZINC001426511911	927546549	/nfs/dbraw/zinc/54/65/49/927546549.db2.gz	XIPGTDNMDQWPSM-SFYZADRCSA-N	-1	1	322.329	-1.977	20	0		DAADMM
O=C(NC[C@H](CO)NC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1ncccc1[O-]	ZINC001427789670	927667675	/nfs/dbraw/zinc/66/76/75/927667675.db2.gz	LEAZVYCBFUXNOV-SVDPJWKOSA-N	-1	1	321.333	-1.114	20	0		DAADMM
C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@@H]1CNC(=O)N1	ZINC001428596560	927788168	/nfs/dbraw/zinc/78/81/68/927788168.db2.gz	GDXYHCJRTSPIPU-YUMQZZPRSA-N	-1	1	307.310	-1.297	20	0		DAADMM
CCOCC(=O)N[C@H](C)CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001431580243	928070711	/nfs/dbraw/zinc/07/07/11/928070711.db2.gz	AASDASYGSSRKSH-MRVPVSSYSA-N	-1	1	322.325	-1.311	20	0		DAADMM
C[C@@H](CNC(=O)Cn1ncnn1)CNC(=O)c1ncccc1[O-]	ZINC001432960677	928172511	/nfs/dbraw/zinc/17/25/11/928172511.db2.gz	CYBZKVPUNJAHMG-VIFPVBQESA-N	-1	1	319.325	-1.044	20	0		DAADMM
Cn1cc(N2CCN(C(=O)CCc3nn[n-]n3)CC2=O)cn1	ZINC001433749440	928261022	/nfs/dbraw/zinc/26/10/22/928261022.db2.gz	FXOSLEMMTVXKKY-UHFFFAOYSA-N	-1	1	304.314	-1.259	20	0		DAADMM
CS(=O)(=O)N1CC[C@@H](CNC(=O)CCCc2nn[n-]n2)C1	ZINC001433813855	928267498	/nfs/dbraw/zinc/26/74/98/928267498.db2.gz	GZJGYUSNNQJUKP-VIFPVBQESA-N	-1	1	316.387	-1.080	20	0		DAADMM
C[C@H](CN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)c1nn[n-]n1	ZINC001433889272	928275068	/nfs/dbraw/zinc/27/50/68/928275068.db2.gz	DOGPYMRBWBMKFV-RQJHMYQMSA-N	-1	1	316.343	-2.325	20	0		DAADMM
Cn1cnc([N-]C(=O)c2cnn3c2S(=O)(=O)N(C)CC3)n1	ZINC001434043116	928296740	/nfs/dbraw/zinc/29/67/40/928296740.db2.gz	KNRJGCGITRIILC-UHFFFAOYSA-N	-1	1	311.327	-1.102	20	0		DAADMM
CN(C)S(=O)(=O)CCC(=O)N1CC[C@H](c2nn[n-]n2)C1	ZINC001434315235	928329520	/nfs/dbraw/zinc/32/95/20/928329520.db2.gz	XHAJRINQAAXXKX-QMMMGPOBSA-N	-1	1	302.360	-1.203	20	0		DAADMM
COC[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1nn[n-]n1	ZINC001434365658	928340793	/nfs/dbraw/zinc/34/07/93/928340793.db2.gz	YXNFFMSRNMIRRO-HTQZYQBOSA-N	-1	1	303.344	-1.172	20	0		DAADMM
COC[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)c1nn[n-]n1	ZINC001434364662	928341472	/nfs/dbraw/zinc/34/14/72/928341472.db2.gz	SVNWNDRHQPIORH-ZETCQYMHSA-N	-1	1	320.375	-1.279	20	0		DAADMM
CO[C@](C)(CO)C[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C	ZINC001434580669	928370655	/nfs/dbraw/zinc/37/06/55/928370655.db2.gz	WOVNFSXNOFKCEP-QPFGOUBPSA-N	-1	1	303.406	-1.207	20	0		DAADMM
COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)CCCc1nn[n-]n1	ZINC001434406288	928349687	/nfs/dbraw/zinc/34/96/87/928349687.db2.gz	CBUZRIVQRQVKBQ-MRVPVSSYSA-N	-1	1	310.314	-1.635	20	0		DAADMM
CS[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001434561094	928365622	/nfs/dbraw/zinc/36/56/22/928365622.db2.gz	QYAYQIGADRCRAE-NKWVEPMBSA-N	-1	1	323.396	-1.123	20	0		DAADMM
CO[C@](C)(CO)C[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C	ZINC001434580673	928369198	/nfs/dbraw/zinc/36/91/98/928369198.db2.gz	WOVNFSXNOFKCEP-WNWIJWBNSA-N	-1	1	303.406	-1.207	20	0		DAADMM
CCN1C[C@H](S(=O)(=O)[N-][C@@]2(C(N)=O)CCOC2)CC1=O	ZINC001434581619	928369219	/nfs/dbraw/zinc/36/92/19/928369219.db2.gz	VDMGRIYWXZBGAA-KCJUWKMLSA-N	-1	1	305.356	-1.829	20	0		DAADMM
CO[C@@](C)(CO)C[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C	ZINC001434580672	928370285	/nfs/dbraw/zinc/37/02/85/928370285.db2.gz	WOVNFSXNOFKCEP-RBHXEPJQSA-N	-1	1	303.406	-1.207	20	0		DAADMM
Cn1cc(C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)cn1	ZINC001434851703	928389846	/nfs/dbraw/zinc/38/98/46/928389846.db2.gz	AFGKPECEZHJQLW-UHFFFAOYSA-N	-1	1	305.342	-1.200	20	0		DAADMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)Cn1cncn1	ZINC001436334683	928392308	/nfs/dbraw/zinc/39/23/08/928392308.db2.gz	YHFRGXGASVMQKA-JTQLQIEISA-N	-1	1	320.357	-1.567	20	0		DAADMM
COC[C@@H](OC)C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001436731065	928409297	/nfs/dbraw/zinc/40/92/97/928409297.db2.gz	OZDOCDMLNONYAH-NXEZZACHSA-N	-1	1	313.358	-1.540	20	0		DAADMM
CC(=O)NCC(=O)NC[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001436984491	928420283	/nfs/dbraw/zinc/42/02/83/928420283.db2.gz	JLRXGBKEJKVRDK-NSHDSACASA-N	-1	1	324.385	-1.427	20	0		DAADMM
C[C@H](CNC(=O)[C@H]1CCc2nncn2C1)NCc1n[nH]c(=O)[n-]1	ZINC001437260904	928441645	/nfs/dbraw/zinc/44/16/45/928441645.db2.gz	JOYXOCBONPUSPO-BDAKNGLRSA-N	-1	1	320.357	-1.041	20	0		DAADMM
CN(CCNC(=O)CCn1cnnn1)Cc1nc(=O)n(C)[n-]1	ZINC001437539810	928462960	/nfs/dbraw/zinc/46/29/60/928462960.db2.gz	PSXKDTCKJRFLBX-UHFFFAOYSA-N	-1	1	309.334	-2.267	20	0		DAADMM
CCN(CCNC(=O)c1ncn(C)n1)Cc1nc(=O)n(C)[n-]1	ZINC001437591712	928464901	/nfs/dbraw/zinc/46/49/01/928464901.db2.gz	MHPXPPCJFRTDPU-UHFFFAOYSA-N	-1	1	308.346	-1.511	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)Cn2cnnn2)nc1=O	ZINC001437648866	928469505	/nfs/dbraw/zinc/46/95/05/928469505.db2.gz	GJZXJMDORGRTIX-SECBINFHSA-N	-1	1	321.345	-2.124	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)NCCN(Cc1nc(=O)n(C)[n-]1)C1CC1	ZINC001437780850	928478566	/nfs/dbraw/zinc/47/85/66/928478566.db2.gz	QGHNSXOGTJTPQO-VIFPVBQESA-N	-1	1	324.385	-1.286	20	0		DAADMM
CC(=O)NC(C)(C)C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001438142755	928500595	/nfs/dbraw/zinc/50/05/95/928500595.db2.gz	LIMXGEMUBQLSBS-UHFFFAOYSA-N	-1	1	324.385	-1.429	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)CCn3cnnn3)C2)nc1=O	ZINC001438145326	928501051	/nfs/dbraw/zinc/50/10/51/928501051.db2.gz	WTLUPYQWBGHNIL-UHFFFAOYSA-N	-1	1	321.345	-2.267	20	0		DAADMM
COC(=O)NCC(=O)N(C)[C@@H](C)CNCc1n[nH]c(=O)[n-]1	ZINC001438635667	928528270	/nfs/dbraw/zinc/52/82/70/928528270.db2.gz	IQKGKVXBMHLCCB-ZETCQYMHSA-N	-1	1	300.319	-1.197	20	0		DAADMM
O=C(NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1)c1cncc(F)c1	ZINC001438980951	928552573	/nfs/dbraw/zinc/55/25/73/928552573.db2.gz	NMFUENLSFFSDNE-VIFPVBQESA-N	-1	1	310.289	-1.075	20	0		DAADMM
CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001439009269	928571421	/nfs/dbraw/zinc/57/14/21/928571421.db2.gz	FJXWRQZQIGFIAI-AEJSXWLSSA-N	-1	1	313.358	-1.108	20	0		DAADMM
O=C(NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001439036030	928586060	/nfs/dbraw/zinc/58/60/60/928586060.db2.gz	SWFHYYKYZCGQDA-JLIMGVALSA-N	-1	1	311.342	-1.356	20	0		DAADMM
O=C(CCn1cccc1)NC[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001439038062	928588944	/nfs/dbraw/zinc/58/89/44/928588944.db2.gz	WXGMRLSNORKQRD-SNVBAGLBSA-N	-1	1	308.342	-1.031	20	0		DAADMM
CCN1C[C@@H](C(=O)N[C@H](C)CNCc2n[nH]c(=O)[n-]2)CC1=O	ZINC001439115580	928599780	/nfs/dbraw/zinc/59/97/80/928599780.db2.gz	QINDMRALDDSQJT-BDAKNGLRSA-N	-1	1	310.358	-1.027	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H](C)CS(C)(=O)=O	ZINC001439184398	928604237	/nfs/dbraw/zinc/60/42/37/928604237.db2.gz	KPLOWYDAWWVQCG-JGVFFNPUSA-N	-1	1	319.387	-1.215	20	0		DAADMM
C[C@@H](CNCc1nccn1C)NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001439271157	928610658	/nfs/dbraw/zinc/61/06/58/928610658.db2.gz	OTACTYGCSDNYRA-QMMMGPOBSA-N	-1	1	309.330	-1.283	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1cn(C)nn1	ZINC001439322692	928613679	/nfs/dbraw/zinc/61/36/79/928613679.db2.gz	UYERDNHQQXYNAP-QMMMGPOBSA-N	-1	1	308.346	-1.513	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)CCn1cncn1	ZINC001439300843	928613835	/nfs/dbraw/zinc/61/38/35/928613835.db2.gz	UBSREWLLNWWTAD-JTQLQIEISA-N	-1	1	322.373	-1.273	20	0		DAADMM
CC(=O)N(C)CC(=O)N[C@@H](C)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001439301374	928614419	/nfs/dbraw/zinc/61/44/19/928614419.db2.gz	UXMMUAINVFYOGD-VIFPVBQESA-N	-1	1	312.374	-1.477	20	0		DAADMM
Cn1cccc1C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001440034975	928674871	/nfs/dbraw/zinc/67/48/71/928674871.db2.gz	VRCXGRFHLDJBOZ-UHFFFAOYSA-N	-1	1	320.353	-1.576	20	0		DAADMM
CN1CCCC[C@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001440066090	928685648	/nfs/dbraw/zinc/68/56/48/928685648.db2.gz	CSVKTNQUQKLBKF-JTQLQIEISA-N	-1	1	324.385	-1.343	20	0		DAADMM
C[C@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001440586931	928732419	/nfs/dbraw/zinc/73/24/19/928732419.db2.gz	FYJFIZOPPIKIRQ-WPRPVWTQSA-N	-1	1	322.369	-1.027	20	0		DAADMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)c1ccc(=O)n(C)n1	ZINC001440856906	928747826	/nfs/dbraw/zinc/74/78/26/928747826.db2.gz	HTSNNCZPTWAJQC-SFYZADRCSA-N	-1	1	321.341	-1.099	20	0		DAADMM
CCn1ncc(C(=O)NC[C@H](C)N(C)Cc2nc(=O)n(C)[n-]2)n1	ZINC001440916027	928749720	/nfs/dbraw/zinc/74/97/20/928749720.db2.gz	SLLGKDLVJMYUSO-VIFPVBQESA-N	-1	1	322.373	-1.030	20	0		DAADMM
C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001440956765	928752297	/nfs/dbraw/zinc/75/22/97/928752297.db2.gz	RBKIHPXZFDFFNV-QMMMGPOBSA-N	-1	1	323.357	-1.202	20	0		DAADMM
Cn1[n-]c(CN2CC(CCO)(NC(=O)c3cc[nH]c3)C2)nc1=O	ZINC001441042824	928759232	/nfs/dbraw/zinc/75/92/32/928759232.db2.gz	UCXDZEKJYKBIEW-UHFFFAOYSA-N	-1	1	320.353	-1.197	20	0		DAADMM
C[C@@H](CN(C)C(=O)CNC(=O)C1CC1)NCc1n[nH]c(=O)[n-]1	ZINC001441497852	928791699	/nfs/dbraw/zinc/79/16/99/928791699.db2.gz	LQGMLWMLKQUPSN-QMMMGPOBSA-N	-1	1	310.358	-1.027	20	0		DAADMM
COCC(=O)NC[C@H](CO)NCc1cc(=O)n2[n-]ccc2n1	ZINC001441640796	928804095	/nfs/dbraw/zinc/80/40/95/928804095.db2.gz	DECQVXDRZDAJJB-SNVBAGLBSA-N	-1	1	309.326	-1.764	20	0		DAADMM
Cn1cc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)cn1	ZINC001441664182	928806910	/nfs/dbraw/zinc/80/69/10/928806910.db2.gz	ASSXFMRSWRMGFM-SECBINFHSA-N	-1	1	309.330	-2.278	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1ccncn1	ZINC001442028750	928911700	/nfs/dbraw/zinc/91/17/00/928911700.db2.gz	XOEMJUSGNUCTSR-QMMMGPOBSA-N	-1	1	307.314	-1.477	20	0		DAADMM
C[C@H](CNC(=O)[C@@H]1CCCS1(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001442057279	928921219	/nfs/dbraw/zinc/92/12/19/928921219.db2.gz	VDVLFTMXKQUSII-SFYZADRCSA-N	-1	1	317.371	-1.318	20	0		DAADMM
CCS(=O)(=O)CC(=O)NC[C@@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001442101632	928930964	/nfs/dbraw/zinc/93/09/64/928930964.db2.gz	BGTJZCKFHQUCAB-SSDOTTSWSA-N	-1	1	305.360	-1.461	20	0		DAADMM
CN(CCNC(=O)c1coc(C(N)=O)c1)Cc1nc(=O)n(C)[n-]1	ZINC001442484448	928948297	/nfs/dbraw/zinc/94/82/97/928948297.db2.gz	YPUBXKKQRJQJNC-UHFFFAOYSA-N	-1	1	322.325	-1.338	20	0		DAADMM
CN(CCNC(=O)CCCn1cncn1)Cc1nc(=O)n(C)[n-]1	ZINC001442574593	928953114	/nfs/dbraw/zinc/95/31/14/928953114.db2.gz	NMDPIBLKHHDCTB-UHFFFAOYSA-N	-1	1	322.373	-1.272	20	0		DAADMM
COCC(=O)NC[C@H](C)N(C)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001442641588	928959596	/nfs/dbraw/zinc/95/95/96/928959596.db2.gz	WKTXAHXSNCOEMQ-QMMMGPOBSA-N	-1	1	322.325	-1.359	20	0		DAADMM
CCC(=O)NCC(=O)N[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001443422615	929005532	/nfs/dbraw/zinc/00/55/32/929005532.db2.gz	JQSPWAKUPLLPMG-JTQLQIEISA-N	-1	1	324.385	-1.285	20	0		DAADMM
C[C@@H](C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1)S(C)(=O)=O	ZINC001443486797	929008312	/nfs/dbraw/zinc/00/83/12/929008312.db2.gz	GMTRYCSTCFPGAY-ZETCQYMHSA-N	-1	1	317.371	-2.158	20	0		DAADMM
CC[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)NCc1n[nH]c(=O)[n-]1	ZINC001443972208	929038326	/nfs/dbraw/zinc/03/83/26/929038326.db2.gz	WLEPVZPVONVDCA-SFYZADRCSA-N	-1	1	311.346	-1.482	20	0		DAADMM
O=C(Nc1nnn[n-]1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	ZINC001444624650	929136430	/nfs/dbraw/zinc/13/64/30/929136430.db2.gz	PZCSJPKXQPYYAO-RQJHMYQMSA-N	-1	1	314.327	-1.826	20	0		DAADMM
O=C(Nc1nn[n-]n1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	ZINC001444624650	929136438	/nfs/dbraw/zinc/13/64/38/929136438.db2.gz	PZCSJPKXQPYYAO-RQJHMYQMSA-N	-1	1	314.327	-1.826	20	0		DAADMM
O=C(Nc1nnn[n-]1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	ZINC001444624624	929137144	/nfs/dbraw/zinc/13/71/44/929137144.db2.gz	PZCSJPKXQPYYAO-BQBZGAKWSA-N	-1	1	314.327	-1.826	20	0		DAADMM
O=C(Nc1nn[n-]n1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	ZINC001444624624	929137153	/nfs/dbraw/zinc/13/71/53/929137153.db2.gz	PZCSJPKXQPYYAO-BQBZGAKWSA-N	-1	1	314.327	-1.826	20	0		DAADMM
CN1CCO[C@H](C(=O)NC[C@@H](O)CNCc2n[nH]c(=O)[n-]2)C1	ZINC001445164504	929173908	/nfs/dbraw/zinc/17/39/08/929173908.db2.gz	VVDVOHQIGZHNME-IUCAKERBSA-N	-1	1	314.346	-2.592	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1ccc(=O)n(C)n1	ZINC001445493753	929226129	/nfs/dbraw/zinc/22/61/29/929226129.db2.gz	GJGVLJYVEOLHIJ-SSDOTTSWSA-N	-1	1	307.314	-1.488	20	0		DAADMM
CCN1CCOC[C@H]1C(=O)N[C@@H](C)CNCc1n[nH]c(=O)[n-]1	ZINC001445573698	929236063	/nfs/dbraw/zinc/23/60/63/929236063.db2.gz	VPRKUUXKEVMOEE-UWVGGRQHSA-N	-1	1	312.374	-1.175	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1nccnc1N	ZINC001445688713	929252059	/nfs/dbraw/zinc/25/20/59/929252059.db2.gz	PKCKBHPKLGXHBX-MRVPVSSYSA-N	-1	1	320.357	-1.269	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)Cn1cncn1	ZINC001445859392	929261871	/nfs/dbraw/zinc/26/18/71/929261871.db2.gz	LCTZOKPCKGMWKM-SECBINFHSA-N	-1	1	308.346	-1.663	20	0		DAADMM
Cn1cc(C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)nn1	ZINC001445941734	929266345	/nfs/dbraw/zinc/26/63/45/929266345.db2.gz	PAMYAVRJVJRSPS-QMMMGPOBSA-N	-1	1	306.330	-1.063	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)C[C@H]2COC(=O)C2)nc1=O	ZINC001446029191	929269225	/nfs/dbraw/zinc/26/92/25/929269225.db2.gz	AFPSDPZYWPCDNO-ZJUUUORDSA-N	-1	1	323.353	-1.248	20	0		DAADMM
Cc1nnc(CC(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)o1	ZINC001446038212	929270649	/nfs/dbraw/zinc/27/06/49/929270649.db2.gz	RFOXNRQXJQSANO-SECBINFHSA-N	-1	1	321.341	-1.267	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)CCn2ccnn2)nc1=O	ZINC001446052195	929271142	/nfs/dbraw/zinc/27/11/42/929271142.db2.gz	YJXMZIMHQDPBQE-JTQLQIEISA-N	-1	1	320.357	-1.519	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)[C@H]3CC3(F)F)C2)nc1=O	ZINC001446834034	929333553	/nfs/dbraw/zinc/33/35/53/929333553.db2.gz	LFZFRKYGAYYVAD-SSDOTTSWSA-N	-1	1	317.296	-1.574	20	0		DAADMM
CO[C@@H](C)CC(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001446840926	929335435	/nfs/dbraw/zinc/33/54/35/929335435.db2.gz	YYUJLSVMEZUSSE-VIFPVBQESA-N	-1	1	313.358	-1.804	20	0		DAADMM
CCNS(=O)(=O)[C@H]1CCN(C(=O)CCc2nn[n-]n2)C1	ZINC001446978674	929357544	/nfs/dbraw/zinc/35/75/44/929357544.db2.gz	FEBVWUGBLIUFMZ-QMMMGPOBSA-N	-1	1	302.360	-1.328	20	0		DAADMM
O=C(Cc1cnc[nH]1)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001447135015	929371760	/nfs/dbraw/zinc/37/17/60/929371760.db2.gz	KYBVCCULODDGLC-JTQLQIEISA-N	-1	1	321.341	-1.207	20	0		DAADMM
C[C@@H](CN(C)C(=O)C1(CS(C)(=O)=O)COC1)c1nn[n-]n1	ZINC001447359258	929387936	/nfs/dbraw/zinc/38/79/36/929387936.db2.gz	DCIIJSNSMUDPCW-QMMMGPOBSA-N	-1	1	317.371	-1.177	20	0		DAADMM
O=C(CO)NCCC(=O)N1CCSC[C@H]1c1nn[n-]n1	ZINC001448021594	929423388	/nfs/dbraw/zinc/42/33/88/929423388.db2.gz	QWKCHYITBKOOMW-ZETCQYMHSA-N	-1	1	300.344	-1.685	20	0		DAADMM
O=C(c1nc2n(n1)CCCN2)N1CCC[C@H](c2nn[n-]n2)C1	ZINC001448129787	929432161	/nfs/dbraw/zinc/43/21/61/929432161.db2.gz	FSAGQPXWSSIVKX-QMMMGPOBSA-N	-1	1	303.330	-1.116	20	0		DAADMM
C[C@H]1C[C@H]1C(=O)NC1(CCO)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001448157975	929434984	/nfs/dbraw/zinc/43/49/84/929434984.db2.gz	PGCAZQLCUGKYMM-VHSXEESVSA-N	-1	1	309.370	-1.183	20	0		DAADMM
CCn1cc(CC(=O)N2CCC(O)(c3nn[n-]n3)CC2)nn1	ZINC001448349370	929449877	/nfs/dbraw/zinc/44/98/77/929449877.db2.gz	NBAIYQSKHVVEJP-UHFFFAOYSA-N	-1	1	306.330	-1.136	20	0		DAADMM
C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)NCc1n[nH]c(=O)[n-]1	ZINC001448727536	929467728	/nfs/dbraw/zinc/46/77/28/929467728.db2.gz	WLZBDRGFEPIVFB-YUMQZZPRSA-N	-1	1	311.346	-1.530	20	0		DAADMM
C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)NCc1n[nH]c(=O)[n-]1	ZINC001448727533	929468313	/nfs/dbraw/zinc/46/83/13/929468313.db2.gz	WLZBDRGFEPIVFB-JGVFFNPUSA-N	-1	1	311.346	-1.530	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)CCn2cccn2)nc1=O	ZINC001448818698	929481038	/nfs/dbraw/zinc/48/10/38/929481038.db2.gz	PPUZCQXUCUAPJY-JTQLQIEISA-N	-1	1	323.357	-2.038	20	0		DAADMM
CO[C@H](C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1)C1CC1	ZINC001448823048	929482876	/nfs/dbraw/zinc/48/28/76/929482876.db2.gz	GNYTYSFBARAGLB-ONGXEEELSA-N	-1	1	313.358	-1.900	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)Cc2cccnc2)nc1=O	ZINC001448842801	929493635	/nfs/dbraw/zinc/49/36/35/929493635.db2.gz	SSLYDGIHIDGMQN-NSHDSACASA-N	-1	1	320.353	-1.687	20	0		DAADMM
Cc1coc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)c1	ZINC001448899131	929511731	/nfs/dbraw/zinc/51/17/31/929511731.db2.gz	SWDABGHSAYLHIC-SECBINFHSA-N	-1	1	309.326	-1.110	20	0		DAADMM
Cc1c[nH]cc1C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001448950255	929525812	/nfs/dbraw/zinc/52/58/12/929525812.db2.gz	YYEHHWDZICGNBH-VIFPVBQESA-N	-1	1	308.342	-1.375	20	0		DAADMM
CN(CCNC(=O)[C@H]1CN(C)C(=O)N1)C(=O)c1ncccc1[O-]	ZINC001449096335	929537947	/nfs/dbraw/zinc/53/79/47/929537947.db2.gz	KRNWQJMGTCCRKL-SECBINFHSA-N	-1	1	321.337	-1.001	20	0		DAADMM
CN(CCNC(=O)[C@@H]1CN(C)C(=O)N1)C(=O)c1ncccc1[O-]	ZINC001449096338	929538314	/nfs/dbraw/zinc/53/83/14/929538314.db2.gz	KRNWQJMGTCCRKL-VIFPVBQESA-N	-1	1	321.337	-1.001	20	0		DAADMM
COCC(=O)N(C)C[C@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001450885860	929629564	/nfs/dbraw/zinc/62/95/64/929629564.db2.gz	ASFOSSMLWMDCFK-QMMMGPOBSA-N	-1	1	322.325	-1.359	20	0		DAADMM
CCOC[C@H]1CN(C(=O)[C@@]2(C(=O)[O-])CNCCO2)CCO1	ZINC001522198444	929667241	/nfs/dbraw/zinc/66/72/41/929667241.db2.gz	YFCPUZWLUWTMLL-ZWNOBZJWSA-N	-1	1	302.327	-1.307	20	0		DAADMM
CCOC[C@@H]1CN(C(=O)[C@]2(C(=O)[O-])CNCCO2)CCO1	ZINC001522198441	929667514	/nfs/dbraw/zinc/66/75/14/929667514.db2.gz	YFCPUZWLUWTMLL-GWCFXTLKSA-N	-1	1	302.327	-1.307	20	0		DAADMM
COCC(=O)N[C@@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001524102917	929737352	/nfs/dbraw/zinc/73/73/52/929737352.db2.gz	PGZPJVASCXPREE-MRVPVSSYSA-N	-1	1	320.309	-1.605	20	0		DAADMM
C[C@H]1C[C@H]1C(=O)N1CC(NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001530540594	929855941	/nfs/dbraw/zinc/85/59/41/929855941.db2.gz	IOSJKSXSOOHUCA-GXSJLCMTSA-N	-1	1	320.349	-1.090	20	0		DAADMM
O=C(Cn1ncnn1)NCC1CN(C(=O)c2ncccc2[O-])C1	ZINC001530776755	929869143	/nfs/dbraw/zinc/86/91/43/929869143.db2.gz	OECAYYXZJNJECV-UHFFFAOYSA-N	-1	1	317.309	-1.338	20	0		DAADMM
CO[C@H](C)C(=O)N[C@H](C)CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001533653482	929955473	/nfs/dbraw/zinc/95/54/73/929955473.db2.gz	RHOGTHWIDXCYDP-HTQZYQBOSA-N	-1	1	322.325	-1.313	20	0		DAADMM
COCCC(=O)N[C@@H](C)CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001533950960	929959999	/nfs/dbraw/zinc/95/99/99/929959999.db2.gz	RABKTYRWWKBHNW-QMMMGPOBSA-N	-1	1	322.325	-1.311	20	0		DAADMM
CO[N-]C(=O)CNC(=O)c1ccc(NS(C)(=O)=O)nc1	ZINC001539091777	930022373	/nfs/dbraw/zinc/02/23/73/930022373.db2.gz	UVYCMASJUVHJLI-UHFFFAOYSA-N	-1	1	302.312	-1.140	20	0		DAADMM
C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC001548690967	930036369	/nfs/dbraw/zinc/03/63/69/930036369.db2.gz	JPMPXKJXGOTNBZ-UWVGGRQHSA-N	-1	1	318.399	-2.043	20	0		DAADMM
C[C@H]1CN2CCN1C[C@H]2C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC001548690967	930036374	/nfs/dbraw/zinc/03/63/74/930036374.db2.gz	JPMPXKJXGOTNBZ-UWVGGRQHSA-N	-1	1	318.399	-2.043	20	0		DAADMM
CN1CCO[C@H](C(=O)N2CCSC[C@@H]2c2nn[n-]n2)C1=O	ZINC001556270102	930078755	/nfs/dbraw/zinc/07/87/55/930078755.db2.gz	JSAZSOFQSBNHGU-SFYZADRCSA-N	-1	1	312.355	-1.327	20	0		DAADMM
CN1CCO[C@@H](C(=O)N2CCSC[C@H]2c2nn[n-]n2)C1=O	ZINC001556270101	930079012	/nfs/dbraw/zinc/07/90/12/930079012.db2.gz	JSAZSOFQSBNHGU-JGVFFNPUSA-N	-1	1	312.355	-1.327	20	0		DAADMM
CN1CCO[C@@H](C(=O)N2CCSC[C@@H]2c2nn[n-]n2)C1=O	ZINC001556270100	930079191	/nfs/dbraw/zinc/07/91/91/930079191.db2.gz	JSAZSOFQSBNHGU-HTQZYQBOSA-N	-1	1	312.355	-1.327	20	0		DAADMM
Cn1nnnc1CCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001558754706	930088127	/nfs/dbraw/zinc/08/81/27/930088127.db2.gz	VFQVOCFIXOEUHV-UHFFFAOYSA-N	-1	1	307.314	-1.801	20	0		DAADMM
COc1cc(S(=O)(=O)[N-]CCN2C(=O)CNC2=O)sn1	ZINC001561241113	930091899	/nfs/dbraw/zinc/09/18/99/930091899.db2.gz	ARZLRRJBICSYDX-UHFFFAOYSA-N	-1	1	320.352	-1.018	20	0		DAADMM
CC(=O)N[C@H]1CCN(C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)C1	ZINC001573496678	946327823	/nfs/dbraw/zinc/32/78/23/946327823.db2.gz	ACAJVEVQLZYELH-APPZFPTMSA-N	-1	1	319.329	-1.244	20	0		DAADMM
CC(=O)N[C@H]1CCCN(C(=O)Cn2cc(-c3nn[n-]n3)nn2)C1	ZINC001573497238	946344986	/nfs/dbraw/zinc/34/49/86/946344986.db2.gz	OLNIOZUEEWSRCV-VIFPVBQESA-N	-1	1	319.329	-1.415	20	0		DAADMM
CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O	ZINC001573497750	946354985	/nfs/dbraw/zinc/35/49/85/946354985.db2.gz	WJIRNSMOHNVYNN-SCZZXKLOSA-N	-1	1	304.314	-1.268	20	0		DAADMM
CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O	ZINC001573497750	946354988	/nfs/dbraw/zinc/35/49/88/946354988.db2.gz	WJIRNSMOHNVYNN-SCZZXKLOSA-N	-1	1	304.314	-1.268	20	0		DAADMM
CC(=O)N[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C1	ZINC001573498248	946361095	/nfs/dbraw/zinc/36/10/95/946361095.db2.gz	YIQOYXKVWIUDAI-SSDOTTSWSA-N	-1	1	320.313	-2.032	20	0		DAADMM
CC(=O)NCC(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1	ZINC001573520033	946590083	/nfs/dbraw/zinc/59/00/83/946590083.db2.gz	ALVYOTRCCKAZTJ-UHFFFAOYSA-N	-1	1	319.329	-1.655	20	0		DAADMM
CC(=O)NCC(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1	ZINC001573520033	946590104	/nfs/dbraw/zinc/59/01/04/946590104.db2.gz	ALVYOTRCCKAZTJ-UHFFFAOYSA-N	-1	1	319.329	-1.655	20	0		DAADMM
CC(=O)NCC(=O)NCCN(C)c1nccnc1-c1nnn[n-]1	ZINC001573520125	946592501	/nfs/dbraw/zinc/59/25/01/946592501.db2.gz	DPHNHXRBXIMOSY-UHFFFAOYSA-N	-1	1	319.329	-1.655	20	0		DAADMM
CC(=O)NCC(=O)NCCN(C)c1nccnc1-c1nn[n-]n1	ZINC001573520125	946592512	/nfs/dbraw/zinc/59/25/12/946592512.db2.gz	DPHNHXRBXIMOSY-UHFFFAOYSA-N	-1	1	319.329	-1.655	20	0		DAADMM
CC(=O)NCC(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1	ZINC001573520609	946598484	/nfs/dbraw/zinc/59/84/84/946598484.db2.gz	MFHIEFRDNYQHSU-UHFFFAOYSA-N	-1	1	319.329	-1.655	20	0		DAADMM
CC(=O)NCC(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1	ZINC001573521699	946610285	/nfs/dbraw/zinc/61/02/85/946610285.db2.gz	BEKRMDKPMOYWJN-ZETCQYMHSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1	ZINC001573521699	946610296	/nfs/dbraw/zinc/61/02/96/946610296.db2.gz	BEKRMDKPMOYWJN-ZETCQYMHSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1	ZINC001573528429	946661362	/nfs/dbraw/zinc/66/13/62/946661362.db2.gz	BTQWEBRZUZENRM-SECBINFHSA-N	-1	1	304.314	-1.002	20	0		DAADMM
CC(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1	ZINC001573528429	946661368	/nfs/dbraw/zinc/66/13/68/946661368.db2.gz	BTQWEBRZUZENRM-SECBINFHSA-N	-1	1	304.314	-1.002	20	0		DAADMM
CC(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1	ZINC001573528544	946664210	/nfs/dbraw/zinc/66/42/10/946664210.db2.gz	DJCQWTWKVBJKHM-VIFPVBQESA-N	-1	1	304.314	-1.002	20	0		DAADMM
CC(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1	ZINC001573528544	946664215	/nfs/dbraw/zinc/66/42/15/946664215.db2.gz	DJCQWTWKVBJKHM-VIFPVBQESA-N	-1	1	304.314	-1.002	20	0		DAADMM
CC(=O)OCCn1c(=O)c(-c2nn[n-]n2)c(C)n(CCO)c1=O	ZINC001573551124	946868148	/nfs/dbraw/zinc/86/81/48/946868148.db2.gz	GQTBIGFRMJEWFQ-UHFFFAOYSA-N	-1	1	324.297	-1.946	20	0		DAADMM
C=C=CCNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001573301226	947133305	/nfs/dbraw/zinc/13/33/05/947133305.db2.gz	UTYKOGWYBHUXFX-UHFFFAOYSA-N	-1	1	303.282	-1.024	20	0		DAADMM
C[C@H](C(=O)N(C)Cc1nncn1C)n1cnc(-c2nn[n-]n2)n1	ZINC001573603907	947500338	/nfs/dbraw/zinc/50/03/38/947500338.db2.gz	LNBAFKHNIHWCMP-SSDOTTSWSA-N	-1	1	317.317	-1.194	20	0		DAADMM
C[C@H](C(=O)N1C[C@H](O)C[C@@]1(C)CO)n1cnc(-c2nn[n-]n2)n1	ZINC001573614715	947589659	/nfs/dbraw/zinc/58/96/59/947589659.db2.gz	OEVUNBDGJKCIBI-RWYTXXIDSA-N	-1	1	322.329	-1.637	20	0		DAADMM
C[C@@H](C(=O)N1CCC(C(N)=O)CC1)n1cnc(-c2nn[n-]n2)n1	ZINC001573615906	947612956	/nfs/dbraw/zinc/61/29/56/947612956.db2.gz	UGQTXQSLCKWYGP-ZETCQYMHSA-N	-1	1	319.329	-1.257	20	0		DAADMM
C[C@H](C(=O)N1CCC(C(N)=O)CC1)n1cnc(-c2nn[n-]n2)n1	ZINC001573615898	947613302	/nfs/dbraw/zinc/61/33/02/947613302.db2.gz	UGQTXQSLCKWYGP-SSDOTTSWSA-N	-1	1	319.329	-1.257	20	0		DAADMM
C[C@H](C(=O)N1CCC(O)(CO)CC1)n1cnc(-c2nn[n-]n2)n1	ZINC001573622894	947682724	/nfs/dbraw/zinc/68/27/24/947682724.db2.gz	CIPVFLDGHGUTJE-MRVPVSSYSA-N	-1	1	322.329	-1.635	20	0		DAADMM
C[C@H](C(=O)N1CCc2n[nH]nc2C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573647317	947889314	/nfs/dbraw/zinc/88/93/14/947889314.db2.gz	HTXBAFIBRLWCBC-ZCFIWIBFSA-N	-1	1	315.301	-1.278	20	0		DAADMM
C[C@H](C(=O)N[C@@H](CO)[C@@H]1CCOC1)n1cnc(-c2nn[n-]n2)n1	ZINC001573654487	947967387	/nfs/dbraw/zinc/96/73/87/947967387.db2.gz	RMRBELOLUAZWDG-HLTSFMKQSA-N	-1	1	322.329	-1.467	20	0		DAADMM
CC(=O)N1CCN(C(=O)CNC2(C(=O)[O-])CCOCC2)CC1	ZINC001602745294	971448522	/nfs/dbraw/zinc/44/85/22/971448522.db2.gz	YTUOTFGMWBSXSD-UHFFFAOYSA-N	-1	1	313.354	-1.100	20	0		DAADMM
C[C@@H](C(=O)N[C@@H]1C(=O)NCC1(C)C)n1cnc(-c2nn[n-]n2)n1	ZINC001573664370	948052424	/nfs/dbraw/zinc/05/24/24/948052424.db2.gz	UTXOAEYGVJCBLC-NKWVEPMBSA-N	-1	1	319.329	-1.340	20	0		DAADMM
C[C@H](C(=O)NC1CC(CC(N)=O)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573664950	948065960	/nfs/dbraw/zinc/06/59/60/948065960.db2.gz	ZEMLTSWJLZCOPA-JECWYVHBSA-N	-1	1	319.329	-1.211	20	0		DAADMM
C[C@@H](C(=O)N[C@H]1CCN(C(N)=O)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573674608	948119661	/nfs/dbraw/zinc/11/96/61/948119661.db2.gz	OOWGSPDCPGUFMQ-BQBZGAKWSA-N	-1	1	320.317	-1.712	20	0		DAADMM
C[C@H](C(=O)NCCC[S@@](C)=O)n1cnc(-c2nn[n-]n2)n1	ZINC001573713765	948468120	/nfs/dbraw/zinc/46/81/20/948468120.db2.gz	BJNDUWQEBHSVSY-WODJRTHDSA-N	-1	1	312.359	-1.096	20	0		DAADMM
C[C@@H](C(=O)NCCn1cnc(-c2nn[n-]n2)n1)S(C)(=O)=O	ZINC001573716864	948500858	/nfs/dbraw/zinc/50/08/58/948500858.db2.gz	IQUWMVYFYXGVDM-LURJTMIESA-N	-1	1	314.331	-1.993	20	0		DAADMM
C[C@@H](C(=O)N[C@H](CO)c1ncc[nH]1)n1cnc(-c2nn[n-]n2)n1	ZINC001570921437	948619779	/nfs/dbraw/zinc/61/97/79/948619779.db2.gz	AJEIPKCMLCSYTE-NKWVEPMBSA-N	-1	1	318.301	-1.408	20	0		DAADMM
C[C@@H](C(=O)NCC[C@@H]1CNC(=O)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001570921734	948626103	/nfs/dbraw/zinc/62/61/03/948626103.db2.gz	MUPKMBYQIMWEGW-YUMQZZPRSA-N	-1	1	319.329	-1.338	20	0		DAADMM
C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C1N=NC(=O)N1C	ZINC001570921717	948627198	/nfs/dbraw/zinc/62/71/98/948627198.db2.gz	MCUUDQWONSCBOW-YFKPBYRVSA-N	-1	1	319.289	-1.830	20	0		DAADMM
Cc1c(-c2nn[n-]n2)c(=O)n(Cc2ccno2)c(=O)n1CCO	ZINC001570921755	948627222	/nfs/dbraw/zinc/62/72/22/948627222.db2.gz	NNUFNAWIRMWTKN-UHFFFAOYSA-N	-1	1	319.281	-1.473	20	0		DAADMM
C[C@H]1CN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1	ZINC001570921870	948629766	/nfs/dbraw/zinc/62/97/66/948629766.db2.gz	BQTUXWZGPAJRSQ-ZETCQYMHSA-N	-1	1	321.297	-1.624	20	0		DAADMM
COC(=O)c1ccc(N2CC(CO)(CO)C2)c(-c2nnn[n-]2)n1	ZINC001570921858	948630326	/nfs/dbraw/zinc/63/03/26/948630326.db2.gz	BACIFECKBYHZOH-UHFFFAOYSA-N	-1	1	320.309	-1.161	20	0		DAADMM
COC(=O)c1ccc(N2CC(CO)(CO)C2)c(-c2nn[n-]n2)n1	ZINC001570921858	948630329	/nfs/dbraw/zinc/63/03/29/948630329.db2.gz	BACIFECKBYHZOH-UHFFFAOYSA-N	-1	1	320.309	-1.161	20	0		DAADMM
Cn1nncc1S(=O)(=O)NCc1ccnc(-c2nnn[n-]2)c1	ZINC001570921987	948630898	/nfs/dbraw/zinc/63/08/98/948630898.db2.gz	DMIYCNUJGXSOKX-UHFFFAOYSA-N	-1	1	321.326	-1.131	20	0		DAADMM
Cn1nncc1S(=O)(=O)NCc1ccnc(-c2nn[n-]n2)c1	ZINC001570921987	948630903	/nfs/dbraw/zinc/63/09/03/948630903.db2.gz	DMIYCNUJGXSOKX-UHFFFAOYSA-N	-1	1	321.326	-1.131	20	0		DAADMM
C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1nncn1C	ZINC001570921979	948631015	/nfs/dbraw/zinc/63/10/15/948631015.db2.gz	RQWOGTFSHWUGGX-RXMQYKEDSA-N	-1	1	318.301	-1.032	20	0		DAADMM
C[C@@H]1C[C@H]1NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001570922003	948631469	/nfs/dbraw/zinc/63/14/69/948631469.db2.gz	DSSRQECMOJXBOJ-HTRCEHHLSA-N	-1	1	320.313	-1.163	20	0		DAADMM
O=C(Cn1cc(-c2nn[n-]n2)nn1)NC(=O)NCC(F)(F)F	ZINC001570921970	948631794	/nfs/dbraw/zinc/63/17/94/948631794.db2.gz	RNLOCNAQDWKSHO-UHFFFAOYSA-N	-1	1	319.207	-1.154	20	0		DAADMM
C[C@@H](C(=O)N[C@@H]1CC[C@H](C(N)=O)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573740739	948641299	/nfs/dbraw/zinc/64/12/99/948641299.db2.gz	NQUNVKDVCPYKEV-BIIVOSGPSA-N	-1	1	319.329	-1.211	20	0		DAADMM
Cn1c(=O)[nH]c(N2CCC[C@@H](C(N)=O)C2)c(-c2nn[n-]n2)c1=O	ZINC001570922444	948642492	/nfs/dbraw/zinc/64/24/92/948642492.db2.gz	IXOWQZIODWMRQX-ZCFIWIBFSA-N	-1	1	320.313	-2.045	20	0		DAADMM
C[C@H]1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[S@]1=O	ZINC001570922690	948645645	/nfs/dbraw/zinc/64/56/45/948645645.db2.gz	LXMWMRJCFRVEJB-QSIZCVBASA-N	-1	1	324.370	-1.172	20	0		DAADMM
O=C(Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)NCCN1CCC1	ZINC001570923236	948658223	/nfs/dbraw/zinc/65/82/23/948658223.db2.gz	VTAQTZSTMOFQIB-UHFFFAOYSA-N	-1	1	320.313	-2.049	20	0		DAADMM
O=C(NCCn1cnc(-c2nn[n-]n2)n1)NC1CC(CCO)C1	ZINC001570923392	948662545	/nfs/dbraw/zinc/66/25/45/948662545.db2.gz	ZARLZJSBVCEWKK-UHFFFAOYSA-N	-1	1	321.345	-1.082	20	0		DAADMM
C[C@H](C(=O)Nn1ccc(=O)[nH]c1=O)n1cnc(-c2nn[n-]n2)n1	ZINC001573755341	948760195	/nfs/dbraw/zinc/76/01/95/948760195.db2.gz	PLKQLQUSCLJPAN-RXMQYKEDSA-N	-1	1	318.257	-1.948	20	0		DAADMM
Cn1c(=O)[nH]c(SCCc2nn[nH]n2)c(-c2nn[n-]n2)c1=O	ZINC001570929945	948795366	/nfs/dbraw/zinc/79/53/66/948795366.db2.gz	CRDLDVUOLJJLDY-UHFFFAOYSA-N	-1	1	322.314	-1.898	20	0		DAADMM
CCO[C@@H]1COC[C@H]1NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1	ZINC001570931763	948855924	/nfs/dbraw/zinc/85/59/24/948855924.db2.gz	NHFUULQVJMMJGS-DJLDLDEBSA-N	-1	1	322.329	-1.061	20	0		DAADMM
CO[C@@H]1COC[C@@H]1Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC001570932963	948866736	/nfs/dbraw/zinc/86/67/36/948866736.db2.gz	ZOTXIJKFYFEMLN-NKWVEPMBSA-N	-1	1	323.313	-1.910	20	0		DAADMM
CC(C)[C@H](O)CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001574083876	948894414	/nfs/dbraw/zinc/89/44/14/948894414.db2.gz	ZJTUKDGYBAOEDY-MRVPVSSYSA-N	-1	1	323.313	-1.738	20	0		DAADMM
Cc1[nH][nH]c(=O)c1CCNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC001575866501	949412496	/nfs/dbraw/zinc/41/24/96/949412496.db2.gz	UGENHYNRXLFCPT-SSDOTTSWSA-N	-1	1	318.301	-1.914	20	0		DAADMM
C[C@H]1[C@H](CO)CCCN1c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1	ZINC001575870891	949501656	/nfs/dbraw/zinc/50/16/56/949501656.db2.gz	WWZKCIZJHDSMEI-YUMQZZPRSA-N	-1	1	321.341	-1.149	20	0		DAADMM
C[C@@]1(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)CCNC(=O)C1	ZINC001575592277	950283459	/nfs/dbraw/zinc/28/34/59/950283459.db2.gz	GILGXNVQHRSORB-GFCCVEGCSA-N	-1	1	319.329	-1.509	20	0		DAADMM
C[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C[C@H]1CO	ZINC001576216116	950723978	/nfs/dbraw/zinc/72/39/78/950723978.db2.gz	YPGYJXJVRJVVND-YUMQZZPRSA-N	-1	1	321.341	-1.292	20	0		DAADMM
C[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C[C@@H]1CO	ZINC001576216112	950725670	/nfs/dbraw/zinc/72/56/70/950725670.db2.gz	YPGYJXJVRJVVND-JGVFFNPUSA-N	-1	1	321.341	-1.292	20	0		DAADMM
O=C([O-])CCCCNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1	ZINC001595041082	951423076	/nfs/dbraw/zinc/42/30/76/951423076.db2.gz	NGTBGQRLUBRBAF-WDEREUQCSA-N	-1	1	313.354	-1.365	20	0		DAADMM
O=C([O-])CN1CC[C@@H](N2CCC3(CC2)NC(=O)NC3=O)C1=O	ZINC001595073836	951619617	/nfs/dbraw/zinc/61/96/17/951619617.db2.gz	JMMDKXFABYYGAM-MRVPVSSYSA-N	-1	1	310.310	-1.654	20	0		DAADMM
O=C([O-])CN1CC[C@@H](N2CCN(Cc3nnc[nH]3)CC2)C1=O	ZINC001595074163	951625657	/nfs/dbraw/zinc/62/56/57/951625657.db2.gz	MYABBFSTFDPNLR-SNVBAGLBSA-N	-1	1	308.342	-1.392	20	0		DAADMM
O=C([O-])CN1CCC[C@@H](C(=O)NCCN2CC[C@H](O)C2)C1=O	ZINC001595081543	951684136	/nfs/dbraw/zinc/68/41/36/951684136.db2.gz	BJDUAQOPSDEDFE-QWRGUYRKSA-N	-1	1	313.354	-1.508	20	0		DAADMM
O=C([O-])COCC(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21	ZINC001595107440	951886778	/nfs/dbraw/zinc/88/67/78/951886778.db2.gz	YEYINEZLSLDTFG-GXFFZTMASA-N	-1	1	302.327	-1.571	20	0		DAADMM
O=C([O-])Cn1cc(C(=O)NC[C@H]2CCCCN2CCO)nn1	ZINC001595141494	952081996	/nfs/dbraw/zinc/08/19/96/952081996.db2.gz	FPRSQTVCFLGJJI-SNVBAGLBSA-N	-1	1	311.342	-1.061	20	0		DAADMM
C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CC(N)=O	ZINC001575134705	952112298	/nfs/dbraw/zinc/11/22/98/952112298.db2.gz	OKGWIZOFGXNCNL-SSDOTTSWSA-N	-1	1	319.329	-1.209	20	0		DAADMM
C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CC(N)=O	ZINC001575134705	952112305	/nfs/dbraw/zinc/11/23/05/952112305.db2.gz	OKGWIZOFGXNCNL-SSDOTTSWSA-N	-1	1	319.329	-1.209	20	0		DAADMM
C[C@@H](C[S@@](C)=O)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1	ZINC001575185732	952434791	/nfs/dbraw/zinc/43/47/91/952434791.db2.gz	VGCUCLSSDBWUTF-XKDUVVNVSA-N	-1	1	313.343	-1.155	20	0		DAADMM
C[C@@H](C[S@](C)=O)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1	ZINC001575185731	952434987	/nfs/dbraw/zinc/43/49/87/952434987.db2.gz	VGCUCLSSDBWUTF-ODQUWNGUSA-N	-1	1	313.343	-1.155	20	0		DAADMM
CCc1cc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)[nH]n1	ZINC001593630851	953579902	/nfs/dbraw/zinc/57/99/02/953579902.db2.gz	JTAZHKPUFKTOGX-SNVBAGLBSA-N	-1	1	310.310	-1.100	20	0		DAADMM
C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCCOCCOCC(=O)[O-]	ZINC001589406743	954466004	/nfs/dbraw/zinc/46/60/04/954466004.db2.gz	KMJPMQMGHGUVEL-VXGBXAGGSA-N	-1	1	315.370	-1.391	20	0		DAADMM
C[C@@H]1CN2CCN1C[C@H]2C(=O)NCCOCCOCC(=O)[O-]	ZINC001589406740	954466579	/nfs/dbraw/zinc/46/65/79/954466579.db2.gz	KMJPMQMGHGUVEL-NEPJUHHUSA-N	-1	1	315.370	-1.391	20	0		DAADMM
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1C[C@@H](O)CO	ZINC001594897333	954580205	/nfs/dbraw/zinc/58/02/05/954580205.db2.gz	ZDRAVSLXKNZWRN-PRJMDXOYSA-N	-1	1	314.260	-1.064	20	0		DAADMM
CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001593781445	954672092	/nfs/dbraw/zinc/67/20/92/954672092.db2.gz	YQYUJLIIFPXDAL-OUAUKWLOSA-N	-1	1	312.370	-1.672	20	0		DAADMM
CN1CCN(CCCS(=O)(=O)NC[C@](C)(O)C(=O)[O-])CC1	ZINC001593784918	954688733	/nfs/dbraw/zinc/68/87/33/954688733.db2.gz	RUANXIPHHNZYOK-LBPRGKRZSA-N	-1	1	323.415	-1.621	20	0		DAADMM
O=C([O-])[C@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)CCO1	ZINC001594940758	954885312	/nfs/dbraw/zinc/88/53/12/954885312.db2.gz	NYPHWKYJIPVJKD-NWDGAFQWSA-N	-1	1	323.349	-1.229	20	0		DAADMM
O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)CCO1	ZINC001594940757	954885596	/nfs/dbraw/zinc/88/55/96/954885596.db2.gz	NYPHWKYJIPVJKD-NEPJUHHUSA-N	-1	1	323.349	-1.229	20	0		DAADMM
COC(=O)[C@]1(NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCOC1	ZINC001593814558	954987097	/nfs/dbraw/zinc/98/70/97/954987097.db2.gz	OYFGRQWGEOJCIN-KWQFWETISA-N	-1	1	322.339	-1.298	20	0		DAADMM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1nn[nH]n1	ZINC001594960225	955009783	/nfs/dbraw/zinc/00/97/83/955009783.db2.gz	SXURNJMNGZZFLR-LURJTMIESA-N	-1	1	303.300	-2.158	20	0		DAADMM
COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1CN2CCN1C[C@@H]2C	ZINC001593839822	955349846	/nfs/dbraw/zinc/34/98/46/955349846.db2.gz	XLLKBDANKMDXBA-WDEREUQCSA-N	-1	1	313.354	-1.149	20	0		DAADMM
C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C(=O)[O-]	ZINC001589037147	955558367	/nfs/dbraw/zinc/55/83/67/955558367.db2.gz	XCJVLPGLFNWKIC-NXEZZACHSA-N	-1	1	300.359	-1.815	20	0		DAADMM
C[C@H](CNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C)C(=O)[O-]	ZINC001589037147	955558379	/nfs/dbraw/zinc/55/83/79/955558379.db2.gz	XCJVLPGLFNWKIC-NXEZZACHSA-N	-1	1	300.359	-1.815	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)on1	ZINC001593875264	955660462	/nfs/dbraw/zinc/66/04/62/955660462.db2.gz	DUGNYNQGUXKRHM-JTQLQIEISA-N	-1	1	320.279	-1.017	20	0		DAADMM
CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(C(=O)CN(C)C)CC1	ZINC001593922227	956091687	/nfs/dbraw/zinc/09/16/87/956091687.db2.gz	HXTMRYYXCCPUNS-CYBMUJFWSA-N	-1	1	301.343	-1.292	20	0		DAADMM
O=C(CNC1(C(=O)[O-])CCOCC1)N[C@H]1CCS(=O)(=O)C1	ZINC001594696879	956776794	/nfs/dbraw/zinc/77/67/94/956776794.db2.gz	AWVICHBXKJWZPV-VIFPVBQESA-N	-1	1	320.367	-1.487	20	0		DAADMM
C[C@]12CN(CCS(=O)(=O)CC(=O)[O-])C[C@]1(C)C(=O)NC2=O	ZINC001589254590	956979902	/nfs/dbraw/zinc/97/99/02/956979902.db2.gz	ITPJAGDAEYPXPM-VXGBXAGGSA-N	-1	1	318.351	-1.530	20	0		DAADMM
C[C@]12CN(CCS(=O)(=O)CC(=O)[O-])C[C@@]1(C)C(=O)NC2=O	ZINC001589254589	956980317	/nfs/dbraw/zinc/98/03/17/956980317.db2.gz	ITPJAGDAEYPXPM-TXEJJXNPSA-N	-1	1	318.351	-1.530	20	0		DAADMM
COCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1	ZINC001594014408	957016867	/nfs/dbraw/zinc/01/68/67/957016867.db2.gz	DJYMGKPDEOOUSQ-WDEREUQCSA-N	-1	1	313.354	-1.244	20	0		DAADMM
O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC3)C2)CCO1	ZINC001594734552	957056264	/nfs/dbraw/zinc/05/62/64/957056264.db2.gz	CDVBYXYUDJMUKG-GXSJLCMTSA-N	-1	1	311.338	-1.349	20	0		DAADMM
O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)CCO1	ZINC001594734554	957056318	/nfs/dbraw/zinc/05/63/18/957056318.db2.gz	CDVBYXYUDJMUKG-MWLCHTKSSA-N	-1	1	311.338	-1.349	20	0		DAADMM
O=C([O-])Cn1cc(C(=O)N[C@@H](CO)CN2CCCCC2)nn1	ZINC001574738158	957674654	/nfs/dbraw/zinc/67/46/54/957674654.db2.gz	NRGFWIQBVSZDEA-SNVBAGLBSA-N	-1	1	311.342	-1.061	20	0		DAADMM
C[C@H](NC(=O)CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C(=O)N(C)C	ZINC001603220165	972340116	/nfs/dbraw/zinc/34/01/16/972340116.db2.gz	IAFDFEVPFXTIPX-IMSIIYSGSA-N	-1	1	313.354	-1.388	20	0		DAADMM
O=C([O-])c1cncc(NC(=O)C(=O)NCCN2CC[C@H](O)C2)c1	ZINC001605780840	972493012	/nfs/dbraw/zinc/49/30/12/972493012.db2.gz	YOBGKSWJVIYQCW-NSHDSACASA-N	-1	1	322.321	-1.099	20	0		DAADMM
O=C([O-])CN1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1	ZINC001571103125	961254667	/nfs/dbraw/zinc/25/46/67/961254667.db2.gz	XDWKSPIZGDLXDJ-SECBINFHSA-N	-1	1	309.326	-1.225	20	0		DAADMM
C[C@H](NC(=O)[C@H](C)NC(=O)NCCN1CC[C@H](O)C1)C(=O)[O-]	ZINC001571131757	961564162	/nfs/dbraw/zinc/56/41/62/961564162.db2.gz	SEGJPKRREXHHEJ-GUBZILKMSA-N	-1	1	316.358	-1.670	20	0		DAADMM
COC[C@@]1(C(=O)[O-])CN(C(=O)CCCc2nn[nH]n2)CCO1	ZINC001574142092	962583538	/nfs/dbraw/zinc/58/35/38/962583538.db2.gz	RXVLGTWBAVRPAS-GFCCVEGCSA-N	-1	1	313.314	-1.149	20	0		DAADMM
COCCN1C[C@@H](C(=O)N2CCN(CC(=O)[O-])CC2)CC1=O	ZINC000314510178	963762276	/nfs/dbraw/zinc/76/22/76/963762276.db2.gz	PNAKLKIYQPUJRW-NSHDSACASA-N	-1	1	313.354	-1.290	20	0		DAADMM
CN1C(=O)C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])no2)C1=O	ZINC000315395839	963895505	/nfs/dbraw/zinc/89/55/05/963895505.db2.gz	AHEFDGWTSXTQPL-BYPYZUCNSA-N	-1	1	303.252	-1.592	20	0		DAADMM
O=C([O-])c1cc(S(=O)(=O)NCC(=O)N2CCOCC2)on1	ZINC000315488490	963907989	/nfs/dbraw/zinc/90/79/89/963907989.db2.gz	WTFLUFWOOARKLV-UHFFFAOYSA-N	-1	1	319.295	-1.490	20	0		DAADMM
O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)on1	ZINC000315519093	963911546	/nfs/dbraw/zinc/91/15/46/963911546.db2.gz	AZEIRDCAOPPUNW-QMMMGPOBSA-N	-1	1	316.339	-1.349	20	0		DAADMM
O=C([O-])c1cc(S(=O)(=O)NCCN2CCOCC2)on1	ZINC000316088787	963974522	/nfs/dbraw/zinc/97/45/22/963974522.db2.gz	AKHKUWJFQWRLFK-UHFFFAOYSA-N	-1	1	305.312	-1.017	20	0		DAADMM
C[C@H](C(=O)N(C)C)S(=O)(=O)N(CCN(C)C)CC(=O)[O-]	ZINC001609696236	970455836	/nfs/dbraw/zinc/45/58/36/970455836.db2.gz	FCBIVSDNZWRUJX-SECBINFHSA-N	-1	1	309.388	-1.259	20	0		DAADMM
O=C([O-])C1(C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)CCOCC1	ZINC001605916129	972790386	/nfs/dbraw/zinc/79/03/86/972790386.db2.gz	JMQKWNFEKZWPMP-MRVPVSSYSA-N	-1	1	311.298	-1.019	20	0		DAADMM
COC(=O)C[C@]1(N[C@H]2CCN(CC(=O)[O-])C2=O)CCOC1	ZINC001604299072	972935365	/nfs/dbraw/zinc/93/53/65/972935365.db2.gz	PJWHCXXBRIBYBB-TVQRCGJNSA-N	-1	1	300.311	-1.016	20	0		DAADMM
CN(C[C@H](O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-])C1CC1	ZINC001606096432	973268812	/nfs/dbraw/zinc/26/88/12/973268812.db2.gz	YCCWYTAOEPYYDI-QWRGUYRKSA-N	-1	1	306.384	-1.375	20	0		DAADMM
C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CCN(C(=O)C(=O)[O-])CC1	ZINC001603470566	973337566	/nfs/dbraw/zinc/33/75/66/973337566.db2.gz	JTRFZHGBMDJPDZ-GHMZBOCLSA-N	-1	1	310.354	-1.870	20	0		DAADMM
O=C([O-])CS(=O)(=O)CCN[C@@H]1C(=O)NCC12CCOCC2	ZINC001606297454	973704972	/nfs/dbraw/zinc/70/49/72/973704972.db2.gz	RYPGEXFHOIWMLI-SNVBAGLBSA-N	-1	1	320.367	-1.629	20	0		DAADMM
O=C([O-])CS(=O)(=O)CCN[C@@H]1CCCN(CCO)C1=O	ZINC001606297868	973707270	/nfs/dbraw/zinc/70/72/70/973707270.db2.gz	XHQVIIUZGJQUIT-SECBINFHSA-N	-1	1	308.356	-1.941	20	0		DAADMM
O=C([O-])Cn1cc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)nn1	ZINC001606326798	973755457	/nfs/dbraw/zinc/75/54/57/973755457.db2.gz	WWOUGODEBVIGAJ-ZJUUUORDSA-N	-1	1	309.326	-1.356	20	0		DAADMM
O=C([O-])c1cc(S(=O)(=O)NCCN2C(=O)CCC2=O)on1	ZINC000405372875	973855133	/nfs/dbraw/zinc/85/51/33/973855133.db2.gz	RDSFQXCMDJBIIC-UHFFFAOYSA-N	-1	1	317.279	-1.200	20	0		DAADMM
CC(C)[C@H](NC(=O)CN1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1)C(=O)[O-]	ZINC001591870852	976204473	/nfs/dbraw/zinc/20/44/73/976204473.db2.gz	RVKOSPNKYPGHHF-NGZCFLSTSA-N	-1	1	311.338	-1.242	20	0		DAADMM
C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2OCCN(C)C2=O)CC1	ZINC001592410807	978007048	/nfs/dbraw/zinc/00/70/48/978007048.db2.gz	SDUWZXWAHCHFSQ-ZYHUDNBSSA-N	-1	1	313.354	-1.149	20	0		DAADMM
CCC[C@@H]1CNCCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC001595624161	981729287	/nfs/dbraw/zinc/72/92/87/981729287.db2.gz	NGPHWDXHNHGMOS-MNOVXSKESA-N	-1	1	313.354	-1.101	20	0		DAADMM
CCN1CCN(CC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)CC1	ZINC001596431507	984102144	/nfs/dbraw/zinc/10/21/44/984102144.db2.gz	WZRJGYAPWQRCNV-UHFFFAOYSA-N	-1	1	322.369	-1.003	20	0		DAADMM
CCNS(=O)(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	ZINC001596496037	984241545	/nfs/dbraw/zinc/24/15/45/984241545.db2.gz	RNYRCSZJYCRPSY-UHFFFAOYSA-N	-1	1	308.404	-1.525	20	0		DAADMM
C[C@H]1CN(C(=O)C2CNCCS2(=O)=O)CC[C@H]1C(=O)[O-]	ZINC001599912126	984999424	/nfs/dbraw/zinc/99/94/24/984999424.db2.gz	JMBIVQBHNDXCOG-IVZWLZJFSA-N	-1	1	304.368	-1.058	20	0		DAADMM
C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCS(=O)(=O)N1	ZINC001594516436	985903954	/nfs/dbraw/zinc/90/39/54/985903954.db2.gz	XGOXGICUBCMZJO-NXEZZACHSA-N	-1	1	319.383	-1.315	20	0		DAADMM
C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCS(=O)(=O)N1	ZINC001594516438	985904257	/nfs/dbraw/zinc/90/42/57/985904257.db2.gz	XGOXGICUBCMZJO-VHSXEESVSA-N	-1	1	319.383	-1.315	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1	ZINC001596968398	986182790	/nfs/dbraw/zinc/18/27/90/986182790.db2.gz	LFXUQDLZLJTJDC-VIFPVBQESA-N	-1	1	302.331	-1.288	20	0		DAADMM
CCS(=O)(=O)NCC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1	ZINC001597224614	987167929	/nfs/dbraw/zinc/16/79/29/987167929.db2.gz	FGZOUVZPQMWTPH-JTQLQIEISA-N	-1	1	321.399	-1.067	20	0		DAADMM
CCc1cc(CNC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)[nH]n1	ZINC001597471129	987928218	/nfs/dbraw/zinc/92/82/18/987928218.db2.gz	QRBBFGUJBRUPIZ-LDYMZIIASA-N	-1	1	324.337	-1.118	20	0		DAADMM
CN(C)CC(=O)N1CCN(CCc2cn(CC(=O)[O-])nn2)CC1	ZINC001598197279	990806016	/nfs/dbraw/zinc/80/60/16/990806016.db2.gz	YMAMMZPUEMNPLN-UHFFFAOYSA-N	-1	1	324.385	-1.389	20	0		DAADMM
CN(C)CC(=O)N1CCN(Cc2cn(CC(=O)[O-])nn2)CC1	ZINC001598197316	990806547	/nfs/dbraw/zinc/80/65/47/990806547.db2.gz	ZYGNVPSFVHSDTB-UHFFFAOYSA-N	-1	1	310.358	-1.432	20	0		DAADMM
CC(C)C(=O)N[C@@H](CO)C(=O)N1CCN(CC(=O)[O-])CC1	ZINC001590939490	990976136	/nfs/dbraw/zinc/97/61/36/990976136.db2.gz	WTOCXLGTZWJXGA-JTQLQIEISA-N	-1	1	301.343	-1.652	20	0		DAADMM
CN(C)S(=O)(=O)CCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC001598261603	991092528	/nfs/dbraw/zinc/09/25/28/991092528.db2.gz	GIFFNMUIDQCCQN-VIFPVBQESA-N	-1	1	318.355	-1.197	20	0		DAADMM
CN(CC(=O)[O-])C(=O)CCN[C@@](C)(Cn1cccn1)C(N)=O	ZINC001598409756	991730215	/nfs/dbraw/zinc/73/02/15/991730215.db2.gz	UEHGQVSUUYONLT-ZDUSSCGKSA-N	-1	1	311.342	-1.350	20	0		DAADMM
CN(CCNC(=O)C1(S(C)(=O)=O)CCOCC1)CC(=O)[O-]	ZINC001598489020	992254950	/nfs/dbraw/zinc/25/49/50/992254950.db2.gz	JECVESMZBFHPHS-UHFFFAOYSA-N	-1	1	322.383	-1.287	20	0		DAADMM
C[N@@H+](CCNS(=O)(=O)CCN1CCOC1=O)CC(=O)[O-]	ZINC001598495431	992352625	/nfs/dbraw/zinc/35/26/25/992352625.db2.gz	KQXAXNOQEBZLJW-UHFFFAOYSA-N	-1	1	309.344	-1.626	20	0		DAADMM
CN(Cc1nnc[nH]1)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001598541147	992902346	/nfs/dbraw/zinc/90/23/46/992902346.db2.gz	OGMSHXWDHDMUOZ-HTQZYQBOSA-N	-1	1	311.298	-1.943	20	0		DAADMM
CN1C(=O)[C@H]2CN(CC(=O)N3CCC(C(=O)[O-])CC3)C[C@H]2C1=O	ZINC001598556471	993062879	/nfs/dbraw/zinc/06/28/79/993062879.db2.gz	HSLYOZVGYLJIHP-PHIMTYICSA-N	-1	1	323.349	-1.144	20	0		DAADMM
CN1C[C@@H](O)C[C@]1(C)C(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001598569384	993178229	/nfs/dbraw/zinc/17/82/29/993178229.db2.gz	JFAJMGRIVVGKTM-TVQRCGJNSA-N	-1	1	301.343	-1.461	20	0		DAADMM
CN1CCC[C@H]1C(=O)NC[C@H](CO)Nc1ccnc(C(=O)[O-])n1	ZINC001598591974	993447218	/nfs/dbraw/zinc/44/72/18/993447218.db2.gz	BXTSCVPZZWDDMJ-ZJUUUORDSA-N	-1	1	323.353	-1.420	20	0		DAADMM
CN1CCC[C@@H]1C(=O)NC[C@H](CO)Nc1ccnc(C(=O)[O-])n1	ZINC001598591967	993447794	/nfs/dbraw/zinc/44/77/94/993447794.db2.gz	BXTSCVPZZWDDMJ-NXEZZACHSA-N	-1	1	323.353	-1.420	20	0		DAADMM
CN1CCN(C(=O)c2nc3n(n2)CCCN3)C[C@H](C(=O)[O-])C1	ZINC001598612466	993805369	/nfs/dbraw/zinc/80/53/69/993805369.db2.gz	SUHFGXXYFZMMGM-SECBINFHSA-N	-1	1	308.342	-1.560	20	0		DAADMM
CN1CCN(CCN(CC(=O)[O-])S(=O)(=O)C2COC2)CC1	ZINC001598616224	993885071	/nfs/dbraw/zinc/88/50/71/993885071.db2.gz	CEQPHNFRTKYLLR-UHFFFAOYSA-N	-1	1	321.399	-1.651	20	0		DAADMM
Cn1ncc(C(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])c1N	ZINC001598616400	993889642	/nfs/dbraw/zinc/88/96/42/993889642.db2.gz	GHHUHUQPQVSPBY-UHFFFAOYSA-N	-1	1	324.385	-1.224	20	0		DAADMM
CN1CCN(CCN(CC(=O)[O-])C(=O)Cn2nccc2N)CC1	ZINC001598617339	993913021	/nfs/dbraw/zinc/91/30/21/993913021.db2.gz	XWTCBYDHLGZZAS-UHFFFAOYSA-N	-1	1	324.385	-1.374	20	0		DAADMM
CN1CCN(CCCS(=O)(=O)N2CC(O)(C(=O)[O-])C2)CC1	ZINC001598617992	993930118	/nfs/dbraw/zinc/93/01/18/993930118.db2.gz	OHQMSPQMENWQBR-UHFFFAOYSA-N	-1	1	321.399	-1.915	20	0		DAADMM
CNC(=O)NC(=O)CN(C)CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001598651178	994445508	/nfs/dbraw/zinc/44/55/08/994445508.db2.gz	CDRSWCOFDXSHGI-DTWKUNHWSA-N	-1	1	314.342	-1.399	20	0		DAADMM
CNS(=O)(=O)CCN1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC001598671226	994760932	/nfs/dbraw/zinc/76/09/32/994760932.db2.gz	CHFVVFZSDOZZCE-BDAKNGLRSA-N	-1	1	308.356	-1.126	20	0		DAADMM
C[C@H](NS(C)(=O)=O)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C	ZINC001593347201	994953381	/nfs/dbraw/zinc/95/33/81/994953381.db2.gz	DFQDBCIJDDAXBY-UWVGGRQHSA-N	-1	1	321.399	-1.069	20	0		DAADMM
C[C@H](NS(C)(=O)=O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC001593352541	994967405	/nfs/dbraw/zinc/96/74/05/994967405.db2.gz	DBIZWMHVDSVBKP-POYBYMJQSA-N	-1	1	304.328	-1.541	20	0		DAADMM
C[C@H](O)c1cn(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])nn1	ZINC001593477252	995417186	/nfs/dbraw/zinc/41/71/86/995417186.db2.gz	NBIHTXPOJUZHJI-CBAPKCEASA-N	-1	1	308.298	-1.133	20	0		DAADMM
COC(=O)CC[C@@H](NC(=O)[C@H]1CN2CCN1C[C@@H]2C)C(=O)[O-]	ZINC001598856608	996642836	/nfs/dbraw/zinc/64/28/36/996642836.db2.gz	XRYWWHXYDXCNRT-HBNTYKKESA-N	-1	1	313.354	-1.103	20	0		DAADMM
CC1(C)CN(C(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)CCN1	ZINC001593927855	996867759	/nfs/dbraw/zinc/86/77/59/996867759.db2.gz	UVDZOPGMPNIEEQ-SNVBAGLBSA-N	-1	1	313.354	-1.101	20	0		DAADMM
COC[C@@]1(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CNCCO1	ZINC001599185524	997019014	/nfs/dbraw/zinc/01/90/14/997019014.db2.gz	ZUJKSMDPFWPRAA-GXFFZTMASA-N	-1	1	302.327	-1.307	20	0		DAADMM
COCc1nc(CNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)n[nH]1	ZINC001599306189	997319232	/nfs/dbraw/zinc/31/92/32/997319232.db2.gz	JHJRSOKNZSTSCF-HTQZYQBOSA-N	-1	1	313.314	-1.072	20	0		DAADMM
CO[C@@H]1CS(=O)(=O)[C@H]2CN(CCC(=O)NCC(=O)[O-])C[C@H]21	ZINC001599324495	997638871	/nfs/dbraw/zinc/63/88/71/997638871.db2.gz	ICMCYPXBRMWHTA-AEJSXWLSSA-N	-1	1	320.367	-1.679	20	0		DAADMM
COCC[C@@H]1CNCCN1C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC001599221320	997675288	/nfs/dbraw/zinc/67/52/88/997675288.db2.gz	NIOXDVUDTLIUEI-WDEREUQCSA-N	-1	1	313.354	-1.244	20	0		DAADMM
COCC[C@@H]1CNCCN1C(=O)C(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001599221635	997680820	/nfs/dbraw/zinc/68/08/20/997680820.db2.gz	XBWDVIMWASPPJI-AXFHLTTASA-N	-1	1	313.354	-1.340	20	0		DAADMM
COCCN(C)CCNC(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC001599230713	997847104	/nfs/dbraw/zinc/84/71/04/997847104.db2.gz	DRRKMBALFZXNKX-LLVKDONJSA-N	-1	1	313.354	-1.030	20	0		DAADMM
COCCN1CCCN(CCC(=O)NCC(=O)[O-])CC1=O	ZINC001599240067	998021928	/nfs/dbraw/zinc/02/19/28/998021928.db2.gz	HPXFNVXNFMPYOQ-UHFFFAOYSA-N	-1	1	301.343	-1.242	20	0		DAADMM
COC(=O)c1cn(CC(=O)N2CCN(CC(=O)[O-])CC2)nn1	ZINC001599006162	998856105	/nfs/dbraw/zinc/85/61/05/998856105.db2.gz	LMUBGXHXZUEFDI-UHFFFAOYSA-N	-1	1	311.298	-1.707	20	0		DAADMM
CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)Cc2nnc[nH]2)C1	ZINC001599067576	999308650	/nfs/dbraw/zinc/30/86/50/999308650.db2.gz	DYVOJZKOSXPXAR-LBPRGKRZSA-N	-1	1	311.298	-1.535	20	0		DAADMM
C[C@@H]1CN(C(=O)C(=O)NCCC(=O)NCCC(=O)[O-])CCN1	ZINC001594459129	999668078	/nfs/dbraw/zinc/66/80/78/999668078.db2.gz	UCUCRVWCTLMVPY-SECBINFHSA-N	-1	1	314.342	-2.096	20	0		DAADMM
C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CCN1CCC(=O)[O-]	ZINC001594471017	999703680	/nfs/dbraw/zinc/70/36/80/999703680.db2.gz	RPYRORVUDUUPOS-SECBINFHSA-N	-1	1	324.341	-1.616	20	0		DAADMM
CCOCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001191705589	781920013	/nfs/dbraw/zinc/92/00/13/781920013.db2.gz	YHHUQRLVRPOKEM-NXEZZACHSA-N	-1	1	313.358	-1.804	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001191747063	781922656	/nfs/dbraw/zinc/92/26/56/781922656.db2.gz	YFVDKHIBYJBEKQ-ZJUUUORDSA-N	-1	1	324.385	-1.347	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001191747062	781923007	/nfs/dbraw/zinc/92/30/07/781923007.db2.gz	YFVDKHIBYJBEKQ-VHSXEESVSA-N	-1	1	324.385	-1.347	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H](CO)CC2CC2)c(=O)n(C)c1=O	ZINC000677241520	545656652	/nfs/dbraw/zinc/65/66/52/545656652.db2.gz	ABBSSJUDVYGLMX-VIFPVBQESA-N	-1	1	317.367	-1.477	20	0		DAADMM
C[C@H](CCCCO)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000398424662	545660810	/nfs/dbraw/zinc/66/08/10/545660810.db2.gz	DIQRCHNIEIWLIL-SECBINFHSA-N	-1	1	319.383	-1.087	20	0		DAADMM
CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001192374610	781957299	/nfs/dbraw/zinc/95/72/99/781957299.db2.gz	FOZUVLDWZXQYAQ-MWLCHTKSSA-N	-1	1	308.338	-1.302	20	0		DAADMM
Cn1cnc(S(=O)(=O)[N-]CCNS(C)(=O)=O)c1Cl	ZINC000035216190	372791681	/nfs/dbraw/zinc/79/16/81/372791681.db2.gz	ZJBWXFXURQOGFZ-UHFFFAOYSA-N	-1	1	316.792	-1.099	20	0		DAADMM
C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)N(C)C	ZINC000045745287	372782486	/nfs/dbraw/zinc/78/24/86/372782486.db2.gz	STRMZYKGPAANJX-SSDOTTSWSA-N	-1	1	318.355	-2.161	20	0		DAADMM
COCCN(CCOC)S(=O)(=O)[N-][C@@H]1COCCC1=O	ZINC000625491330	372823753	/nfs/dbraw/zinc/82/37/53/372823753.db2.gz	PXHWPZFEYUYCOU-SNVBAGLBSA-N	-1	1	310.372	-1.226	20	0		DAADMM
CCS(=O)(=O)NCCS(=O)(=O)[N-][C@@H]1COCCC1=O	ZINC000625491754	372823975	/nfs/dbraw/zinc/82/39/75/372823975.db2.gz	HOVQTJYEJVUOLP-MRVPVSSYSA-N	-1	1	314.385	-1.797	20	0		DAADMM
O=C(NCc1nn[n-]n1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000600497157	372842629	/nfs/dbraw/zinc/84/26/29/372842629.db2.gz	JFVPHWYFJKALEB-SNVBAGLBSA-N	-1	1	323.357	-2.003	20	0		DAADMM
Cc1cc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)on1	ZINC000143487931	372895265	/nfs/dbraw/zinc/89/52/65/372895265.db2.gz	QUUUTSIPNAJKNC-UHFFFAOYSA-N	-1	1	314.323	-1.141	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](O)C2)c(=O)n(C)c1=O	ZINC000236087639	372904030	/nfs/dbraw/zinc/90/40/30/372904030.db2.gz	YQHXBVIUTSRMIB-BDAKNGLRSA-N	-1	1	317.367	-1.477	20	0		DAADMM
CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)N1CCC(OC)CC1	ZINC000594767465	372994029	/nfs/dbraw/zinc/99/40/29/372994029.db2.gz	KVGGOHSEAZKSDI-SNVBAGLBSA-N	-1	1	310.372	-1.144	20	0		DAADMM
CCOC(=O)[C@H](CO)[N-]S(=O)(=O)N1CCC(OC)CC1	ZINC000594767455	372994120	/nfs/dbraw/zinc/99/41/20/372994120.db2.gz	KVGGOHSEAZKSDI-JTQLQIEISA-N	-1	1	310.372	-1.144	20	0		DAADMM
COC(=O)C1(CS(=O)(=O)[N-][C@]2(C(N)=O)CCOC2)CCC1	ZINC000594494320	372991670	/nfs/dbraw/zinc/99/16/70/372991670.db2.gz	WEFMAVPYLIRXEQ-GFCCVEGCSA-N	-1	1	320.367	-1.107	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@H]2COCCO2)c(=O)n(C)c1=O	ZINC000055283114	373094750	/nfs/dbraw/zinc/09/47/50/373094750.db2.gz	MAMBPEBYZLXKLS-MRVPVSSYSA-N	-1	1	319.339	-2.222	20	0		DAADMM
COCC(=O)NC1CN(C(=O)CNC(=O)c2ncccc2[O-])C1	ZINC000356158009	373117817	/nfs/dbraw/zinc/11/78/17/373117817.db2.gz	NPTYJVSDRFRBRS-UHFFFAOYSA-N	-1	1	322.321	-1.510	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])NCCN1C(=O)CCC1=O	ZINC000337895558	373109594	/nfs/dbraw/zinc/10/95/94/373109594.db2.gz	CYAMXRXDAJGUQY-UHFFFAOYSA-N	-1	1	320.305	-1.218	20	0		DAADMM
CC[C@@H](CCO)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000094960399	373111187	/nfs/dbraw/zinc/11/11/87/373111187.db2.gz	VPFFSOOGAUSKKU-VIFPVBQESA-N	-1	1	319.383	-1.229	20	0		DAADMM
CCC[C@](C)(O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000228560886	373072137	/nfs/dbraw/zinc/07/21/37/373072137.db2.gz	XLGMKXOVWSXOLW-LBPRGKRZSA-N	-1	1	319.383	-1.087	20	0		DAADMM
CCC[C@@](C)(O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000228560882	373072703	/nfs/dbraw/zinc/07/27/03/373072703.db2.gz	XLGMKXOVWSXOLW-GFCCVEGCSA-N	-1	1	319.383	-1.087	20	0		DAADMM
CC(C)[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(N)=O	ZINC000264562115	373160403	/nfs/dbraw/zinc/16/04/03/373160403.db2.gz	VBYXZZPFRZAMAU-MRVPVSSYSA-N	-1	1	318.355	-2.128	20	0		DAADMM
CCC[C@@H](NC(=O)CN1CCN(CC)C(=O)C1=O)c1nn[n-]n1	ZINC000268142544	373165850	/nfs/dbraw/zinc/16/58/50/373165850.db2.gz	DOVZRAMYOSHEGV-SECBINFHSA-N	-1	1	323.357	-1.152	20	0		DAADMM
CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000269756038	373170476	/nfs/dbraw/zinc/17/04/76/373170476.db2.gz	IQKNLXUPZFHFDG-DTWKUNHWSA-N	-1	1	319.383	-1.231	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]CCCNS(C)(=O)=O	ZINC000289645558	373213530	/nfs/dbraw/zinc/21/35/30/373213530.db2.gz	ZSYMYCRVUSFLBW-UHFFFAOYSA-N	-1	1	312.373	-1.217	20	0		DAADMM
CO[C@H]1COC[C@@H]1NC(=O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2	ZINC000290385183	373216336	/nfs/dbraw/zinc/21/63/36/373216336.db2.gz	RFNJOGLFZGWYOX-DBRUKBKUSA-N	-1	1	319.321	-1.190	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]CCN1C(=O)CNC1=O	ZINC000290818756	373218720	/nfs/dbraw/zinc/21/87/20/373218720.db2.gz	SUWCXMUWGHSWJQ-UHFFFAOYSA-N	-1	1	303.300	-1.605	20	0		DAADMM
COCC(=O)N(C)CC(=O)Nc1nc(SCCO)n[nH]1	ZINC000270882306	373173001	/nfs/dbraw/zinc/17/30/01/373173001.db2.gz	OWTVTKRFPVMEMX-UHFFFAOYSA-N	-1	1	303.344	-1.068	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@]2(C)CCCOC2)c(=O)n(C)c1=O	ZINC000329149027	373275138	/nfs/dbraw/zinc/27/51/38/373275138.db2.gz	QDOHDZHXBXWSNF-LBPRGKRZSA-N	-1	1	317.367	-1.069	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2CCOC2(C)C)c(=O)n(C)c1=O	ZINC000295344758	373232568	/nfs/dbraw/zinc/23/25/68/373232568.db2.gz	QYGWQAKNYWGVEJ-SECBINFHSA-N	-1	1	317.367	-1.070	20	0		DAADMM
O=C(CN1CCCS1(=O)=O)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000536077256	373269075	/nfs/dbraw/zinc/26/90/75/373269075.db2.gz	GYEXNLIHAQHWEW-SECBINFHSA-N	-1	1	314.371	-1.059	20	0		DAADMM
O=C(Cn1nc2ccccn2c1=O)NCCCc1nc(=O)[n-][nH]1	ZINC000174583087	373297892	/nfs/dbraw/zinc/29/78/92/373297892.db2.gz	XWHRUOMAILCXDO-UHFFFAOYSA-N	-1	1	317.309	-1.344	20	0		DAADMM
CCOC[C@H](O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000315407768	373368146	/nfs/dbraw/zinc/36/81/46/373368146.db2.gz	UJQMTWIVVGPONZ-MRVPVSSYSA-N	-1	1	321.355	-2.240	20	0		DAADMM
CN1CCN(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)CC1=O	ZINC000580512792	373448795	/nfs/dbraw/zinc/44/87/95/373448795.db2.gz	KWKNMWINBKSUDT-SNVBAGLBSA-N	-1	1	307.358	-1.320	20	0		DAADMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](CO)COC	ZINC000233726289	373453061	/nfs/dbraw/zinc/45/30/61/373453061.db2.gz	RCJGNSURCGXTQQ-SSDOTTSWSA-N	-1	1	307.328	-1.128	20	0		DAADMM
COC[C@H](CCO)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000230194132	373453718	/nfs/dbraw/zinc/45/37/18/373453718.db2.gz	KDVUELHQGBFDKF-QMMMGPOBSA-N	-1	1	321.355	-2.240	20	0		DAADMM
C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000269806898	373536686	/nfs/dbraw/zinc/53/66/86/373536686.db2.gz	UAFBOMKUKIQOEW-RKDXNWHRSA-N	-1	1	319.383	-1.231	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(CO)CO)co1	ZINC000580730793	373597527	/nfs/dbraw/zinc/59/75/27/373597527.db2.gz	MFIZJIAUXLFEBG-UHFFFAOYSA-N	-1	1	306.340	-1.092	20	0		DAADMM
CS(=O)(=O)c1nccc(C(=O)NC2(c3nn[n-]n3)CC2)n1	ZINC000581201819	373600479	/nfs/dbraw/zinc/60/04/79/373600479.db2.gz	YORJREKPZSGHFF-UHFFFAOYSA-N	-1	1	309.311	-1.188	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCC(C)(C)CO)c(=O)n(C)c1=O	ZINC000386247447	373606171	/nfs/dbraw/zinc/60/61/71/373606171.db2.gz	IRZLSFLVRLESMO-UHFFFAOYSA-N	-1	1	319.383	-1.229	20	0		DAADMM
CC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H](C)O	ZINC000386794089	373608571	/nfs/dbraw/zinc/60/85/71/373608571.db2.gz	AORIWCXJCONLFV-YUMQZZPRSA-N	-1	1	305.356	-1.478	20	0		DAADMM
CC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H](C)O	ZINC000386794086	373608659	/nfs/dbraw/zinc/60/86/59/373608659.db2.gz	AORIWCXJCONLFV-HTQZYQBOSA-N	-1	1	305.356	-1.478	20	0		DAADMM
CN1C(=O)C[C@@H]([N-]S(=O)(=O)C[C@H]2CN(C)CCO2)C1=O	ZINC000632313705	373715585	/nfs/dbraw/zinc/71/55/85/373715585.db2.gz	NCONRQZZDHXZRY-RKDXNWHRSA-N	-1	1	305.356	-2.006	20	0		DAADMM
COCC(COC)N1CCN(C(=O)CCc2nn[n-]n2)CC1	ZINC000633412106	373733405	/nfs/dbraw/zinc/73/34/05/373733405.db2.gz	BYTWYHZIKAFYAR-UHFFFAOYSA-N	-1	1	312.374	-1.062	20	0		DAADMM
COCCOCCN1CCN(C(=O)CCc2nn[n-]n2)CC1	ZINC000633583418	373733524	/nfs/dbraw/zinc/73/35/24/373733524.db2.gz	YKZNTNPUBWNYFE-UHFFFAOYSA-N	-1	1	312.374	-1.061	20	0		DAADMM
COC(=O)[C@H]([N-]S(=O)(=O)N1CCOC(C)(C)C1)[C@@H](C)O	ZINC000444196566	545782277	/nfs/dbraw/zinc/78/22/77/545782277.db2.gz	WGDBIJILUQYPTC-RKDXNWHRSA-N	-1	1	310.372	-1.146	20	0		DAADMM
CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000040795006	183135316	/nfs/dbraw/zinc/13/53/16/183135316.db2.gz	JFBXKZNEUAYVHP-VIFPVBQESA-N	-1	1	319.383	-1.231	20	0		DAADMM
CN(C)C(=O)CC(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001192724056	781980019	/nfs/dbraw/zinc/98/00/19/781980019.db2.gz	QZVYCKPVSKGZLC-JTQLQIEISA-N	-1	1	324.385	-1.381	20	0		DAADMM
COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1	ZINC000288787030	131339443	/nfs/dbraw/zinc/33/94/43/131339443.db2.gz	CBUUCKKDHZNJEB-SECBINFHSA-N	-1	1	311.342	-1.043	20	0		DAADMM
CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1	ZINC000657106791	545821642	/nfs/dbraw/zinc/82/16/42/545821642.db2.gz	RQKKLLVSBJOEIL-KYZUINATSA-N	-1	1	317.367	-1.070	20	0		DAADMM
O=C(NC1(c2nn[n-]n2)CCCC1)[C@@H]1CCS(=O)(=O)N1	ZINC000651353714	409364199	/nfs/dbraw/zinc/36/41/99/409364199.db2.gz	UJZBCUKAIXIUFR-ZETCQYMHSA-N	-1	1	300.344	-1.223	20	0		DAADMM
O=C(NCCO)c1ccc(=NCC[C@]2(O)CCCOC2)[n-]n1	ZINC000651468867	409368685	/nfs/dbraw/zinc/36/86/85/409368685.db2.gz	WMDXOQAIPJAWBT-CQSZACIVSA-N	-1	1	310.354	-1.036	20	0		DAADMM
O=S(=O)(NCCNS(=O)(=O)c1ncc[nH]1)c1ncc[n-]1	ZINC000647892062	409401120	/nfs/dbraw/zinc/40/11/20/409401120.db2.gz	UTYOGEYVDGWICP-UHFFFAOYSA-N	-1	1	320.356	-1.610	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2C[C@@H](O)C2(C)C)c(=O)n(C)c1=O	ZINC000130259975	409333503	/nfs/dbraw/zinc/33/35/03/409333503.db2.gz	NGODDLNMJUVFNQ-DTWKUNHWSA-N	-1	1	317.367	-1.478	20	0		DAADMM
C[C@@H](C[S@@](C)=O)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000330843441	409424975	/nfs/dbraw/zinc/42/49/75/409424975.db2.gz	NDPFJJZAPDWSGI-ZDVLTJLQSA-N	-1	1	323.396	-1.871	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])NCC(=O)N1CCOCC1	ZINC000345588440	409436206	/nfs/dbraw/zinc/43/62/06/409436206.db2.gz	MXQVNSZYCGZGDX-UHFFFAOYSA-N	-1	1	322.321	-1.508	20	0		DAADMM
NS(=O)(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CC2)nc1	ZINC000345187548	409436859	/nfs/dbraw/zinc/43/68/59/409436859.db2.gz	KSYGVPZSIWMKGP-UHFFFAOYSA-N	-1	1	309.311	-1.339	20	0		DAADMM
CN(C)C(=O)NCCNC(=O)CNC(=O)c1ncccc1[O-]	ZINC000347569641	409446049	/nfs/dbraw/zinc/44/60/49/409446049.db2.gz	YZCURPRRTVZNHS-UHFFFAOYSA-N	-1	1	309.326	-1.096	20	0		DAADMM
CCN1CCO[C@@H](C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1	ZINC000352797895	409472232	/nfs/dbraw/zinc/47/22/32/409472232.db2.gz	STESDYHWARLSPS-SSDOTTSWSA-N	-1	1	303.344	-1.133	20	0		DAADMM
CCN1CCO[C@@H](C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1	ZINC000352797895	409472236	/nfs/dbraw/zinc/47/22/36/409472236.db2.gz	STESDYHWARLSPS-SSDOTTSWSA-N	-1	1	303.344	-1.133	20	0		DAADMM
CCC(CC)(NC(=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1)C(N)=O	ZINC000353228664	409475572	/nfs/dbraw/zinc/47/55/72/409475572.db2.gz	JGNCGLYRGMIPJY-UHFFFAOYSA-N	-1	1	324.385	-1.300	20	0		DAADMM
CNS(=O)(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cn1	ZINC000357054631	409489377	/nfs/dbraw/zinc/48/93/77/409489377.db2.gz	UNTDKRATOGMVBB-UHFFFAOYSA-N	-1	1	323.338	-1.078	20	0		DAADMM
CC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(N)=O	ZINC000360291644	409504948	/nfs/dbraw/zinc/50/49/48/409504948.db2.gz	WKNKBVZXJSLUDR-ZCFIWIBFSA-N	-1	1	304.328	-2.374	20	0		DAADMM
CNC(=O)[C@@H](CO)[N-]S(=O)(=O)CC1(C(=O)OC)CCC1	ZINC000360203961	409505875	/nfs/dbraw/zinc/50/58/75/409505875.db2.gz	JFMFPAVXAXMZJS-MRVPVSSYSA-N	-1	1	308.356	-1.644	20	0		DAADMM
COC(C)(C)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000360878925	409508374	/nfs/dbraw/zinc/50/83/74/409508374.db2.gz	XUCNRVLOBAGBQL-UHFFFAOYSA-N	-1	1	305.356	-1.213	20	0		DAADMM
COC(=O)CCN(C)S(=O)(=O)[N-][C@]1(C(=O)OC)CCOC1	ZINC000447162381	409591967	/nfs/dbraw/zinc/59/19/67/409591967.db2.gz	HXHZTXBVPIUMJF-LLVKDONJSA-N	-1	1	324.355	-1.352	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCOCCF)c(=O)n(C)c1=O	ZINC000660176542	409702645	/nfs/dbraw/zinc/70/26/45/409702645.db2.gz	OTMGPVCPDPIRJQ-UHFFFAOYSA-N	-1	1	309.319	-1.652	20	0		DAADMM
COC[C@@](C)(O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000382565956	409666720	/nfs/dbraw/zinc/66/67/20/409666720.db2.gz	ODRDJFYXRNDWAU-NSHDSACASA-N	-1	1	321.355	-2.240	20	0		DAADMM
CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)[C@H]1CCO[C@H]1C	ZINC000657101597	409676841	/nfs/dbraw/zinc/67/68/41/409676841.db2.gz	UCJMJTUGVIDMIE-QEYWKRMJSA-N	-1	1	313.397	-1.105	20	0		DAADMM
CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000657100033	409676970	/nfs/dbraw/zinc/67/69/70/409676970.db2.gz	NKBHXSAZVAHUJG-OPRDCNLKSA-N	-1	1	313.397	-1.103	20	0		DAADMM
CO[C@H](CS(=O)(=O)[N-][C@@H]1CC(=O)N(C)C1=O)[C@H]1CCOC1	ZINC000656983747	409677670	/nfs/dbraw/zinc/67/76/70/409677670.db2.gz	UDNLFFLRCHVPHV-IVZWLZJFSA-N	-1	1	320.367	-1.285	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2COC(C)(C)C2)c(=O)n(C)c1=O	ZINC000657041052	409678244	/nfs/dbraw/zinc/67/82/44/409678244.db2.gz	IRNDQCVYVHEANH-QMMMGPOBSA-N	-1	1	317.367	-1.070	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2COC(C)(C)C2)c(=O)n(C)c1=O	ZINC000657041050	409678815	/nfs/dbraw/zinc/67/88/15/409678815.db2.gz	IRNDQCVYVHEANH-MRVPVSSYSA-N	-1	1	317.367	-1.070	20	0		DAADMM
COC(=O)CNC(=O)C[N-]S(=O)(=O)c1c(N)noc1C	ZINC000573884461	409808072	/nfs/dbraw/zinc/80/80/72/409808072.db2.gz	JZCLBWOMNXKBBZ-UHFFFAOYSA-N	-1	1	306.300	-1.867	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CCOCC1	ZINC000584319112	409811665	/nfs/dbraw/zinc/81/16/65/409811665.db2.gz	NMTHIVPKDSCEMN-SSDOTTSWSA-N	-1	1	318.355	-0.909	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]C1CC(NS(C)(=O)=O)C1	ZINC000685510679	545893700	/nfs/dbraw/zinc/89/37/00/545893700.db2.gz	RLURRFNXNCRUSR-UHFFFAOYSA-N	-1	1	324.384	-1.076	20	0		DAADMM
O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@@H]1CN(CCO)C[C@H]1O	ZINC001194391920	782037452	/nfs/dbraw/zinc/03/74/52/782037452.db2.gz	YUPMCDQUSULEQO-RKDXNWHRSA-N	-1	1	313.314	-2.631	20	0		DAADMM
COC[C@@H](C)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000049176567	262483004	/nfs/dbraw/zinc/48/30/04/262483004.db2.gz	PJJSBBVKCDBANJ-QMMMGPOBSA-N	-1	1	305.356	-1.355	20	0		DAADMM
NC(=O)N1CC[C@H](NC(=O)CNC(=O)c2ncccc2[O-])C1	ZINC000352549485	263224220	/nfs/dbraw/zinc/22/42/20/263224220.db2.gz	BTDXNYNEGJRAGY-QMMMGPOBSA-N	-1	1	307.310	-1.214	20	0		DAADMM
NS(=O)(=O)CCNC(=O)CNC(=O)c1ncccc1[O-]	ZINC000343129469	263227410	/nfs/dbraw/zinc/22/74/10/263227410.db2.gz	ZYGVSXBJLFXWSL-UHFFFAOYSA-N	-1	1	302.312	-2.078	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2CCC[NH2+]C2)c(=O)n(C)c1=O	ZINC000070140080	263230231	/nfs/dbraw/zinc/23/02/31/263230231.db2.gz	WNEWMXVAPQDQEY-MRVPVSSYSA-N	-1	1	302.356	-1.886	20	0		DAADMM
CN(C)S(=O)(=O)CC(N=c1nn[n-]n1C)C(F)(F)F	ZINC000517602023	263233093	/nfs/dbraw/zinc/23/30/93/263233093.db2.gz	CFKKYBUJVMLSFO-YFKPBYRVSA-N	-1	1	302.282	-1.134	20	0		DAADMM
COC(=O)[C@](C)(O)CNC(=O)CNC(=O)c1ncccc1[O-]	ZINC000362423449	263238495	/nfs/dbraw/zinc/23/84/95/263238495.db2.gz	PAQNVEYCVOAVFX-CYBMUJFWSA-N	-1	1	311.294	-1.443	20	0		DAADMM
Cn1c(C(=O)Nc2nn[n-]n2)cc2c1n(C)c(=O)n(C)c2=O	ZINC000524577975	263240553	/nfs/dbraw/zinc/24/05/53/263240553.db2.gz	BCKBUJBBYCUSGL-UHFFFAOYSA-N	-1	1	304.270	-1.659	20	0		DAADMM
COC(=O)[C@H]([N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)O	ZINC000344538821	263243245	/nfs/dbraw/zinc/24/32/45/263243245.db2.gz	NZAMXZOTHNUHNZ-UTINFBMNSA-N	-1	1	310.372	-1.148	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@H](CO)C2CC2)c(=O)n(C)c1=O	ZINC000352552446	263248160	/nfs/dbraw/zinc/24/81/60/263248160.db2.gz	VLLFUXPURULCBW-SECBINFHSA-N	-1	1	317.367	-1.619	20	0		DAADMM
NC(=O)[C@H]1C[C@@H](F)CN1C(=O)CNC(=O)c1ncccc1[O-]	ZINC000347232663	263249044	/nfs/dbraw/zinc/24/90/44/263249044.db2.gz	SJOSUAFGVUAYMK-HTQZYQBOSA-N	-1	1	310.285	-1.059	20	0		DAADMM
COC(=O)[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])[C@@H](C)O	ZINC000442920562	263257029	/nfs/dbraw/zinc/25/70/29/263257029.db2.gz	HCXJTDQRPBXYKV-XCBNKYQSSA-N	-1	1	311.294	-1.444	20	0		DAADMM
COCC[C@H](NC(=O)CNC(=O)c1ncccc1[O-])C(N)=O	ZINC000343298061	263265894	/nfs/dbraw/zinc/26/58/94/263265894.db2.gz	IAQIKRBKBFYANU-QMMMGPOBSA-N	-1	1	310.310	-1.476	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@H](O)C(F)F)c(=O)n(C)c1=O	ZINC000228620550	263275308	/nfs/dbraw/zinc/27/53/08/263275308.db2.gz	DRGZYIZVXPXZLI-YFKPBYRVSA-N	-1	1	313.282	-2.012	20	0		DAADMM
CO[C@H](C)CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000263843897	263276515	/nfs/dbraw/zinc/27/65/15/263276515.db2.gz	YYMFQIHQEWZGNT-MRVPVSSYSA-N	-1	1	305.356	-1.213	20	0		DAADMM
COC(=O)c1coc(S(=O)(=O)[N-]C[C@H](O)C(=O)OC)c1	ZINC000352070077	263289644	/nfs/dbraw/zinc/28/96/44/263289644.db2.gz	QNXXIWGWOUMCDI-ZETCQYMHSA-N	-1	1	307.280	-1.122	20	0		DAADMM
C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2nn[nH]c2C(N)=O)C1=O	ZINC000362412859	263295098	/nfs/dbraw/zinc/29/50/98/263295098.db2.gz	VIKBYQCQNZJKFB-GFCCVEGCSA-N	-1	1	321.297	-1.437	20	0		DAADMM
C[C@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000343990356	263301516	/nfs/dbraw/zinc/30/15/16/263301516.db2.gz	PVNZVWWRFCLGMC-PELKAZGASA-N	-1	1	317.367	-1.070	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H](CO)C(C)(C)C)c(=O)n(C)c1=O	ZINC000359991223	263305667	/nfs/dbraw/zinc/30/56/67/263305667.db2.gz	GBJDRSQDFUJHHQ-VIFPVBQESA-N	-1	1	319.383	-1.231	20	0		DAADMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1nnn(C)n1	ZINC000362985911	263314403	/nfs/dbraw/zinc/31/44/03/263314403.db2.gz	GZAVUTSXMIITOK-UHFFFAOYSA-N	-1	1	315.315	-1.412	20	0		DAADMM
CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1	ZINC000351967060	263318548	/nfs/dbraw/zinc/31/85/48/263318548.db2.gz	HTHYPFPOROIDHA-KXUCPTDWSA-N	-1	1	310.372	-1.146	20	0		DAADMM
COCC[N@@H+](C)CCNC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1	ZINC000354195720	263318700	/nfs/dbraw/zinc/31/87/00/263318700.db2.gz	WYZZCLNTIVRMNM-JTQLQIEISA-N	-1	1	313.358	-1.490	20	0		DAADMM
NC(=O)c1cc(CNC(=O)CNC(=O)c2ncccc2[O-])on1	ZINC000343819332	263322602	/nfs/dbraw/zinc/32/26/02/263322602.db2.gz	INAYPUUIFQCRSG-UHFFFAOYSA-N	-1	1	319.277	-1.080	20	0		DAADMM
COC[C@@H](O)CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000231599915	263324146	/nfs/dbraw/zinc/32/41/46/263324146.db2.gz	FQZOTMNSWAJYCK-QMMMGPOBSA-N	-1	1	321.355	-2.240	20	0		DAADMM
C[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1nnc[nH]1	ZINC000219303219	263326844	/nfs/dbraw/zinc/32/68/44/263326844.db2.gz	MBBHYNFQGOFZGE-ZCFIWIBFSA-N	-1	1	314.327	-1.758	20	0		DAADMM
C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1nc[nH]n1	ZINC000219303219	263326848	/nfs/dbraw/zinc/32/68/48/263326848.db2.gz	MBBHYNFQGOFZGE-ZCFIWIBFSA-N	-1	1	314.327	-1.758	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001194754208	782044429	/nfs/dbraw/zinc/04/44/29/782044429.db2.gz	FLOHEGGYPKCVFX-JTQLQIEISA-N	-1	1	324.385	-1.333	20	0		DAADMM
Cn1[n-]c(CN2CCCN(C(=O)CNC(N)=O)CC2)nc1=O	ZINC001194811609	782046216	/nfs/dbraw/zinc/04/62/16/782046216.db2.gz	SZDVTKSXZUGQEC-UHFFFAOYSA-N	-1	1	311.346	-2.189	20	0		DAADMM
CCC1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CC1	ZINC001195955781	782088872	/nfs/dbraw/zinc/08/88/72/782088872.db2.gz	YWWLZOBVGPQMTL-NXEZZACHSA-N	-1	1	309.370	-1.040	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC2=CCCOC2)c(=O)n(C)c1=O	ZINC000557860403	331823432	/nfs/dbraw/zinc/82/34/32/331823432.db2.gz	XRJCNHDEOFBQNC-UHFFFAOYSA-N	-1	1	315.351	-1.291	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(C)C2=O)co1	ZINC000559277514	332012810	/nfs/dbraw/zinc/01/28/10/332012810.db2.gz	QYKCYKQBFMZEIL-ZETCQYMHSA-N	-1	1	315.307	-1.325	20	0		DAADMM
C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)O1	ZINC000416539102	334670224	/nfs/dbraw/zinc/67/02/24/334670224.db2.gz	XRVXJDHKGHNTMU-DTWKUNHWSA-N	-1	1	317.367	-1.070	20	0		DAADMM
C[C@@H](CCO)CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000397734402	337283583	/nfs/dbraw/zinc/28/35/83/337283583.db2.gz	GZTNFASPWKHULQ-SECBINFHSA-N	-1	1	319.383	-1.229	20	0		DAADMM
COCCS(=O)(=O)[N-][C@@H](CN1CCOCC1)C(=O)OC	ZINC000572472920	337675341	/nfs/dbraw/zinc/67/53/41/337675341.db2.gz	UYAAZEIVKWRFGB-JTQLQIEISA-N	-1	1	310.372	-1.574	20	0		DAADMM
CN1CC[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1=O	ZINC000545320885	341121334	/nfs/dbraw/zinc/12/13/34/341121334.db2.gz	YPIRSRKEGAPRJY-ZETCQYMHSA-N	-1	1	316.339	-2.407	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2CC[C@H](O)CC2)c(=O)n(C)c1=O	ZINC000252702895	341429290	/nfs/dbraw/zinc/42/92/90/341429290.db2.gz	IYXBORCLRYITDB-KYZUINATSA-N	-1	1	317.367	-1.334	20	0		DAADMM
COC(=O)CCCCS(=O)(=O)[N-][C@H](CC(N)=O)C(=O)OC	ZINC001196977552	782118536	/nfs/dbraw/zinc/11/85/36/782118536.db2.gz	MLMDPAFVIAJGNS-MRVPVSSYSA-N	-1	1	324.355	-1.334	20	0		DAADMM
Cn1[n-]c(CN2CCCN(C(=O)CCCC(N)=O)CC2)nc1=O	ZINC001198385153	782154155	/nfs/dbraw/zinc/15/41/55/782154155.db2.gz	FWVIHCLTUKNLQA-UHFFFAOYSA-N	-1	1	324.385	-1.202	20	0		DAADMM
CC[C@H](COC)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000265636249	522260908	/nfs/dbraw/zinc/26/09/08/522260908.db2.gz	GVCQHXMVUDQLKO-MRVPVSSYSA-N	-1	1	305.356	-1.213	20	0		DAADMM
CN1CCO[C@@H](CNC(=O)CNC(=O)c2ncccc2[O-])C1	ZINC000338262352	523936901	/nfs/dbraw/zinc/93/69/01/523936901.db2.gz	JOGPVVRCMWYRDO-JTQLQIEISA-N	-1	1	308.338	-1.036	20	0		DAADMM
CN1CCO[C@H](CNC(=O)CNC(=O)c2ncccc2[O-])C1	ZINC000338262353	523947398	/nfs/dbraw/zinc/94/73/98/523947398.db2.gz	JOGPVVRCMWYRDO-SNVBAGLBSA-N	-1	1	308.338	-1.036	20	0		DAADMM
C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1CCOC1	ZINC000266141362	525582064	/nfs/dbraw/zinc/58/20/64/525582064.db2.gz	CSOHLAIPJCHJOQ-BDAKNGLRSA-N	-1	1	317.367	-1.213	20	0		DAADMM
CC(C)[C@H](C(=O)NN1CC(=O)[N-]C1=O)N1CCCS1(=O)=O	ZINC000272814542	534906273	/nfs/dbraw/zinc/90/62/73/534906273.db2.gz	BFGAFAQMAFAULP-SECBINFHSA-N	-1	1	318.355	-1.371	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@]2(C)CCOC2)c(=O)n(C)c1=O	ZINC000354477324	527289281	/nfs/dbraw/zinc/28/92/81/527289281.db2.gz	AAQYJMAWSVVYOH-GFCCVEGCSA-N	-1	1	317.367	-1.211	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2CCSC2)c(=O)n(C)c1=O	ZINC000266286953	527290344	/nfs/dbraw/zinc/29/03/44/527290344.db2.gz	LBIXZAUDYOSTFZ-ZETCQYMHSA-N	-1	1	305.381	-1.132	20	0		DAADMM
CCN1CCN(CC(=O)N(C)C[C@H](C)c2nn[n-]n2)C(=O)C1=O	ZINC000274768910	535650348	/nfs/dbraw/zinc/65/03/48/535650348.db2.gz	LMURKHVPONTVCY-VIFPVBQESA-N	-1	1	323.357	-1.548	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H](CO)CC2CC2)c(=O)n(C)c1=O	ZINC000677241511	545657126	/nfs/dbraw/zinc/65/71/26/545657126.db2.gz	ABBSSJUDVYGLMX-SECBINFHSA-N	-1	1	317.367	-1.477	20	0		DAADMM
C[C@@H](CCCCO)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000398424663	545661241	/nfs/dbraw/zinc/66/12/41/545661241.db2.gz	DIQRCHNIEIWLIL-VIFPVBQESA-N	-1	1	319.383	-1.087	20	0		DAADMM
CCC[C@@H](O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000158699865	545664609	/nfs/dbraw/zinc/66/46/09/545664609.db2.gz	BNZRWBAHIMVRNH-MRVPVSSYSA-N	-1	1	305.356	-1.477	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@](C)(O)C2CC2)c(=O)n(C)c1=O	ZINC000313927564	545671007	/nfs/dbraw/zinc/67/10/07/545671007.db2.gz	XMPQXJAROGHLBE-LBPRGKRZSA-N	-1	1	317.367	-1.477	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC(C)(CO)CO)c(=O)n(C)c1=O	ZINC000393901921	545677895	/nfs/dbraw/zinc/67/78/95/545677895.db2.gz	NOMVWSVMGYPGTF-UHFFFAOYSA-N	-1	1	321.355	-2.647	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CCC(=O)NC1=O	ZINC000344251170	545711260	/nfs/dbraw/zinc/71/12/60/545711260.db2.gz	DAVKZBOXMFQGEB-ZETCQYMHSA-N	-1	1	306.278	-1.562	20	0		DAADMM
COC(=O)[C@H]([N-]S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)[C@H](C)O	ZINC000344538818	545713620	/nfs/dbraw/zinc/71/36/20/545713620.db2.gz	NZAMXZOTHNUHNZ-AATLWQCWSA-N	-1	1	310.372	-1.148	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2CCCOCC2)c(=O)n(C)c1=O	ZINC000329273134	545719048	/nfs/dbraw/zinc/71/90/48/545719048.db2.gz	JWOYGCFXQFDSFX-VIFPVBQESA-N	-1	1	317.367	-1.069	20	0		DAADMM
Cn1ncc2c1[n-]cc(C(=O)NCCNS(C)(=O)=O)c2=O	ZINC000358331111	545742040	/nfs/dbraw/zinc/74/20/40/545742040.db2.gz	XQKUBKBSINGCBA-UHFFFAOYSA-N	-1	1	313.339	-1.047	20	0		DAADMM
O=C(NCCO)c1ccc(=NCCNc2cnccn2)[n-]n1	ZINC000488377662	545793762	/nfs/dbraw/zinc/79/37/62/545793762.db2.gz	VTLJWVAXUYJXJE-UHFFFAOYSA-N	-1	1	303.326	-1.644	20	0		DAADMM
CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1c(C)onc1N	ZINC000349538062	545851294	/nfs/dbraw/zinc/85/12/94/545851294.db2.gz	QCVRGNOWHQMIPR-SNVBAGLBSA-N	-1	1	307.328	-0.842	20	0		DAADMM
CC[C@]1([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCOC1	ZINC000682937444	545888620	/nfs/dbraw/zinc/88/86/20/545888620.db2.gz	LLCWTGQTZGMBDS-LBPRGKRZSA-N	-1	1	317.367	-1.069	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H]2CCC[C@@H]2O)n(C)c1=O	ZINC000737595123	599322741	/nfs/dbraw/zinc/32/27/41/599322741.db2.gz	GVDHKYQFGYNIFF-SFYZADRCSA-N	-1	1	321.341	-1.163	20	0		DAADMM
C[C@H](O)CCN(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000820473956	599051862	/nfs/dbraw/zinc/05/18/62/599051862.db2.gz	OOMUAXRFTITYIB-ZETCQYMHSA-N	-1	1	309.330	-1.529	20	0		DAADMM
COCCn1c(=O)cc(O)nc1SCC(=O)NCC(=O)[O-]	ZINC000820738775	597760612	/nfs/dbraw/zinc/76/06/12/597760612.db2.gz	UMHJZNHLNZXMIY-UHFFFAOYSA-N	-1	1	317.323	-1.112	20	0		DAADMM
CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)NCC(=O)[O-])C1	ZINC000820025180	597762332	/nfs/dbraw/zinc/76/23/32/597762332.db2.gz	ZBMFRJFCZPLJMP-VIFPVBQESA-N	-1	1	302.331	-1.205	20	0		DAADMM
CN1CCN(C[C@@H]2CN(CC(=O)NCC(=O)[O-])CCO2)CC1	ZINC000820626129	597777823	/nfs/dbraw/zinc/77/78/23/597777823.db2.gz	HWRZJTQGLHZSTM-GFCCVEGCSA-N	-1	1	314.386	-1.865	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NCC(C)(C)CO)n(C)c1=O	ZINC000822600125	607331923	/nfs/dbraw/zinc/33/19/23/607331923.db2.gz	KSYMLOKSORCAHI-UHFFFAOYSA-N	-1	1	309.330	-1.306	20	0		DAADMM
CCNC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000736575221	598260666	/nfs/dbraw/zinc/26/06/66/598260666.db2.gz	CTIUTEQHTHSPJG-UHFFFAOYSA-N	-1	1	311.327	-1.324	20	0		DAADMM
CCNC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000736575221	598260668	/nfs/dbraw/zinc/26/06/68/598260668.db2.gz	CTIUTEQHTHSPJG-UHFFFAOYSA-N	-1	1	311.327	-1.324	20	0		DAADMM
O=C1NCCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000738316447	598270574	/nfs/dbraw/zinc/27/05/74/598270574.db2.gz	UDELLXQHEZRSHE-SECBINFHSA-N	-1	1	323.338	-1.181	20	0		DAADMM
O=C1NCCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000738316447	598270575	/nfs/dbraw/zinc/27/05/75/598270575.db2.gz	UDELLXQHEZRSHE-SECBINFHSA-N	-1	1	323.338	-1.181	20	0		DAADMM
CN(CC(=O)N1CCOCC1)c1nccnc1-c1nnn[n-]1	ZINC000736783445	598337369	/nfs/dbraw/zinc/33/73/69/598337369.db2.gz	TVBJPYJXTJHUSX-UHFFFAOYSA-N	-1	1	304.314	-1.048	20	0		DAADMM
CN(CC(=O)N1CCOCC1)c1nccnc1-c1nn[n-]n1	ZINC000736783445	598337371	/nfs/dbraw/zinc/33/73/71/598337371.db2.gz	TVBJPYJXTJHUSX-UHFFFAOYSA-N	-1	1	304.314	-1.048	20	0		DAADMM
CS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1	ZINC000737168049	598339469	/nfs/dbraw/zinc/33/94/69/598339469.db2.gz	YFCFYAVHNQTFFS-UHFFFAOYSA-N	-1	1	310.343	-1.262	20	0		DAADMM
CS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1	ZINC000737168049	598339471	/nfs/dbraw/zinc/33/94/71/598339471.db2.gz	YFCFYAVHNQTFFS-UHFFFAOYSA-N	-1	1	310.343	-1.262	20	0		DAADMM
CCNC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)CC1	ZINC000736576665	598340695	/nfs/dbraw/zinc/34/06/95/598340695.db2.gz	YPVAOYHDRPHQNT-UHFFFAOYSA-N	-1	1	317.357	-1.085	20	0		DAADMM
CCNC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)CC1	ZINC000736576665	598340697	/nfs/dbraw/zinc/34/06/97/598340697.db2.gz	YPVAOYHDRPHQNT-UHFFFAOYSA-N	-1	1	317.357	-1.085	20	0		DAADMM
CN1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1=O	ZINC000736847638	598354316	/nfs/dbraw/zinc/35/43/16/598354316.db2.gz	VZUMXIINDPODLS-ZETCQYMHSA-N	-1	1	323.338	-1.229	20	0		DAADMM
CN1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1=O	ZINC000736847638	598354317	/nfs/dbraw/zinc/35/43/17/598354317.db2.gz	VZUMXIINDPODLS-ZETCQYMHSA-N	-1	1	323.338	-1.229	20	0		DAADMM
CNS(=O)(=O)[C@H]1CCCN(CCC(=O)NCC(=O)[O-])C1	ZINC000737554141	600642850	/nfs/dbraw/zinc/64/28/50/600642850.db2.gz	XAPLBMWEPRQAOX-VIFPVBQESA-N	-1	1	307.372	-1.409	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@](C)(O)C2CC2)n(C)c1=O	ZINC000737597242	598756422	/nfs/dbraw/zinc/75/64/22/598756422.db2.gz	RQELELCWDZUPOK-ZDUSSCGKSA-N	-1	1	321.341	-1.163	20	0		DAADMM
CN(c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@H]1CCOC1	ZINC000736841217	598816493	/nfs/dbraw/zinc/81/64/93/598816493.db2.gz	AIBUKXMLZFUGIC-ZETCQYMHSA-N	-1	1	307.314	-1.511	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H]2CCC[C@H]2O)n(C)c1=O	ZINC000737595122	599323318	/nfs/dbraw/zinc/32/33/18/599323318.db2.gz	GVDHKYQFGYNIFF-JGVFFNPUSA-N	-1	1	321.341	-1.163	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H]2CCC[C@H]2O)n(C)c1=O	ZINC000737595121	599323480	/nfs/dbraw/zinc/32/34/80/599323480.db2.gz	GVDHKYQFGYNIFF-HTQZYQBOSA-N	-1	1	321.341	-1.163	20	0		DAADMM
Cc1nc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)no1	ZINC000737477980	599348728	/nfs/dbraw/zinc/34/87/28/599348728.db2.gz	OCKJGUCUIIWTOT-UHFFFAOYSA-N	-1	1	319.285	-1.432	20	0		DAADMM
Cn1c(NCCNC(N)=O)c(-c2nn[n-]n2)c(=O)n(C)c1=O	ZINC000737595570	599350723	/nfs/dbraw/zinc/35/07/23/599350723.db2.gz	IAAIQVLKJDIQAR-UHFFFAOYSA-N	-1	1	309.290	-2.656	20	0		DAADMM
CCS(=O)(=O)NCCN(CCN1CCOCC1)CC(=O)[O-]	ZINC000737222591	600147068	/nfs/dbraw/zinc/14/70/68/600147068.db2.gz	DOVCNZKQDWTUAY-UHFFFAOYSA-N	-1	1	323.415	-1.356	20	0		DAADMM
CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000250359685	600412320	/nfs/dbraw/zinc/41/23/20/600412320.db2.gz	BQNFMKBUXQNDKT-GHMZBOCLSA-N	-1	1	300.359	-1.273	20	0		DAADMM
CN1CCN(C)[C@H](CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1	ZINC000250359685	600412322	/nfs/dbraw/zinc/41/23/22/600412322.db2.gz	BQNFMKBUXQNDKT-GHMZBOCLSA-N	-1	1	300.359	-1.273	20	0		DAADMM
O=C([O-])CCN(CC(=O)N1CCNC(=O)C1)C[C@H]1CCCO1	ZINC000739718139	600516223	/nfs/dbraw/zinc/51/62/23/600516223.db2.gz	KIYQKQWSPHEWBQ-LLVKDONJSA-N	-1	1	313.354	-1.100	20	0		DAADMM
CCN1CCN(CC(=O)N(CC(=O)[O-])CC(=O)OC)CC1	ZINC000737115998	600665845	/nfs/dbraw/zinc/66/58/45/600665845.db2.gz	RMEDINNZETXWDA-UHFFFAOYSA-N	-1	1	301.343	-1.290	20	0		DAADMM
COC(=O)CNC(=O)C(F)(F)C(F)(F)C(=O)NCC(=O)[O-]	ZINC000831176089	600846993	/nfs/dbraw/zinc/84/69/93/600846993.db2.gz	USYWYCRNKPBMKY-UHFFFAOYSA-N	-1	1	318.179	-1.253	20	0		DAADMM
CCN1CCN(CC(=O)N[C@H](CC(=O)[O-])C(=O)OC)CC1	ZINC000829776640	600877452	/nfs/dbraw/zinc/87/74/52/600877452.db2.gz	RTZYYZUUKRZATI-SNVBAGLBSA-N	-1	1	301.343	-1.244	20	0		DAADMM
C[C@H](CNC(=O)Cn1cc(C(=O)[O-])nn1)N1CCN(C)CC1	ZINC000827469705	601200230	/nfs/dbraw/zinc/20/02/30/601200230.db2.gz	HTIYGWUUTKYXQI-SNVBAGLBSA-N	-1	1	310.358	-1.272	20	0		DAADMM
C[C@H](C(=O)NCC(=O)[O-])N(C)C[C@H](O)CN1CCOCC1	ZINC000825999644	601326688	/nfs/dbraw/zinc/32/66/88/601326688.db2.gz	GHOUIKNYBSHBTO-MNOVXSKESA-N	-1	1	303.359	-1.799	20	0		DAADMM
C[C@@H](C(=O)NCC(=O)[O-])N(C)C[C@H](O)CN1CCOCC1	ZINC000825999645	601326929	/nfs/dbraw/zinc/32/69/29/601326929.db2.gz	GHOUIKNYBSHBTO-QWRGUYRKSA-N	-1	1	303.359	-1.799	20	0		DAADMM
C[C@H](CN1CCN(C)CC1)NC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000738912271	603095265	/nfs/dbraw/zinc/09/52/65/603095265.db2.gz	OXHXWMXACDEOCJ-IJLUTSLNSA-N	-1	1	314.386	-1.148	20	0		DAADMM
CN1CCN(CCNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1	ZINC000739736218	603132022	/nfs/dbraw/zinc/13/20/22/603132022.db2.gz	CPDRKNZDPDMJPH-QWRGUYRKSA-N	-1	1	300.359	-1.537	20	0		DAADMM
COC[C@@H](O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000826151795	607630894	/nfs/dbraw/zinc/63/08/94/607630894.db2.gz	JTUJKJPNUQTSIN-ZETCQYMHSA-N	-1	1	314.327	-1.453	20	0		DAADMM
COC[C@@H](O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000826151795	607630895	/nfs/dbraw/zinc/63/08/95/607630895.db2.gz	JTUJKJPNUQTSIN-ZETCQYMHSA-N	-1	1	314.327	-1.453	20	0		DAADMM
O=C([O-])N1CCN(CC(=O)N2CCc3[nH]nnc3C2)C(=O)C1	ZINC000832031501	603738029	/nfs/dbraw/zinc/73/80/29/603738029.db2.gz	OVMCCPVWCXLORW-UHFFFAOYSA-N	-1	1	308.298	-1.488	20	0		DAADMM
O=C([O-])N1CCO[C@H](C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)C1	ZINC000832050996	604853450	/nfs/dbraw/zinc/85/34/50/604853450.db2.gz	SITZJJHMZLZIAC-SFYZADRCSA-N	-1	1	312.286	-1.522	20	0		DAADMM
O=C([O-])N1CCO[C@@H](C(=O)N2CCO[C@H](c3nn[nH]n3)C2)C1	ZINC000832050993	604853460	/nfs/dbraw/zinc/85/34/60/604853460.db2.gz	SITZJJHMZLZIAC-JGVFFNPUSA-N	-1	1	312.286	-1.522	20	0		DAADMM
O=C([O-])NCC(=O)NCC(=O)N1CCC[C@@H](c2nn[nH]n2)C1	ZINC000834194094	605399438	/nfs/dbraw/zinc/39/94/38/605399438.db2.gz	KINGLLHGOHMCNA-SSDOTTSWSA-N	-1	1	311.302	-1.711	20	0		DAADMM
COCCNC(=O)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1	ZINC000821691139	606171339	/nfs/dbraw/zinc/17/13/39/606171339.db2.gz	KLOPZDWSDXXGGH-UHFFFAOYSA-N	-1	1	323.317	-1.516	20	0		DAADMM
COCCNC(=O)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1	ZINC000821691139	606171340	/nfs/dbraw/zinc/17/13/40/606171340.db2.gz	KLOPZDWSDXXGGH-UHFFFAOYSA-N	-1	1	323.317	-1.516	20	0		DAADMM
C[C@@H]1C(=O)NCCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000820641926	606474802	/nfs/dbraw/zinc/47/48/02/606474802.db2.gz	FSFNOQWYTFGDMA-ZCFIWIBFSA-N	-1	1	320.313	-2.411	20	0		DAADMM
C[C@H](CN1CCOCC1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000820261342	607208077	/nfs/dbraw/zinc/20/80/77/607208077.db2.gz	NCWGRJMZLJKAPY-SECBINFHSA-N	-1	1	321.345	-1.705	20	0		DAADMM
C[C@@H](CN1CCOCC1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000820261343	607208131	/nfs/dbraw/zinc/20/81/31/607208131.db2.gz	NCWGRJMZLJKAPY-VIFPVBQESA-N	-1	1	321.345	-1.705	20	0		DAADMM
CC(C)[C@H]1C(=O)NCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000820038364	607213197	/nfs/dbraw/zinc/21/31/97/607213197.db2.gz	MSPRYVUDYYJHML-VIFPVBQESA-N	-1	1	319.329	-1.559	20	0		DAADMM
COC(=O)C(C)(C)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821638709	607213487	/nfs/dbraw/zinc/21/34/87/607213487.db2.gz	GHBCTEXLGUSPMQ-UHFFFAOYSA-N	-1	1	308.302	-1.132	20	0		DAADMM
C[C@H]1COCCN1CCNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000820813402	607214163	/nfs/dbraw/zinc/21/41/63/607214163.db2.gz	GGUQOXIWVTZBCM-VIFPVBQESA-N	-1	1	321.345	-1.705	20	0		DAADMM
CC(C)(C)OC(=O)CNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000819927937	607217183	/nfs/dbraw/zinc/21/71/83/607217183.db2.gz	BXUDAYCUZNUTKD-UHFFFAOYSA-N	-1	1	308.302	-1.084	20	0		DAADMM
COC(=O)[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC1	ZINC000821640606	607220959	/nfs/dbraw/zinc/22/09/59/607220959.db2.gz	LMMWCHAUAJXZMZ-MRVPVSSYSA-N	-1	1	306.286	-1.474	20	0		DAADMM
COC(=O)C(C)(C)CNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821637318	607222709	/nfs/dbraw/zinc/22/27/09/607222709.db2.gz	ASYXGKACXUXGHR-UHFFFAOYSA-N	-1	1	308.302	-1.226	20	0		DAADMM
CN1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C(C)(C)C1=O	ZINC000821627323	607222953	/nfs/dbraw/zinc/22/29/53/607222953.db2.gz	XDCLAAGGGYTYQK-UHFFFAOYSA-N	-1	1	319.329	-1.463	20	0		DAADMM
COC(=O)[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@@H]1C	ZINC000821655632	607223318	/nfs/dbraw/zinc/22/33/18/607223318.db2.gz	ONXUTRQSDKYXTK-JGVFFNPUSA-N	-1	1	320.313	-1.274	20	0		DAADMM
CN(C)c1ncc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cn1	ZINC000825884353	607775031	/nfs/dbraw/zinc/77/50/31/607775031.db2.gz	ZTYCUCXRMXCUHX-UHFFFAOYSA-N	-1	1	315.301	-1.047	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@]2(C)CCOC2)n(C)c1=O	ZINC000826356005	607905717	/nfs/dbraw/zinc/90/57/17/607905717.db2.gz	WUFHJCJEQYAOEI-LBPRGKRZSA-N	-1	1	307.314	-1.145	20	0		DAADMM
CC[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@H]1O	ZINC000825213477	608018196	/nfs/dbraw/zinc/01/81/96/608018196.db2.gz	YYMYGCDSMJKGSP-HTQZYQBOSA-N	-1	1	321.341	-1.529	20	0		DAADMM
CN(CC1CC1)C(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O	ZINC000825901698	608095718	/nfs/dbraw/zinc/09/57/18/608095718.db2.gz	JRMSUUGDSQXXLT-UHFFFAOYSA-N	-1	1	319.325	-1.405	20	0		DAADMM
CCn1c(C)nnc1Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O	ZINC000825782919	608096047	/nfs/dbraw/zinc/09/60/47/608096047.db2.gz	VGVPKHVYDTUOFR-UHFFFAOYSA-N	-1	1	317.313	-1.305	20	0		DAADMM
COC(=O)/C(C)=C\Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O	ZINC000826098821	608096224	/nfs/dbraw/zinc/09/62/24/608096224.db2.gz	QCUDNDKMNZGJPZ-DAXSKMNVSA-N	-1	1	306.282	-1.154	20	0		DAADMM
C[C@@H](O)C(C)(C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000824678043	608098550	/nfs/dbraw/zinc/09/85/50/608098550.db2.gz	KDMJEYFVCPQFJN-ZCFIWIBFSA-N	-1	1	309.330	-1.165	20	0		DAADMM
Cn1cc(S(=O)(=O)NCCn2ccnc2-c2nnn[n-]2)cn1	ZINC000826362380	608148724	/nfs/dbraw/zinc/14/87/24/608148724.db2.gz	PSPVVCNFGKZMSU-UHFFFAOYSA-N	-1	1	323.342	-1.225	20	0		DAADMM
Cn1cc(S(=O)(=O)NCCn2ccnc2-c2nn[n-]n2)cn1	ZINC000826362380	608148726	/nfs/dbraw/zinc/14/87/26/608148726.db2.gz	PSPVVCNFGKZMSU-UHFFFAOYSA-N	-1	1	323.342	-1.225	20	0		DAADMM
Cn1ccc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)n1	ZINC000826363278	608232783	/nfs/dbraw/zinc/23/27/83/608232783.db2.gz	FXBZFMGEVXZJQM-UHFFFAOYSA-N	-1	1	317.313	-1.390	20	0		DAADMM
C[C@H](O)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1	ZINC000824680056	608233515	/nfs/dbraw/zinc/23/35/15/608233515.db2.gz	YPRXDENOMDYNTB-QMMMGPOBSA-N	-1	1	304.314	-1.314	20	0		DAADMM
C[C@H](O)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1	ZINC000824680056	608233517	/nfs/dbraw/zinc/23/35/17/608233517.db2.gz	YPRXDENOMDYNTB-QMMMGPOBSA-N	-1	1	304.314	-1.314	20	0		DAADMM
CCOCCN(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000825595059	608241260	/nfs/dbraw/zinc/24/12/60/608241260.db2.gz	VXGZDFCGMVREHN-UHFFFAOYSA-N	-1	1	309.330	-1.263	20	0		DAADMM
C[C@@H](C(N)=O)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000824059141	608244232	/nfs/dbraw/zinc/24/42/32/608244232.db2.gz	NORFQFPNJRZSSS-YFKPBYRVSA-N	-1	1	308.302	-2.426	20	0		DAADMM
Cn1nnnc1CCNC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000826367294	608248013	/nfs/dbraw/zinc/24/80/13/608248013.db2.gz	SYTHGZKGWJHJJX-UHFFFAOYSA-N	-1	1	300.286	-1.242	20	0		DAADMM
Cn1nnnc1CCNC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000826367294	608248015	/nfs/dbraw/zinc/24/80/15/608248015.db2.gz	SYTHGZKGWJHJJX-UHFFFAOYSA-N	-1	1	300.286	-1.242	20	0		DAADMM
CN(CC(=O)N1CCOCC1)c1ccc(-c2nnn[n-]2)nn1	ZINC000825892343	608390070	/nfs/dbraw/zinc/39/00/70/608390070.db2.gz	KTRVUDFSLPYIHY-UHFFFAOYSA-N	-1	1	304.314	-1.048	20	0		DAADMM
CN(CC(=O)N1CCOCC1)c1ccc(-c2nn[n-]n2)nn1	ZINC000825892343	608390072	/nfs/dbraw/zinc/39/00/72/608390072.db2.gz	KTRVUDFSLPYIHY-UHFFFAOYSA-N	-1	1	304.314	-1.048	20	0		DAADMM
O[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)CN1CCOCC1	ZINC000826502469	608392458	/nfs/dbraw/zinc/39/24/58/608392458.db2.gz	DKVSJHIRAJRSJF-VIFPVBQESA-N	-1	1	306.330	-1.238	20	0		DAADMM
Cn1cnc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n1	ZINC000826364705	608562570	/nfs/dbraw/zinc/56/25/70/608562570.db2.gz	HHENDDXUULHQRC-UHFFFAOYSA-N	-1	1	321.326	-1.131	20	0		DAADMM
Cn1cnc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)n1	ZINC000826364705	608562571	/nfs/dbraw/zinc/56/25/71/608562571.db2.gz	HHENDDXUULHQRC-UHFFFAOYSA-N	-1	1	321.326	-1.131	20	0		DAADMM
CCCCCN(CC(N)=O)C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000825271951	609263813	/nfs/dbraw/zinc/26/38/13/609263813.db2.gz	RZHRKRIUFBZPGA-UHFFFAOYSA-N	-1	1	321.345	-1.038	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(=O)n(CN2CCCCC2=O)c1=O	ZINC000826357232	609304957	/nfs/dbraw/zinc/30/49/57/609304957.db2.gz	XAFYLJXGXDHOIE-UHFFFAOYSA-N	-1	1	305.298	-1.303	20	0		DAADMM
CCOC(=O)[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000049499756	662305577	/nfs/dbraw/zinc/30/55/77/662305577.db2.gz	GHGGXCMGMQKKKB-SSDOTTSWSA-N	-1	1	319.339	-1.686	20	0		DAADMM
CCN1CCOC[C@@H]1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000969147181	662306148	/nfs/dbraw/zinc/30/61/48/662306148.db2.gz	RQIQQUNUGYTOLO-GHMZBOCLSA-N	-1	1	324.385	-1.079	20	0		DAADMM
Cn1cc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)ncc1=O	ZINC000969400121	662314246	/nfs/dbraw/zinc/31/42/46/662314246.db2.gz	BSWXPEJAXPHVCE-MRVPVSSYSA-N	-1	1	319.325	-1.392	20	0		DAADMM
CN1C[C@H](C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)NC1=O	ZINC000969586415	662323040	/nfs/dbraw/zinc/32/30/40/662323040.db2.gz	KHLWUHIGPXVERO-HTQZYQBOSA-N	-1	1	309.330	-1.776	20	0		DAADMM
O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000970118988	662343710	/nfs/dbraw/zinc/34/37/10/662343710.db2.gz	KPSDYONCQBMZRX-RQJHMYQMSA-N	-1	1	323.313	-2.201	20	0		DAADMM
O=C(C[C@H]1CCC(=O)N1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000970247526	662355014	/nfs/dbraw/zinc/35/50/14/662355014.db2.gz	WHMKFJOTNJITNI-RKDXNWHRSA-N	-1	1	308.342	-1.131	20	0		DAADMM
O=C(C1CC(=O)NC(=O)C1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000970254763	662355023	/nfs/dbraw/zinc/35/50/23/662355023.db2.gz	JZTNNWHKIBLONV-MRVPVSSYSA-N	-1	1	322.325	-1.746	20	0		DAADMM
Cn1ncc(C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)c1N	ZINC001038185421	662355603	/nfs/dbraw/zinc/35/56/03/662355603.db2.gz	FNUYYIOEKDNNTL-QMMMGPOBSA-N	-1	1	320.357	-1.572	20	0		DAADMM
O=C(CN1CC(=O)NC1=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000970283118	662357127	/nfs/dbraw/zinc/35/71/27/662357127.db2.gz	LSAVPWUGHUFLQN-SSDOTTSWSA-N	-1	1	323.313	-2.247	20	0		DAADMM
C[C@H](NC(=O)c1nnn(C)n1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000970290218	662357351	/nfs/dbraw/zinc/35/73/51/662357351.db2.gz	WDSYYVOTMRLODU-ZETCQYMHSA-N	-1	1	321.345	-2.118	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)CN3CCOCC3)C2)nc1=O	ZINC001010667650	662362557	/nfs/dbraw/zinc/36/25/57/662362557.db2.gz	JCXBPZZWJWOERD-NSHDSACASA-N	-1	1	324.385	-1.869	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)CN3CCOCC3)C2)nc1=O	ZINC001010667645	662362854	/nfs/dbraw/zinc/36/28/54/662362854.db2.gz	JCXBPZZWJWOERD-LLVKDONJSA-N	-1	1	324.385	-1.869	20	0		DAADMM
Cc1nc(CN[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)n[nH]1	ZINC000970581345	662365414	/nfs/dbraw/zinc/36/54/14/662365414.db2.gz	JTAJPWHMGMMZRK-MRVPVSSYSA-N	-1	1	322.329	-1.493	20	0		DAADMM
O=C(CN1C(=O)CNC1=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000970662000	662367185	/nfs/dbraw/zinc/36/71/85/662367185.db2.gz	QIADTMSTLZFLCB-SSDOTTSWSA-N	-1	1	323.313	-2.247	20	0		DAADMM
O=C(C[C@@H]1CC(=O)NC1=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000970894452	662374278	/nfs/dbraw/zinc/37/42/78/662374278.db2.gz	SPMBPKVSXIHEDK-JGVFFNPUSA-N	-1	1	322.325	-1.746	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1	ZINC000971453008	662383534	/nfs/dbraw/zinc/38/35/34/662383534.db2.gz	XBMAZBINRARHQA-RKDXNWHRSA-N	-1	1	324.341	-1.751	20	0		DAADMM
CC(=O)NCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000015328701	662384657	/nfs/dbraw/zinc/38/46/57/662384657.db2.gz	XAHVQLAEKWQRME-UHFFFAOYSA-N	-1	1	304.328	-2.502	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1	ZINC000971724357	662389163	/nfs/dbraw/zinc/38/91/63/662389163.db2.gz	BFWBMCOBVIRRKW-VIFPVBQESA-N	-1	1	324.385	-1.347	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@H]2COC(=O)N2)nc1=O	ZINC001038222364	662389842	/nfs/dbraw/zinc/38/98/42/662389842.db2.gz	PPOASGVSGFTEAD-JGVFFNPUSA-N	-1	1	310.314	-2.093	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)nc1=O	ZINC001038222369	662389932	/nfs/dbraw/zinc/38/99/32/662389932.db2.gz	PPOASGVSGFTEAD-SFYZADRCSA-N	-1	1	310.314	-2.093	20	0		DAADMM
Cc1nnc(CN[C@H]2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)[nH]1	ZINC001022369990	662391487	/nfs/dbraw/zinc/39/14/87/662391487.db2.gz	RELWCSMVVDSDGK-KNVOCYPGSA-N	-1	1	320.313	-1.240	20	0		DAADMM
CCn1ncc(C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)n1	ZINC001038228642	662392315	/nfs/dbraw/zinc/39/23/15/662392315.db2.gz	AXLQHMCWWDQBDZ-VIFPVBQESA-N	-1	1	320.357	-1.276	20	0		DAADMM
C[C@@H](C(N)=O)N(C)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000971866323	662392329	/nfs/dbraw/zinc/39/23/29/662392329.db2.gz	CFZGRMIKNDBJRJ-BQBZGAKWSA-N	-1	1	310.314	-1.697	20	0		DAADMM
CC[C@H](C(N)=O)N(C)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000971869615	662392908	/nfs/dbraw/zinc/39/29/08/662392908.db2.gz	LSKTUJJJECEZBP-JGVFFNPUSA-N	-1	1	324.341	-1.307	20	0		DAADMM
NC(=O)C(=O)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21	ZINC001022548903	662395411	/nfs/dbraw/zinc/39/54/11/662395411.db2.gz	UGDPULWZOKQREB-DTWKUNHWSA-N	-1	1	304.306	-1.055	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1	ZINC000972208301	662403495	/nfs/dbraw/zinc/40/34/95/662403495.db2.gz	YHRDBDQZQXMXPO-IUCAKERBSA-N	-1	1	323.357	-2.178	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1	ZINC000972214081	662404418	/nfs/dbraw/zinc/40/44/18/662404418.db2.gz	ASXRLVVEJRJOFZ-SECBINFHSA-N	-1	1	322.369	-1.593	20	0		DAADMM
CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C	ZINC000947505442	662406297	/nfs/dbraw/zinc/40/62/97/662406297.db2.gz	BIHIHAOTNLMZST-SFYZADRCSA-N	-1	1	324.341	-1.389	20	0		DAADMM
CNC(=O)CN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C	ZINC000947505442	662406298	/nfs/dbraw/zinc/40/62/98/662406298.db2.gz	BIHIHAOTNLMZST-SFYZADRCSA-N	-1	1	324.341	-1.389	20	0		DAADMM
NC(=O)CN1CCC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001023468407	662448985	/nfs/dbraw/zinc/44/89/85/662448985.db2.gz	SPQXPOKCRJQQNH-ZETCQYMHSA-N	-1	1	310.314	-1.790	20	0		DAADMM
CN(CC(N)=O)[C@@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000972719890	662464909	/nfs/dbraw/zinc/46/49/09/662464909.db2.gz	DBNMNZJFBLWENR-MRVPVSSYSA-N	-1	1	319.325	-1.951	20	0		DAADMM
C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(C)(C)O	ZINC000394022319	662501428	/nfs/dbraw/zinc/50/14/28/662501428.db2.gz	VDZYWRPKABEBED-SSDOTTSWSA-N	-1	1	305.356	-1.478	20	0		DAADMM
NC(=O)C(=O)N[C@H]1C[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1	ZINC000973287377	662509939	/nfs/dbraw/zinc/50/99/39/662509939.db2.gz	AUPBCJQZNIAOGF-ZKCHVHJHSA-N	-1	1	319.321	-1.078	20	0		DAADMM
O=C(N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1cnn[nH]1	ZINC000973436123	662514380	/nfs/dbraw/zinc/51/43/80/662514380.db2.gz	OJQOSMKGYXYHRL-URHBZAFASA-N	-1	1	320.269	-1.908	20	0		DAADMM
C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CCCN(CC(N)=O)C1	ZINC001025474899	662522018	/nfs/dbraw/zinc/52/20/18/662522018.db2.gz	PMLHPOOGTNCLFO-HTQZYQBOSA-N	-1	1	324.341	-1.402	20	0		DAADMM
NC(=O)C(=O)N[C@H]1C[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1	ZINC000974142313	662552022	/nfs/dbraw/zinc/55/20/22/662552022.db2.gz	AUPBCJQZNIAOGF-OCAPTIKFSA-N	-1	1	319.321	-1.078	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H](NC(=O)c2cnn[nH]2)C1	ZINC000974297617	662557307	/nfs/dbraw/zinc/55/73/07/662557307.db2.gz	MGWCEQAXQFRBNY-OLQVQODUSA-N	-1	1	322.285	-2.115	20	0		DAADMM
O=C(N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ncn[nH]1	ZINC000974336275	662558837	/nfs/dbraw/zinc/55/88/37/662558837.db2.gz	YOEDCYKWTFRQIO-SYDPRGILSA-N	-1	1	320.269	-1.908	20	0		DAADMM
O=C(N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1nc[nH]n1	ZINC000974336275	662558842	/nfs/dbraw/zinc/55/88/42/662558842.db2.gz	YOEDCYKWTFRQIO-SYDPRGILSA-N	-1	1	320.269	-1.908	20	0		DAADMM
O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@@H](CNCc2cnon2)C1	ZINC001026940224	662566905	/nfs/dbraw/zinc/56/69/05/662566905.db2.gz	CSUBWWRXYHXXRQ-ZETCQYMHSA-N	-1	1	321.297	-1.082	20	0		DAADMM
C[C@H](C(N)=O)N(C)[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001027479259	662600305	/nfs/dbraw/zinc/60/03/05/662600305.db2.gz	BODVISWZEUBXEQ-SFYZADRCSA-N	-1	1	324.341	-1.307	20	0		DAADMM
C[C@H](C(N)=O)N(C)[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001027479255	662600390	/nfs/dbraw/zinc/60/03/90/662600390.db2.gz	BODVISWZEUBXEQ-HTQZYQBOSA-N	-1	1	324.341	-1.307	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)nc1=O	ZINC001027861563	662630959	/nfs/dbraw/zinc/63/09/59/662630959.db2.gz	YMAFKKUAUHWYDB-IUCAKERBSA-N	-1	1	324.341	-1.703	20	0		DAADMM
Cn1cc(C(=O)NC[C@H]2CCCN2Cc2nc(=O)n(C)[n-]2)nn1	ZINC001027861111	662631015	/nfs/dbraw/zinc/63/10/15/662631015.db2.gz	RIONXIVJIPJMIC-SECBINFHSA-N	-1	1	320.357	-1.369	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H]2CNC(=O)[C@H]2COC(=O)N2)nc1=O	ZINC001027861562	662631221	/nfs/dbraw/zinc/63/12/21/662631221.db2.gz	YMAFKKUAUHWYDB-DTWKUNHWSA-N	-1	1	324.341	-1.703	20	0		DAADMM
CN1CC(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)=NC1=O	ZINC000950028230	662633487	/nfs/dbraw/zinc/63/34/87/662633487.db2.gz	DKWGLXBQBSQYMM-UHFFFAOYSA-N	-1	1	307.314	-1.093	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)CN3CCCC3=O)C2)nc1=O	ZINC001010107453	662634021	/nfs/dbraw/zinc/63/40/21/662634021.db2.gz	QQLOGWZKBATIBE-JTQLQIEISA-N	-1	1	322.369	-1.579	20	0		DAADMM
C[C@@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC000980274598	662635182	/nfs/dbraw/zinc/63/51/82/662635182.db2.gz	HWIHYXSDMIEJHG-JGVFFNPUSA-N	-1	1	312.330	-1.904	20	0		DAADMM
COC(=O)CNC(=O)C[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000027969134	662639367	/nfs/dbraw/zinc/63/93/67/662639367.db2.gz	LRZHHAWXUNKLBR-UHFFFAOYSA-N	-1	1	324.746	-1.359	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)nc1=O	ZINC001028109145	662645646	/nfs/dbraw/zinc/64/56/46/662645646.db2.gz	DRXNTTNHORUBQL-RKDXNWHRSA-N	-1	1	323.357	-2.130	20	0		DAADMM
Cc1n[nH]nc1C(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC000981730370	662646644	/nfs/dbraw/zinc/64/66/44/662646644.db2.gz	CURZHUKBUWCLHX-UHFFFAOYSA-N	-1	1	320.357	-1.117	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@@H]2CCNC(=O)C2)nc1=O	ZINC001038162838	662654490	/nfs/dbraw/zinc/65/44/90/662654490.db2.gz	YXIPVZIRAWZADD-ZJUUUORDSA-N	-1	1	322.369	-1.675	20	0		DAADMM
O=C(NC[C@@H]1CCN([C@H]2CCNC2=O)C1)c1n[nH]c(=O)[n-]c1=O	ZINC001028661181	662683553	/nfs/dbraw/zinc/68/35/53/662683553.db2.gz	GOIWOWJQMBBFPL-YUMQZZPRSA-N	-1	1	322.325	-1.777	20	0		DAADMM
C[C@H](C(N)=O)N1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001028661779	662683641	/nfs/dbraw/zinc/68/36/41/662683641.db2.gz	PBZNHBRYAXKWLD-RNFRBKRXSA-N	-1	1	310.314	-1.792	20	0		DAADMM
CNC(=O)CN1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001028662094	662683839	/nfs/dbraw/zinc/68/38/39/662683839.db2.gz	SZAQRPNZKZZJRG-SSDOTTSWSA-N	-1	1	310.314	-1.920	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)nc1=O	ZINC001028773907	662690437	/nfs/dbraw/zinc/69/04/37/662690437.db2.gz	OYRAZIUIJNZRAA-DTWKUNHWSA-N	-1	1	323.357	-2.272	20	0		DAADMM
Cn1ncc(C(=O)NC[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001028865278	662693072	/nfs/dbraw/zinc/69/30/72/662693072.db2.gz	OQVFHTGOCFXPDS-SECBINFHSA-N	-1	1	320.357	-1.511	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](CNC(=O)c3cnon3)C2)nc1=O	ZINC001028880333	662693228	/nfs/dbraw/zinc/69/32/28/662693228.db2.gz	BHZJJCXQPVTPSN-QMMMGPOBSA-N	-1	1	307.314	-1.257	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)nc1=O	ZINC001028936547	662694145	/nfs/dbraw/zinc/69/41/45/662694145.db2.gz	ZYPJWGVOCAVIMI-ZJUUUORDSA-N	-1	1	322.369	-1.675	20	0		DAADMM
O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NN1CC(=O)[N-]C1=O	ZINC000029020231	662698701	/nfs/dbraw/zinc/69/87/01/662698701.db2.gz	SFZOVPSZLOKHKF-UHFFFAOYSA-N	-1	1	317.261	-1.727	20	0		DAADMM
CO[N-]C(=O)CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000896703013	662707623	/nfs/dbraw/zinc/70/76/23/662707623.db2.gz	SLOPKMXHVYLBSB-MNOVXSKESA-N	-1	1	300.359	-1.095	20	0		DAADMM
CN(CC(=O)NC[C@](C)(O)C(=O)[O-])c1ncnc2[nH]cnc21	ZINC000262447739	662709893	/nfs/dbraw/zinc/70/98/93/662709893.db2.gz	VMYBZTTYEGAOSZ-LBPRGKRZSA-N	-1	1	308.298	-1.259	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)Cn2ncnn2)C1	ZINC001029737199	662711618	/nfs/dbraw/zinc/71/16/18/662711618.db2.gz	GDFRKBCKSLBBHN-SECBINFHSA-N	-1	1	321.345	-1.523	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1	ZINC001029822037	662712962	/nfs/dbraw/zinc/71/29/62/662712962.db2.gz	XRHSXWZLGKTMCS-DTWKUNHWSA-N	-1	1	323.357	-1.528	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C1CCN(C(=O)c2nnn(C)n2)CC1	ZINC000985585153	662713168	/nfs/dbraw/zinc/71/31/68/662713168.db2.gz	LJUVOWDZYCHQLP-UHFFFAOYSA-N	-1	1	321.345	-1.230	20	0		DAADMM
C[C@@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)Cn1cnnn1	ZINC000985938723	662714802	/nfs/dbraw/zinc/71/48/02/662714802.db2.gz	AYDAJGUIMSSBGP-HTQZYQBOSA-N	-1	1	307.318	-1.724	20	0		DAADMM
C[C@@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CN1CN=NC1=O	ZINC000986181316	662716013	/nfs/dbraw/zinc/71/60/13/662716013.db2.gz	GCUXZUPOFXKOEW-SFYZADRCSA-N	-1	1	322.329	-1.413	20	0		DAADMM
C[C@@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)Cn1nccn1	ZINC000986312547	662716847	/nfs/dbraw/zinc/71/68/47/662716847.db2.gz	UPLVOTLMHCCVBX-RKDXNWHRSA-N	-1	1	306.330	-1.119	20	0		DAADMM
C[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CS(C)(=O)=O	ZINC000988277881	662725299	/nfs/dbraw/zinc/72/52/99/662725299.db2.gz	HJNDAFSZJSWPAH-HTQZYQBOSA-N	-1	1	317.371	-1.366	20	0		DAADMM
C[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CN1CCOCC1	ZINC000988648855	662729463	/nfs/dbraw/zinc/72/94/63/662729463.db2.gz	AEONCIOQJNVZOR-QWRGUYRKSA-N	-1	1	324.385	-1.079	20	0		DAADMM
C[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CN1CN=NC1=O	ZINC000988665204	662730326	/nfs/dbraw/zinc/73/03/26/662730326.db2.gz	FPGHDNJWQNCMRG-JGVFFNPUSA-N	-1	1	322.329	-1.413	20	0		DAADMM
O=C(Cn1ncnn1)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1	ZINC000938000854	662737264	/nfs/dbraw/zinc/73/72/64/662737264.db2.gz	XZMYSUDIHZCSOW-VIFPVBQESA-N	-1	1	317.309	-1.195	20	0		DAADMM
C[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)Cn1ncnn1	ZINC000988838969	662739343	/nfs/dbraw/zinc/73/93/43/662739343.db2.gz	QEDWYCDVVMPWKZ-HTQZYQBOSA-N	-1	1	307.318	-1.724	20	0		DAADMM
C[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)c1nnn(C)n1	ZINC000989305935	662743116	/nfs/dbraw/zinc/74/31/16/662743116.db2.gz	DSTVTJKWZGCDNX-NKWVEPMBSA-N	-1	1	307.318	-1.573	20	0		DAADMM
C[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)c1c[nH]c(=O)cn1	ZINC000989373052	662743742	/nfs/dbraw/zinc/74/37/42/662743742.db2.gz	BDKPRKZYFVVSEQ-JGVFFNPUSA-N	-1	1	319.325	-1.014	20	0		DAADMM
Cc1nc(C(=O)NC2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)c[nH]1	ZINC000990491981	662763420	/nfs/dbraw/zinc/76/34/20/662763420.db2.gz	HOHQLWYXWVGTEU-UHFFFAOYSA-N	-1	1	321.297	-1.638	20	0		DAADMM
CN1CCC[C@H]1C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000990520130	662764081	/nfs/dbraw/zinc/76/40/81/662764081.db2.gz	WDZPGHBSSYNVJZ-QMMMGPOBSA-N	-1	1	322.325	-1.682	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)NC(N)=O)o1	ZINC000042264146	662774295	/nfs/dbraw/zinc/77/42/95/662774295.db2.gz	FTZWCXRJQVWVOC-UHFFFAOYSA-N	-1	1	305.268	-1.461	20	0		DAADMM
Cn1nnc(C(=O)N2CC(NC(=O)c3ncccc3[O-])C2)n1	ZINC000990976147	662788018	/nfs/dbraw/zinc/78/80/18/662788018.db2.gz	WEOFFZXLGRNXML-UHFFFAOYSA-N	-1	1	303.282	-1.435	20	0		DAADMM
NC(=O)C1(C(=O)N2CC(NC(=O)c3ncccc3[O-])C2)CC1	ZINC000990973227	662788175	/nfs/dbraw/zinc/78/81/75/662788175.db2.gz	XVMGMCYLIQIEQH-UHFFFAOYSA-N	-1	1	304.306	-1.007	20	0		DAADMM
O=C(NC1CN(C(=O)c2ncccc2[O-])C1)[C@@H]1COC(=O)N1	ZINC000991109113	662800193	/nfs/dbraw/zinc/80/01/93/662800193.db2.gz	DMGIQTAOLHSXNE-QMMMGPOBSA-N	-1	1	306.278	-1.164	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CC(N2CCOCC2)C1	ZINC000911656914	663150535	/nfs/dbraw/zinc/15/05/35/663150535.db2.gz	VYTKJSOEPPMHPI-UHFFFAOYSA-N	-1	1	308.338	-1.530	20	0		DAADMM
NC(=O)CC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC000991426949	663156052	/nfs/dbraw/zinc/15/60/52/663156052.db2.gz	NOXHHZQIGHAYTA-WPRPVWTQSA-N	-1	1	322.321	-1.646	20	0		DAADMM
O=C(C1CN([C@H]2CCOC2)C1)N1CCOC[C@@H]1c1nnn[n-]1	ZINC000913499046	663157983	/nfs/dbraw/zinc/15/79/83/663157983.db2.gz	LFSBOKRKKCIHQB-WDEREUQCSA-N	-1	1	308.342	-1.180	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@@H]2COCCO2)nc1=O	ZINC001038056888	663159263	/nfs/dbraw/zinc/15/92/63/663159263.db2.gz	DWVNMPKXKHIXGU-UWVGGRQHSA-N	-1	1	311.342	-1.786	20	0		DAADMM
Cc1nnsc1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001030095151	663164691	/nfs/dbraw/zinc/16/46/91/663164691.db2.gz	GERHIEUCURMDAG-UHFFFAOYSA-N	-1	1	309.355	-1.117	20	0		DAADMM
Cc1c(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)nnn1C	ZINC001030173287	663168879	/nfs/dbraw/zinc/16/88/79/663168879.db2.gz	ACKCRKLLZGSKPO-UHFFFAOYSA-N	-1	1	306.330	-1.840	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@@H]3CCNC(=O)C3)C2)nc1=O	ZINC001030215206	663170794	/nfs/dbraw/zinc/17/07/94/663170794.db2.gz	PXIHNXOHOXGIAT-MRVPVSSYSA-N	-1	1	308.342	-2.065	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)C[C@@H]3COC(=O)C3)C2)nc1=O	ZINC001030215417	663170835	/nfs/dbraw/zinc/17/08/35/663170835.db2.gz	ZNMGPFFUVPCCBT-QMMMGPOBSA-N	-1	1	309.326	-1.638	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CC3OCCCO3)C2)nc1=O	ZINC001030249052	663172954	/nfs/dbraw/zinc/17/29/54/663172954.db2.gz	KMISVWLXJMGDRN-UHFFFAOYSA-N	-1	1	311.342	-1.438	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)C3CCC(O)CC3)C2)nc1=O	ZINC001030262769	663173894	/nfs/dbraw/zinc/17/38/94/663173894.db2.gz	ZEWLOBCNKAOAIO-UHFFFAOYSA-N	-1	1	309.370	-1.040	20	0		DAADMM
CCn1nncc1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001030280337	663175389	/nfs/dbraw/zinc/17/53/89/663175389.db2.gz	MULGPCKKAYJSHQ-UHFFFAOYSA-N	-1	1	306.330	-1.666	20	0		DAADMM
C[C@H](C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1)c1ccnn1C	ZINC001030331496	663179610	/nfs/dbraw/zinc/17/96/10/663179610.db2.gz	HBXGBGLYCFGTSG-VIFPVBQESA-N	-1	1	319.369	-1.054	20	0		DAADMM
CCn1ccc(CC(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001030341711	663180213	/nfs/dbraw/zinc/18/02/13/663180213.db2.gz	IRMYLOWNSLAGGV-UHFFFAOYSA-N	-1	1	319.369	-1.132	20	0		DAADMM
NC(=O)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC000991717640	663185593	/nfs/dbraw/zinc/18/55/93/663185593.db2.gz	AKEIIUMOWPLNKG-IONNQARKSA-N	-1	1	308.294	-2.036	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)C[C@H]3CCNC3=O)C2)nc1=O	ZINC001030433515	663193655	/nfs/dbraw/zinc/19/36/55/663193655.db2.gz	DQEDEANRMMQPQS-MRVPVSSYSA-N	-1	1	308.342	-2.065	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CN3CCOCC3=O)C2)nc1=O	ZINC001030449855	663195396	/nfs/dbraw/zinc/19/53/96/663195396.db2.gz	WWRWLAWSQXEQQN-UHFFFAOYSA-N	-1	1	324.341	-2.732	20	0		DAADMM
C[C@@H]1OCCO[C@@H]1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001030466923	663196762	/nfs/dbraw/zinc/19/67/62/663196762.db2.gz	XSWBYUQGQGTIRP-KWQFWETISA-N	-1	1	311.342	-1.787	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3cnc4n3CCC4)C2)nc1=O	ZINC001030463108	663196788	/nfs/dbraw/zinc/19/67/88/663196788.db2.gz	YNKWKWCYUMRDJY-UHFFFAOYSA-N	-1	1	317.353	-1.135	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@@H]3CCCNC3=O)C2)nc1=O	ZINC001030477416	663197300	/nfs/dbraw/zinc/19/73/00/663197300.db2.gz	FBPFASRDVOGKNL-SECBINFHSA-N	-1	1	308.342	-2.065	20	0		DAADMM
Cn1cnn(CC(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)c1=O	ZINC001030575279	663201294	/nfs/dbraw/zinc/20/12/94/663201294.db2.gz	MTUXWGDIFFDSEQ-UHFFFAOYSA-N	-1	1	322.329	-2.996	20	0		DAADMM
CCN1CCOC[C@H]1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001030578032	663201558	/nfs/dbraw/zinc/20/15/58/663201558.db2.gz	MNEAFLJYGNUXRZ-NSHDSACASA-N	-1	1	324.385	-1.871	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@H]3CCC(=O)NC3)C2)nc1=O	ZINC001030590693	663202038	/nfs/dbraw/zinc/20/20/38/663202038.db2.gz	SBBUTKDQJOFJQD-QMMMGPOBSA-N	-1	1	308.342	-2.065	20	0		DAADMM
COc1cc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)nn1C	ZINC001030652321	663209486	/nfs/dbraw/zinc/20/94/86/663209486.db2.gz	KBELACDOUDHWIJ-UHFFFAOYSA-N	-1	1	321.341	-1.535	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3cn(C)ccc3=O)C2)nc1=O	ZINC001030656052	663209644	/nfs/dbraw/zinc/20/96/44/663209644.db2.gz	MVEGXNWDNFSEHJ-UHFFFAOYSA-N	-1	1	318.337	-1.579	20	0		DAADMM
Cc1cc(CC(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)n(C)n1	ZINC001030671213	663211665	/nfs/dbraw/zinc/21/16/65/663211665.db2.gz	HMLBDAZJNWTXSI-UHFFFAOYSA-N	-1	1	319.369	-1.307	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)Cc3ccc(=O)[nH]c3)C2)nc1=O	ZINC001030693979	663214413	/nfs/dbraw/zinc/21/44/13/663214413.db2.gz	WKRJBHHWWWSKKQ-UHFFFAOYSA-N	-1	1	318.337	-1.248	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3coc(C(N)=O)c3)C2)nc1=O	ZINC001030738186	663217979	/nfs/dbraw/zinc/21/79/79/663217979.db2.gz	XSJPGHSMJFJVRN-UHFFFAOYSA-N	-1	1	320.309	-1.586	20	0		DAADMM
COc1nc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)co1	ZINC001030749916	663219075	/nfs/dbraw/zinc/21/90/75/663219075.db2.gz	RMIQXGKIJRSSMQ-UHFFFAOYSA-N	-1	1	308.298	-1.281	20	0		DAADMM
Cc1cnn(C)c1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001030807815	663225095	/nfs/dbraw/zinc/22/50/95/663225095.db2.gz	CRRIFLILLLHWIJ-UHFFFAOYSA-N	-1	1	305.342	-1.235	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@H]3CCC(=O)N3C)C2)nc1=O	ZINC001030829558	663226965	/nfs/dbraw/zinc/22/69/65/663226965.db2.gz	TVEPMFOWYKJCRF-SECBINFHSA-N	-1	1	308.342	-1.970	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@]3(C)CCC(=O)N3)C2)nc1=O	ZINC001030903656	663233199	/nfs/dbraw/zinc/23/31/99/663233199.db2.gz	PXUDIWASRSSPRD-ZDUSSCGKSA-N	-1	1	308.342	-1.923	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)C[C@@H]3CCC(=O)N3)C2)nc1=O	ZINC001031093829	663246738	/nfs/dbraw/zinc/24/67/38/663246738.db2.gz	LUCHKSGUNIGHDM-QMMMGPOBSA-N	-1	1	308.342	-1.923	20	0		DAADMM
O=C(Cn1nnc2ccccc2c1=O)NN1CC(=O)[N-]C1=O	ZINC000031907478	663247045	/nfs/dbraw/zinc/24/70/45/663247045.db2.gz	VXPJINLVZSJBHQ-UHFFFAOYSA-N	-1	1	302.250	-1.626	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)C3CC(=O)NC(=O)C3)C2)nc1=O	ZINC001031098488	663247516	/nfs/dbraw/zinc/24/75/16/663247516.db2.gz	YMKFIDWMQGFFCQ-UHFFFAOYSA-N	-1	1	322.325	-2.538	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@H]3C[C@]34CCOC4)C2)nc1=O	ZINC001031221112	663257167	/nfs/dbraw/zinc/25/71/67/663257167.db2.gz	AYDVCGFMAHXGFQ-YGRLFVJLSA-N	-1	1	307.354	-1.165	20	0		DAADMM
C[C@@H]1CCN(C(=O)C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)C1	ZINC001031227525	663257723	/nfs/dbraw/zinc/25/77/23/663257723.db2.gz	FYKPAIXZUILOJM-SECBINFHSA-N	-1	1	322.369	-1.723	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1CN([C@H](C)C(N)=O)C1	ZINC001031249939	663261203	/nfs/dbraw/zinc/26/12/03/663261203.db2.gz	MEKWLRJJXGURMR-RXMQYKEDSA-N	-1	1	311.298	-1.816	20	0		DAADMM
CC[C@H](C(N)=O)N1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001031252343	663262270	/nfs/dbraw/zinc/26/22/70/663262270.db2.gz	DZFAXJMBMIWMPE-SECBINFHSA-N	-1	1	319.325	-1.905	20	0		DAADMM
C[C@H](C(N)=O)N1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001031251710	663262288	/nfs/dbraw/zinc/26/22/88/663262288.db2.gz	VQAKQIJTIAJSEH-ZCFIWIBFSA-N	-1	1	305.298	-2.295	20	0		DAADMM
CNC(=O)[C@@H](C)N1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001031254089	663263042	/nfs/dbraw/zinc/26/30/42/663263042.db2.gz	WSYQKOIUOXCLEE-SSDOTTSWSA-N	-1	1	319.325	-2.034	20	0		DAADMM
Cn1cncc1CC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031260145	663263830	/nfs/dbraw/zinc/26/38/30/663263830.db2.gz	MKKSRDDKMJOVOR-UHFFFAOYSA-N	-1	1	305.342	-1.615	20	0		DAADMM
CCn1cnc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC001031267102	663264087	/nfs/dbraw/zinc/26/40/87/663264087.db2.gz	QTQROSVYXYLLBI-UHFFFAOYSA-N	-1	1	305.342	-1.061	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3cccn(C)c3=O)C2)nc1=O	ZINC001031275409	663264118	/nfs/dbraw/zinc/26/41/18/663264118.db2.gz	LLUNSJVFYBQJSH-UHFFFAOYSA-N	-1	1	318.337	-1.579	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C[C@H]2C[C@@]23CCOC3)C1	ZINC001031314759	663279698	/nfs/dbraw/zinc/27/96/98/663279698.db2.gz	IUHMSSWJNJHWLW-YMTOWFKASA-N	-1	1	323.353	-1.084	20	0		DAADMM
Cc1nc(CN2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n[nH]1	ZINC001031315138	663279924	/nfs/dbraw/zinc/27/99/24/663279924.db2.gz	VVENKYPOHMPZEK-UHFFFAOYSA-N	-1	1	308.302	-1.884	20	0		DAADMM
NC(=O)NC[C@@H]1CCCCN1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000733145194	663281091	/nfs/dbraw/zinc/28/10/91/663281091.db2.gz	TWVNBXOYDGGLMC-JTQLQIEISA-N	-1	1	323.353	-1.024	20	0		DAADMM
CC(=O)N1CC[C@H](C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)C1	ZINC001031319151	663281552	/nfs/dbraw/zinc/28/15/52/663281552.db2.gz	JLULTZRJFIAUGN-JTQLQIEISA-N	-1	1	322.369	-1.723	20	0		DAADMM
CC(=O)N1CC[C@@H](C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)C1	ZINC001031319152	663281836	/nfs/dbraw/zinc/28/18/36/663281836.db2.gz	JLULTZRJFIAUGN-SNVBAGLBSA-N	-1	1	322.369	-1.723	20	0		DAADMM
Cc1nccc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001031401694	663289767	/nfs/dbraw/zinc/28/97/67/663289767.db2.gz	HZIXISFRIBXYEQ-UHFFFAOYSA-N	-1	1	303.326	-1.179	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)c3cc[n+]([O-])cc3)C2)nc1=O	ZINC001031536731	663297237	/nfs/dbraw/zinc/29/72/37/663297237.db2.gz	FGGUNJKBYHPVIR-UHFFFAOYSA-N	-1	1	318.337	-1.396	20	0		DAADMM
C[C@H](C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1)c1cnn(C)c1	ZINC001031507486	663297430	/nfs/dbraw/zinc/29/74/30/663297430.db2.gz	VSGIVXFPZJCVID-VIFPVBQESA-N	-1	1	319.369	-1.054	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)C3=COCCO3)C2)nc1=O	ZINC001031527944	663297589	/nfs/dbraw/zinc/29/75/89/663297589.db2.gz	NEJIDRZKKLWSPK-UHFFFAOYSA-N	-1	1	309.326	-1.455	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)c3ccc(=O)[nH]n3)C2)nc1=O	ZINC001031532523	663297733	/nfs/dbraw/zinc/29/77/33/663297733.db2.gz	YBWOUYFIWGWNQQ-UHFFFAOYSA-N	-1	1	319.325	-1.534	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)c3cnns3)C2)nc1=O	ZINC001031561764	663299177	/nfs/dbraw/zinc/29/91/77/663299177.db2.gz	AQPLKHMKXNLABW-UHFFFAOYSA-N	-1	1	309.355	-1.178	20	0		DAADMM
COC(=O)[C@H]1C[C@H]1C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031578214	663300050	/nfs/dbraw/zinc/30/00/50/663300050.db2.gz	HPNQJPDBIZZUPT-ZJUUUORDSA-N	-1	1	323.353	-1.535	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@H]3CN(C)CCO3)C2)nc1=O	ZINC001031595485	663302050	/nfs/dbraw/zinc/30/20/50/663302050.db2.gz	XUCVMUAGVADVPQ-LLVKDONJSA-N	-1	1	324.385	-2.013	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@H]3CCNC(=O)C3)C2)nc1=O	ZINC001031613097	663302777	/nfs/dbraw/zinc/30/27/77/663302777.db2.gz	JQGBMYNQURDPOD-JTQLQIEISA-N	-1	1	322.369	-1.817	20	0		DAADMM
Cn1ncc(C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)c1N	ZINC001031628944	663304119	/nfs/dbraw/zinc/30/41/19/663304119.db2.gz	IJWSNCJVYBRPIM-UHFFFAOYSA-N	-1	1	320.357	-1.714	20	0		DAADMM
O=C(CN1C(=O)c2ccccc2C1=O)NN1CC(=O)[N-]C1=O	ZINC000921245710	663307955	/nfs/dbraw/zinc/30/79/55/663307955.db2.gz	ISHDHMNYVYRSKB-UHFFFAOYSA-N	-1	1	302.246	-1.134	20	0		DAADMM
O=C(N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ncn[nH]1	ZINC000938452549	663319723	/nfs/dbraw/zinc/31/97/23/663319723.db2.gz	GVRIJKBOBAGRSU-YFKPBYRVSA-N	-1	1	320.269	-1.955	20	0		DAADMM
O=C(N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1nc[nH]n1	ZINC000938452549	663319725	/nfs/dbraw/zinc/31/97/25/663319725.db2.gz	GVRIJKBOBAGRSU-YFKPBYRVSA-N	-1	1	320.269	-1.955	20	0		DAADMM
Cn1nnc(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)n1	ZINC000938460470	663321246	/nfs/dbraw/zinc/32/12/46/663321246.db2.gz	VYNAIVXYPFECBK-QMMMGPOBSA-N	-1	1	317.309	-1.045	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)c3cn[nH]c(=O)c3)C2)nc1=O	ZINC001031750616	663338726	/nfs/dbraw/zinc/33/87/26/663338726.db2.gz	CNTCOTWLFSRDOC-UHFFFAOYSA-N	-1	1	319.325	-1.534	20	0		DAADMM
Cc1nc(CN2CC(CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n[nH]1	ZINC001031816043	663353007	/nfs/dbraw/zinc/35/30/07/663353007.db2.gz	VGFBZMKNTNPFBO-UHFFFAOYSA-N	-1	1	320.313	-1.429	20	0		DAADMM
C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC000939390138	663354844	/nfs/dbraw/zinc/35/48/44/663354844.db2.gz	YUHJLJLIPGNCIT-RKDXNWHRSA-N	-1	1	321.345	-1.476	20	0		DAADMM
O=C(N[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1)c1ncccc1[O-]	ZINC000940135480	663368360	/nfs/dbraw/zinc/36/83/60/663368360.db2.gz	AIVCOPXBUKFTCK-BDAKNGLRSA-N	-1	1	319.321	-1.201	20	0		DAADMM
COc1nc(C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)co1	ZINC001031880101	663372300	/nfs/dbraw/zinc/37/23/00/663372300.db2.gz	DUPDUFDHBFYTOF-UHFFFAOYSA-N	-1	1	322.325	-1.033	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)nc1=O	ZINC001031897065	663375820	/nfs/dbraw/zinc/37/58/20/663375820.db2.gz	OCUKQVQZJGBDFM-UWVGGRQHSA-N	-1	1	322.369	-1.832	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@@H]3CCNC3=O)C2)nc1=O	ZINC001031897649	663376155	/nfs/dbraw/zinc/37/61/55/663376155.db2.gz	VANNUBVDXBMZEK-SECBINFHSA-N	-1	1	308.342	-2.208	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@H]2CCNC2=O)nc1=O	ZINC001038595592	663382389	/nfs/dbraw/zinc/38/23/89/663382389.db2.gz	UFQLDOHGTMZYMG-IUCAKERBSA-N	-1	1	308.342	-2.065	20	0		DAADMM
CN1C[C@@H](C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)NC1=O	ZINC001038596212	663385777	/nfs/dbraw/zinc/38/57/77/663385777.db2.gz	JBVOTLBJKKMPLO-IUCAKERBSA-N	-1	1	323.357	-2.178	20	0		DAADMM
CCC(=O)N1CCN(C2CN(Cc3nc(=O)n(C)[n-]3)C2)CC1	ZINC000941260792	663386553	/nfs/dbraw/zinc/38/65/53/663386553.db2.gz	WGRVEHMKAMBJQH-UHFFFAOYSA-N	-1	1	308.386	-1.153	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)C1	ZINC000941446502	663394032	/nfs/dbraw/zinc/39/40/32/663394032.db2.gz	VLVIINHHGISWFM-ZCFIWIBFSA-N	-1	1	322.285	-2.162	20	0		DAADMM
CN1CC(C(=O)NCC2CN(Cc3n[nH]c(=O)[n-]3)C2)=NC1=O	ZINC001031951959	663394380	/nfs/dbraw/zinc/39/43/80/663394380.db2.gz	ZENDSAQQEYTZGW-UHFFFAOYSA-N	-1	1	307.314	-1.189	20	0		DAADMM
Cn1[n-]c(CN2CC(N3CCN(C(=O)C(N)=O)CC3)C2)nc1=O	ZINC000941538648	663397624	/nfs/dbraw/zinc/39/76/24/663397624.db2.gz	HPUMIIWUMMZCTB-UHFFFAOYSA-N	-1	1	323.357	-3.078	20	0		DAADMM
CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)c1ncccc1[O-]	ZINC000941603602	663400089	/nfs/dbraw/zinc/40/00/89/663400089.db2.gz	WZGHZJJHXKSOAA-VXNVDRBHSA-N	-1	1	308.294	-1.772	20	0		DAADMM
O=C(N[C@@H]1CCN(C(=O)c2ccn[nH]2)C1)c1n[nH]c(=O)[n-]c1=O	ZINC000941792119	663404842	/nfs/dbraw/zinc/40/48/42/663404842.db2.gz	LESMHOUVWWDTKY-ZCFIWIBFSA-N	-1	1	319.281	-1.350	20	0		DAADMM
NC(=O)C(=O)N[C@@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000942303235	663419792	/nfs/dbraw/zinc/41/97/92/663419792.db2.gz	OKHZKUVXTQPUMG-ZCFIWIBFSA-N	-1	1	319.281	-2.766	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)c3cccnn3)C2)nc1=O	ZINC001032066176	663432809	/nfs/dbraw/zinc/43/28/09/663432809.db2.gz	JXJHDVMJNGAPPU-UHFFFAOYSA-N	-1	1	303.326	-1.240	20	0		DAADMM
Cn1cnc(S(=O)(=O)[N-]CCN2C(=O)CNC2=O)c1Cl	ZINC000733317324	663461331	/nfs/dbraw/zinc/46/13/31/663461331.db2.gz	VLYGJJWXQKUUOA-UHFFFAOYSA-N	-1	1	321.746	-1.096	20	0		DAADMM
Cc1nonc1C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001032224445	663469414	/nfs/dbraw/zinc/46/94/14/663469414.db2.gz	JJINDRLAJNLTKK-UHFFFAOYSA-N	-1	1	307.314	-1.338	20	0		DAADMM
CC1(C)CN(C(=O)[C@H]2COC(=O)N2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC000995759053	663481787	/nfs/dbraw/zinc/48/17/87/663481787.db2.gz	BRTYFMGWDJXUKF-SFYZADRCSA-N	-1	1	324.341	-1.055	20	0		DAADMM
CC1(C)CN(C(=O)[C@H]2CCNC2=O)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC000996129992	663483515	/nfs/dbraw/zinc/48/35/15/663483515.db2.gz	WVFJWTJHXYNEMQ-IUCAKERBSA-N	-1	1	322.369	-1.027	20	0		DAADMM
CC1(C)CN(C(=O)[C@@H]2CCNC2=O)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC000996129989	663483549	/nfs/dbraw/zinc/48/35/49/663483549.db2.gz	WVFJWTJHXYNEMQ-BDAKNGLRSA-N	-1	1	322.369	-1.027	20	0		DAADMM
CC1(C)CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC000996211909	663483951	/nfs/dbraw/zinc/48/39/51/663483951.db2.gz	JUSCSOCJGOUBMM-JGVFFNPUSA-N	-1	1	323.357	-1.482	20	0		DAADMM
COCC(=O)N1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000996410128	663486105	/nfs/dbraw/zinc/48/61/05/663486105.db2.gz	ZHBPPNVNNOMQFF-UHFFFAOYSA-N	-1	1	306.282	-1.995	20	0		DAADMM
CO[C@@H](C)C(=O)N1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000996409711	663486231	/nfs/dbraw/zinc/48/62/31/663486231.db2.gz	XSBRJOMXPRQURT-ZETCQYMHSA-N	-1	1	320.309	-1.607	20	0		DAADMM
NC(=O)CC(=O)N1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000996409634	663486352	/nfs/dbraw/zinc/48/63/52/663486352.db2.gz	WTABZFJRZZQKFK-UHFFFAOYSA-N	-1	1	319.281	-2.766	20	0		DAADMM
CCN1CCO[C@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC000734820745	663493403	/nfs/dbraw/zinc/49/34/03/663493403.db2.gz	VMCTTZYTFIOVJB-LLVKDONJSA-N	-1	1	310.354	-1.236	20	0		DAADMM
Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nc(=O)n(C)[n-]2)c1	ZINC001032354728	663498536	/nfs/dbraw/zinc/49/85/36/663498536.db2.gz	WWIZQRUQRLCESS-UWVGGRQHSA-N	-1	1	317.353	-1.059	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@]23C[C@H]2COC3)nc1=O	ZINC001032414074	663507477	/nfs/dbraw/zinc/50/74/77/663507477.db2.gz	HQEPFEHHVGHQQC-VEABSNGSSA-N	-1	1	319.365	-1.070	20	0		DAADMM
Cc1cc(C(=O)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)[nH]n1	ZINC000997267980	663509066	/nfs/dbraw/zinc/50/90/66/663509066.db2.gz	XSUBLAQPEQOIBT-UHFFFAOYSA-N	-1	1	321.297	-1.638	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)Cn2nccn2)nc1=O	ZINC001032424786	663510068	/nfs/dbraw/zinc/51/00/68/663510068.db2.gz	SHRNAFDUZLJQDX-UWVGGRQHSA-N	-1	1	318.341	-1.815	20	0		DAADMM
CN1C[C@@H](C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)NC1=O	ZINC000997442144	663517934	/nfs/dbraw/zinc/51/79/34/663517934.db2.gz	PHNLWDHUAXPPHP-VIFPVBQESA-N	-1	1	319.321	-1.249	20	0		DAADMM
CN1C[C@H](C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)NC1=O	ZINC000997442143	663517998	/nfs/dbraw/zinc/51/79/98/663517998.db2.gz	PHNLWDHUAXPPHP-SECBINFHSA-N	-1	1	319.321	-1.249	20	0		DAADMM
O=C(CCc1n[nH]c(=O)[n-]c1=O)N1C[C@@H]2C[C@H]1CN2CCCO	ZINC001032495214	663520910	/nfs/dbraw/zinc/52/09/10/663520910.db2.gz	IHYDGNKNDXIWQC-UWVGGRQHSA-N	-1	1	323.353	-1.117	20	0		DAADMM
Cn1cncc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[n-]1	ZINC001032501766	663521313	/nfs/dbraw/zinc/52/13/13/663521313.db2.gz	VWOMGFKAWJAZRH-UWVGGRQHSA-N	-1	1	317.353	-1.059	20	0		DAADMM
C[C@H](O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cnc([O-])n(C)c1=O	ZINC001032557179	663526572	/nfs/dbraw/zinc/52/65/72/663526572.db2.gz	OKPXIVBUJAHNCK-GUBZILKMSA-N	-1	1	308.338	-1.235	20	0		DAADMM
Cn1nnc(C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)n1	ZINC000997864529	663528676	/nfs/dbraw/zinc/52/86/76/663528676.db2.gz	OWZWKLSSHYKHMI-UHFFFAOYSA-N	-1	1	303.282	-1.435	20	0		DAADMM
Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nc(=O)n(C)[n-]2)n1	ZINC001032571412	663531391	/nfs/dbraw/zinc/53/13/91/663531391.db2.gz	CJJYFBCHKSMMMP-YUMQZZPRSA-N	-1	1	319.329	-2.269	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2[C@@H]3COC[C@@H]32)nc1=O	ZINC001032575390	663531501	/nfs/dbraw/zinc/53/15/01/663531501.db2.gz	FWCSNMRFUOUJGD-HKLXJQGRSA-N	-1	1	319.365	-1.214	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)C2(C(N)=O)CC2)nc1=O	ZINC001032600217	663536682	/nfs/dbraw/zinc/53/66/82/663536682.db2.gz	FUDJNSJJTPWBLV-IUCAKERBSA-N	-1	1	320.353	-1.841	20	0		DAADMM
NC(=O)C(=O)NC1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000998705352	663549924	/nfs/dbraw/zinc/54/99/24/663549924.db2.gz	SQGXQIULDIKOOO-UHFFFAOYSA-N	-1	1	305.254	-3.157	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ccnnc2)nc1=O	ZINC001032647321	663556737	/nfs/dbraw/zinc/55/67/37/663556737.db2.gz	SFMHDSKUSJCOAI-QWRGUYRKSA-N	-1	1	315.337	-1.003	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ncccn2)nc1=O	ZINC001032695016	663559065	/nfs/dbraw/zinc/55/90/65/663559065.db2.gz	WAGDRONZIQKBHT-UWVGGRQHSA-N	-1	1	315.337	-1.003	20	0		DAADMM
O=C([C@H]1CNC(=O)N1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001000052671	663573250	/nfs/dbraw/zinc/57/32/50/663573250.db2.gz	ZCRFDARKJRYAJU-HTQZYQBOSA-N	-1	1	309.330	-1.728	20	0		DAADMM
NC(=O)C1(C(=O)N2CCC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)CC1	ZINC001000062334	663575126	/nfs/dbraw/zinc/57/51/26/663575126.db2.gz	JKHMEPJEUXCWDX-MRVPVSSYSA-N	-1	1	308.342	-1.144	20	0		DAADMM
Cc1nn[nH]c1C(=O)NC1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001003415238	663628406	/nfs/dbraw/zinc/62/84/06/663628406.db2.gz	FDEUATPATZXYFH-UHFFFAOYSA-N	-1	1	320.357	-1.071	20	0		DAADMM
O=C(NCC1CN(C(=O)c2ccn[nH]2)C1)c1n[nH]c(=O)[n-]c1=O	ZINC001003394050	663628432	/nfs/dbraw/zinc/62/84/32/663628432.db2.gz	TWXDQGUUEAVQLO-UHFFFAOYSA-N	-1	1	319.281	-1.492	20	0		DAADMM
Cn1[n-]c(CN2CCC(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)nc1=O	ZINC001003639914	663633893	/nfs/dbraw/zinc/63/38/93/663633893.db2.gz	HBWRGAZOQOKLIE-ZJUUUORDSA-N	-1	1	322.369	-1.690	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(CNC(=O)c2ncn[nH]2)C1	ZINC001003693184	663635598	/nfs/dbraw/zinc/63/55/98/663635598.db2.gz	VZESCAVPHPYRLL-UHFFFAOYSA-N	-1	1	322.285	-2.304	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(CNC(=O)c2nc[nH]n2)C1	ZINC001003693184	663635602	/nfs/dbraw/zinc/63/56/02/663635602.db2.gz	VZESCAVPHPYRLL-UHFFFAOYSA-N	-1	1	322.285	-2.304	20	0		DAADMM
Cn1[n-]c(CN2CCC(NC(=O)Cn3cncn3)CC2)nc1=O	ZINC001004103477	663645222	/nfs/dbraw/zinc/64/52/22/663645222.db2.gz	RZKLZXNDLAUHAE-UHFFFAOYSA-N	-1	1	320.357	-1.519	20	0		DAADMM
CN(C(=O)[C@H]1CCNC1=O)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033321126	663657985	/nfs/dbraw/zinc/65/79/85/663657985.db2.gz	IVJRQMATJVYBLF-ZJUUUORDSA-N	-1	1	322.369	-1.723	20	0		DAADMM
Cc1n[nH]nc1C(=O)N(C)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033318512	663658008	/nfs/dbraw/zinc/65/80/08/663658008.db2.gz	NCLOSNJGEIBABF-SECBINFHSA-N	-1	1	320.357	-1.119	20	0		DAADMM
CN(C(=O)c1nnn(C)n1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033344034	663659607	/nfs/dbraw/zinc/65/96/07/663659607.db2.gz	FVQMTCGUJWRELJ-QMMMGPOBSA-N	-1	1	321.345	-2.022	20	0		DAADMM
CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033429152	663660960	/nfs/dbraw/zinc/66/09/60/663660960.db2.gz	JQZUVNQHGMPNLI-BBBLOLIVSA-N	-1	1	322.369	-1.738	20	0		DAADMM
CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H]1CCN(CCO)C1	ZINC001033510884	663662009	/nfs/dbraw/zinc/66/20/09/663662009.db2.gz	ZHZZGVPXRUKILO-JTQLQIEISA-N	-1	1	320.353	-1.404	20	0		DAADMM
CN(C(=O)c1cnon1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033528827	663662390	/nfs/dbraw/zinc/66/23/90/663662390.db2.gz	YPRSMNHPSIFYSG-MRVPVSSYSA-N	-1	1	307.314	-1.162	20	0		DAADMM
CN(C(=O)c1cc(=O)n2[n-]cnc2n1)[C@@H]1CCN(CC(N)=O)C1	ZINC001033583478	663663517	/nfs/dbraw/zinc/66/35/17/663663517.db2.gz	QQFSOXMKZAJBBV-MRVPVSSYSA-N	-1	1	319.325	-1.951	20	0		DAADMM
CN1CCOC[C@H]1C(=O)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001034912536	663675350	/nfs/dbraw/zinc/67/53/50/663675350.db2.gz	XZIDFQLOMBNRKK-MNOVXSKESA-N	-1	1	324.385	-1.079	20	0		DAADMM
O=C([C@H]1COC(=O)N1)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001034926698	663675772	/nfs/dbraw/zinc/67/57/72/663675772.db2.gz	LYERTSHKJILZOJ-HTQZYQBOSA-N	-1	1	310.314	-1.301	20	0		DAADMM
O=C([C@@H]1CNC(=O)N1)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001035030065	663676366	/nfs/dbraw/zinc/67/63/66/663676366.db2.gz	BINRFHQBZYWQHR-SFYZADRCSA-N	-1	1	309.330	-1.728	20	0		DAADMM
O=C([C@@H]1CCNC1=O)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001035011746	663676678	/nfs/dbraw/zinc/67/66/78/663676678.db2.gz	IPMIVPPTPQNTHA-RKDXNWHRSA-N	-1	1	308.342	-1.273	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@@H](CNC(=O)c3cnco3)C2)nc1=O	ZINC001035464498	663684695	/nfs/dbraw/zinc/68/46/95/663684695.db2.gz	AIFNXMIYYRBDRW-VIFPVBQESA-N	-1	1	322.325	-1.273	20	0		DAADMM
CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCN(CCOC)C1	ZINC000804897064	663797387	/nfs/dbraw/zinc/79/73/87/663797387.db2.gz	DJMLSQXVXYWETE-LLVKDONJSA-N	-1	1	303.359	-1.092	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCN(C2CC2)C(=O)C1	ZINC000748503933	663800834	/nfs/dbraw/zinc/80/08/34/663800834.db2.gz	HDZWAXKNLQDTJP-UHFFFAOYSA-N	-1	1	306.322	-1.240	20	0		DAADMM
CC[C@@](C)([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(N)=O	ZINC000750617296	663801703	/nfs/dbraw/zinc/80/17/03/663801703.db2.gz	WTDLSQYPBHZYDA-LLVKDONJSA-N	-1	1	318.355	-1.984	20	0		DAADMM
CC[C@](C)([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(N)=O	ZINC000750617302	663801708	/nfs/dbraw/zinc/80/17/08/663801708.db2.gz	WTDLSQYPBHZYDA-NSHDSACASA-N	-1	1	318.355	-1.984	20	0		DAADMM
CC(C)N1C(=O)C[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1=O	ZINC000751399729	663802523	/nfs/dbraw/zinc/80/25/23/663802523.db2.gz	PDTFFNOXICMKPM-VIFPVBQESA-N	-1	1	322.321	-1.421	20	0		DAADMM
COC(=O)[C@@H]1COCCN1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000752681212	663803425	/nfs/dbraw/zinc/80/34/25/663803425.db2.gz	ZGKLUDNYYDMJRO-VIFPVBQESA-N	-1	1	311.294	-1.673	20	0		DAADMM
O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NN1CC(=O)[N-]C1=O	ZINC000752693205	663803455	/nfs/dbraw/zinc/80/34/55/663803455.db2.gz	DRGWBCHOVRPIRF-OCAPTIKFSA-N	-1	1	308.294	-1.255	20	0		DAADMM
COC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)C(N)=O	ZINC000758483525	663808003	/nfs/dbraw/zinc/80/80/03/663808003.db2.gz	MFJJRKFVEWXANX-LURJTMIESA-N	-1	1	306.296	-1.155	20	0		DAADMM
CCNC(=O)N1CC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC000760924896	663810261	/nfs/dbraw/zinc/81/02/61/663810261.db2.gz	OXEATGFVGIHULB-SNVBAGLBSA-N	-1	1	323.353	-1.153	20	0		DAADMM
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000765971613	663813080	/nfs/dbraw/zinc/81/30/80/663813080.db2.gz	AEQZHNVZPYDZNU-NXEZZACHSA-N	-1	1	308.338	-1.042	20	0		DAADMM
C[C@@H](O)C(=O)N1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC000766026472	663813825	/nfs/dbraw/zinc/81/38/25/663813825.db2.gz	PLONYWNCAQEVLJ-SNVBAGLBSA-N	-1	1	324.337	-2.022	20	0		DAADMM
C[C@H](O)C[C@H]1COCCN1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000766545294	663813855	/nfs/dbraw/zinc/81/38/55/663813855.db2.gz	XFKOPHOWLMLLEL-QWRGUYRKSA-N	-1	1	311.338	-1.075	20	0		DAADMM
CCOC1CC(O)(CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC000769705069	663815754	/nfs/dbraw/zinc/81/57/54/663815754.db2.gz	KEZNRCSOSKARKA-UHFFFAOYSA-N	-1	1	311.338	-1.027	20	0		DAADMM
NC(=O)CO[N-]C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O	ZINC000772949810	663819698	/nfs/dbraw/zinc/81/96/98/663819698.db2.gz	UWJSRMBMDUPBIG-UHFFFAOYSA-N	-1	1	318.289	-1.209	20	0		DAADMM
CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2cn[n-]n2)CC1	ZINC000805603338	663822784	/nfs/dbraw/zinc/82/27/84/663822784.db2.gz	MEESRADHYNMEPS-UHFFFAOYSA-N	-1	1	324.341	-1.806	20	0		DAADMM
CN1CCN(CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CC1=O	ZINC000780630551	663824693	/nfs/dbraw/zinc/82/46/93/663824693.db2.gz	IGYPCYGURKZBGJ-SECBINFHSA-N	-1	1	309.330	-2.126	20	0		DAADMM
O=C(CNS(=O)(=O)c1cccs1)NN1CC(=O)[N-]C1=O	ZINC000783568906	663827689	/nfs/dbraw/zinc/82/76/89/663827689.db2.gz	IWHXNAIFXDWSRV-UHFFFAOYSA-N	-1	1	318.336	-1.391	20	0		DAADMM
COCCOC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000786197679	663829501	/nfs/dbraw/zinc/82/95/01/663829501.db2.gz	MAVHBINOUUWWRU-UHFFFAOYSA-N	-1	1	306.296	-1.154	20	0		DAADMM
C[C@H](O)C[N@H+]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@H](C)C1	ZINC000793875638	663835322	/nfs/dbraw/zinc/83/53/22/663835322.db2.gz	UALBBLRAJSAABK-NEPJUHHUSA-N	-1	1	324.381	-1.160	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCOC[C@@]12CCOC2	ZINC000799764407	663839916	/nfs/dbraw/zinc/83/99/16/663839916.db2.gz	GOFGGIAISQSMPG-AWEZNQCLSA-N	-1	1	309.322	-1.055	20	0		DAADMM
NC(=O)CN1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@H]21	ZINC001036762827	663841951	/nfs/dbraw/zinc/84/19/51/663841951.db2.gz	POMNKUDARKCIJC-HTQZYQBOSA-N	-1	1	322.325	-1.696	20	0		DAADMM
Cn1[n-]c(COC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)nc1=O	ZINC000815270033	663852159	/nfs/dbraw/zinc/85/21/59/663852159.db2.gz	ZZADNMFAWMWYBL-ZETCQYMHSA-N	-1	1	319.343	-1.933	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NC(C)(CO)CO)n(C)c1=O	ZINC000822600369	663861681	/nfs/dbraw/zinc/86/16/81/663861681.db2.gz	MKVSLVCTNXFQDN-UHFFFAOYSA-N	-1	1	311.302	-2.581	20	0		DAADMM
CCC(CO)(CO)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1	ZINC000825119593	663864165	/nfs/dbraw/zinc/86/41/65/663864165.db2.gz	FJDJQLIJBFTHNJ-UHFFFAOYSA-N	-1	1	310.318	-1.145	20	0		DAADMM
CCC(CO)(CO)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1	ZINC000825119593	663864167	/nfs/dbraw/zinc/86/41/67/663864167.db2.gz	FJDJQLIJBFTHNJ-UHFFFAOYSA-N	-1	1	310.318	-1.145	20	0		DAADMM
CCOC(=O)[C@H](CO)NC(=O)Cc1noc(C)c1-c1nnn[n-]1	ZINC000825493465	663865145	/nfs/dbraw/zinc/86/51/45/663865145.db2.gz	LTNZOMRVWMIWQJ-QMMMGPOBSA-N	-1	1	324.297	-1.254	20	0		DAADMM
CCOC(=O)[C@H](CO)NC(=O)Cc1noc(C)c1-c1nn[n-]n1	ZINC000825493465	663865146	/nfs/dbraw/zinc/86/51/46/663865146.db2.gz	LTNZOMRVWMIWQJ-QMMMGPOBSA-N	-1	1	324.297	-1.254	20	0		DAADMM
CS[C@H](CO)[C@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000826225822	663866026	/nfs/dbraw/zinc/86/60/26/663866026.db2.gz	LTBFYENHGQROSZ-NKWVEPMBSA-N	-1	1	312.359	-1.313	20	0		DAADMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCSC[C@@H]1CCO	ZINC000826424738	663866162	/nfs/dbraw/zinc/86/61/62/663866162.db2.gz	APAZPIAIEMLOFR-QMMMGPOBSA-N	-1	1	324.370	-1.215	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CNC(=O)C2)n(C)c1=O	ZINC000826355943	663866291	/nfs/dbraw/zinc/86/62/91/663866291.db2.gz	UNLCOIXXNLFVAO-RXMQYKEDSA-N	-1	1	306.286	-2.436	20	0		DAADMM
Cn1cc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)nn1	ZINC000826361518	663866443	/nfs/dbraw/zinc/86/64/43/663866443.db2.gz	ALNMHQORRCTNJJ-UHFFFAOYSA-N	-1	1	318.301	-1.995	20	0		DAADMM
Cn1[n-]c(COC(=O)Cn2nc3n(c2=O)CCCC3)nc1=O	ZINC000845234299	663882931	/nfs/dbraw/zinc/88/29/31/663882931.db2.gz	LAUQDUUVYAFTAX-UHFFFAOYSA-N	-1	1	308.298	-1.454	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)CN(C)c1ncnc2[nH]cnc21	ZINC000846496381	663887117	/nfs/dbraw/zinc/88/71/17/663887117.db2.gz	DGMPNTHUXSTGLS-UHFFFAOYSA-N	-1	1	307.314	-1.027	20	0		DAADMM
CNC(=O)[C@H](O)C[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1	ZINC000851784930	663896974	/nfs/dbraw/zinc/89/69/74/663896974.db2.gz	XMQKGUZJBYLDGR-SSDOTTSWSA-N	-1	1	320.323	-1.240	20	0		DAADMM
COC[C@@H]([N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1)C(N)=O	ZINC000851775177	663897198	/nfs/dbraw/zinc/89/71/98/663897198.db2.gz	OERIMVQPTMSMIQ-PWSUYJOCSA-N	-1	1	324.399	-1.010	20	0		DAADMM
Cn1cc(N2C[C@@H](C(=O)NN3CC(=O)[N-]C3=O)CC2=O)cn1	ZINC000858544036	663910039	/nfs/dbraw/zinc/91/00/39/663910039.db2.gz	XZIGHQLXKOLKRE-ZETCQYMHSA-N	-1	1	306.282	-1.644	20	0		DAADMM
CCON(CC)C(=O)CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000862618469	663921001	/nfs/dbraw/zinc/92/10/01/663921001.db2.gz	DIBFHUNDOBYCBK-UHFFFAOYSA-N	-1	1	312.326	-1.157	20	0		DAADMM
CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@H]1COCCO1	ZINC000881803191	663957706	/nfs/dbraw/zinc/95/77/06/663957706.db2.gz	ZBDORIMQOKJLJA-QPFGOUBPSA-N	-1	1	301.390	-1.189	20	0		DAADMM
CNS(=O)(=O)CC[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000221088724	663974100	/nfs/dbraw/zinc/97/41/00/663974100.db2.gz	AVFKIOXANDALIU-UHFFFAOYSA-N	-1	1	316.792	-1.099	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)nc1=O	ZINC000949035928	664026625	/nfs/dbraw/zinc/02/66/25/664026625.db2.gz	XCTQWWLSPOZSMY-JTQLQIEISA-N	-1	1	322.369	-1.721	20	0		DAADMM
Cc1nc(CN2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)n[nH]1	ZINC000949111431	664028300	/nfs/dbraw/zinc/02/83/00/664028300.db2.gz	UNLAGSYWDFDVGP-UHFFFAOYSA-N	-1	1	320.313	-1.333	20	0		DAADMM
O=C(NC[C@@H]1CCN1C(=O)[C@@H]1CNC(=O)N1)c1ncccc1[O-]	ZINC000949538203	664037889	/nfs/dbraw/zinc/03/78/89/664037889.db2.gz	HNPXONGNRLMFLG-IUCAKERBSA-N	-1	1	319.321	-1.201	20	0		DAADMM
O=C(NC[C@H]1CCN1C(=O)[C@@H]1CNC(=O)N1)c1ncccc1[O-]	ZINC000949538201	664037952	/nfs/dbraw/zinc/03/79/52/664037952.db2.gz	HNPXONGNRLMFLG-BDAKNGLRSA-N	-1	1	319.321	-1.201	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@@H]3CCNC3=O)CC2)nc1=O	ZINC000949639385	664039233	/nfs/dbraw/zinc/03/92/33/664039233.db2.gz	NPWGFARZZRGFSA-SECBINFHSA-N	-1	1	308.342	-2.111	20	0		DAADMM
CCN(C(=O)c1n[nH]nc1C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000951108226	664071142	/nfs/dbraw/zinc/07/11/42/664071142.db2.gz	WCJOQZISMZIAAM-UHFFFAOYSA-N	-1	1	320.357	-1.119	20	0		DAADMM
NC(=O)C(=O)N1CC[C@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000951224801	664073228	/nfs/dbraw/zinc/07/32/28/664073228.db2.gz	NWVFBAWOWGMHKI-LURJTMIESA-N	-1	1	319.281	-2.766	20	0		DAADMM
NC(=O)C(=O)N1CC[C@@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000951224802	664073396	/nfs/dbraw/zinc/07/33/96/664073396.db2.gz	NWVFBAWOWGMHKI-ZCFIWIBFSA-N	-1	1	319.281	-2.766	20	0		DAADMM
CCN(C(=O)[C@H]1CNC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000951588983	664085288	/nfs/dbraw/zinc/08/52/88/664085288.db2.gz	PCUSCKFOJJFNBS-SECBINFHSA-N	-1	1	323.357	-2.178	20	0		DAADMM
CNC(=O)CN1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC000951777468	664094434	/nfs/dbraw/zinc/09/44/34/664094434.db2.gz	PHQORMQKNDOCFF-UHFFFAOYSA-N	-1	1	323.353	-2.183	20	0		DAADMM
O=C(NC[C@H]1CCN1C(=O)c1ncccc1[O-])[C@H]1CNC(=O)N1	ZINC000951878271	664102139	/nfs/dbraw/zinc/10/21/39/664102139.db2.gz	NHVPEOQCGKUNTH-RKDXNWHRSA-N	-1	1	319.321	-1.201	20	0		DAADMM
CN(C(=O)c1ccn[nH]1)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000953771187	664124865	/nfs/dbraw/zinc/12/48/65/664124865.db2.gz	DCTISRPTYBUUGM-UHFFFAOYSA-N	-1	1	319.281	-1.398	20	0		DAADMM
Cn1nncc1C(=O)N[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001007242760	664135432	/nfs/dbraw/zinc/13/54/32/664135432.db2.gz	ONRAJDJPZLJFRJ-VIFPVBQESA-N	-1	1	320.357	-1.369	20	0		DAADMM
CN(C(=O)Cn1ncnn1)C1CN(C(=O)c2ncccc2[O-])C1	ZINC000954352852	664146078	/nfs/dbraw/zinc/14/60/78/664146078.db2.gz	YMAIIOKASLETHW-UHFFFAOYSA-N	-1	1	317.309	-1.243	20	0		DAADMM
COCC(=O)N1CC(N(C)C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000954830013	664158259	/nfs/dbraw/zinc/15/82/59/664158259.db2.gz	FLKGEBBDMVVZCA-UHFFFAOYSA-N	-1	1	320.309	-1.653	20	0		DAADMM
Cn1cc(C(=O)N[C@H]2CCCN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001007255846	664200989	/nfs/dbraw/zinc/20/09/89/664200989.db2.gz	OJBJVLBVIBBKKT-VIFPVBQESA-N	-1	1	320.357	-1.369	20	0		DAADMM
CCN(C(=O)c1nc[nH]n1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000956976789	664205096	/nfs/dbraw/zinc/20/50/96/664205096.db2.gz	CMTPXSPZNKNKFM-UHFFFAOYSA-N	-1	1	306.330	-1.427	20	0		DAADMM
CCN(C(=O)[C@@H]1CCC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000957289837	664209018	/nfs/dbraw/zinc/20/90/18/664209018.db2.gz	GVZLDUILONCUHT-JTQLQIEISA-N	-1	1	322.369	-1.580	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@@H](CNC(=O)c3ccco3)C2)nc1=O	ZINC000957829935	664219761	/nfs/dbraw/zinc/21/97/61/664219761.db2.gz	DNEMOTFAJYASQT-VHSXEESVSA-N	-1	1	321.337	-1.076	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](CNC(=O)c3ccoc3)[C@H](O)C2)nc1=O	ZINC000957872229	664221573	/nfs/dbraw/zinc/22/15/73/664221573.db2.gz	ASILDFAPVSGMDZ-GHMZBOCLSA-N	-1	1	321.337	-1.076	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@@H](CNC(=O)C3CC=CC3)C2)nc1=O	ZINC000957943623	664227298	/nfs/dbraw/zinc/22/72/98/664227298.db2.gz	KBYWUUKSCIQFQY-NWDGAFQWSA-N	-1	1	321.381	-1.017	20	0		DAADMM
CNC(=O)CN1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](O)C1	ZINC000957992557	664229558	/nfs/dbraw/zinc/22/95/58/664229558.db2.gz	XRZAERHUIMOUIV-MWLCHTKSSA-N	-1	1	308.338	-1.444	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2=COCCO2)nc1=O	ZINC000958133692	664238923	/nfs/dbraw/zinc/23/89/23/664238923.db2.gz	IFYPNCWAIHQLKC-GDGBQDQQSA-N	-1	1	321.337	-1.457	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCO2)nc1=O	ZINC000958168186	664241162	/nfs/dbraw/zinc/24/11/62/664241162.db2.gz	DOVQYHCCTLSKQE-KLBPJQLPSA-N	-1	1	307.354	-1.166	20	0		DAADMM
Cn1cc(C(=O)N[C@@H]2[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]32)cn1	ZINC000958184568	664242867	/nfs/dbraw/zinc/24/28/67/664242867.db2.gz	DEZFLABEMQBFOP-IAZYJMLFSA-N	-1	1	317.353	-1.298	20	0		DAADMM
O=C(NC[C@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cnn[n-]1	ZINC000958207161	664247415	/nfs/dbraw/zinc/24/74/15/664247415.db2.gz	SKXIOTRZWLRHJQ-POYBYMJQSA-N	-1	1	308.302	-2.149	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnns2)nc1=O	ZINC000958320583	664257261	/nfs/dbraw/zinc/25/72/61/664257261.db2.gz	TVVQWCYRQRKTCH-MTBHXBHISA-N	-1	1	321.366	-1.180	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2cc[nH]n2)nc1=O	ZINC000958454837	664266983	/nfs/dbraw/zinc/26/69/83/664266983.db2.gz	VBKOGXVFJQYHGF-IWIIMEHWSA-N	-1	1	317.353	-1.379	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cncnc2)nc1=O	ZINC000958643089	664283137	/nfs/dbraw/zinc/28/31/37/664283137.db2.gz	VYNLSLUSSXQTSB-IAZYJMLFSA-N	-1	1	315.337	-1.241	20	0		DAADMM
CN(C)C(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000960811104	664324721	/nfs/dbraw/zinc/32/47/21/664324721.db2.gz	TULRVTICFVFXBJ-QMSLJYSESA-N	-1	1	322.325	-1.969	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@@H]1CCCN1C(=O)c1nc[nH]n1	ZINC000960924511	664328219	/nfs/dbraw/zinc/32/82/19/664328219.db2.gz	QIJHCBDAWPVEJK-VIFPVBQESA-N	-1	1	320.357	-1.037	20	0		DAADMM
CCC(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@@H]1O	ZINC000961043341	664329491	/nfs/dbraw/zinc/32/94/91/664329491.db2.gz	ZYENBMJDGHNFDX-ZJUUUORDSA-N	-1	1	324.337	-1.975	20	0		DAADMM
CCC(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@@H]1O	ZINC000961039028	664329675	/nfs/dbraw/zinc/32/96/75/664329675.db2.gz	DABPXTMGZRIFIP-BDAKNGLRSA-N	-1	1	320.309	-1.871	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnco2)nc1=O	ZINC000961395820	664338605	/nfs/dbraw/zinc/33/86/05/664338605.db2.gz	NOMMBIUZLZRCJE-VROVMSAKSA-N	-1	1	304.310	-1.043	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2n[nH]cc2F)nc1=O	ZINC000961705843	664353023	/nfs/dbraw/zinc/35/30/23/664353023.db2.gz	BTSOFCJIJPQNJB-MTBHXBHISA-N	-1	1	321.316	-1.169	20	0		DAADMM
Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccn[nH]3)C[C@@H]2O)c1[O-]	ZINC000962303630	664373097	/nfs/dbraw/zinc/37/30/97/664373097.db2.gz	NXYZHXOLZGBFAJ-BDAKNGLRSA-N	-1	1	320.309	-1.238	20	0		DAADMM
CNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC000962408959	664374921	/nfs/dbraw/zinc/37/49/21/664374921.db2.gz	SFBWLXSUVBUQOS-ODXREFDESA-N	-1	1	324.341	-2.130	20	0		DAADMM
O=C(N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O)c1ncccc1[O-]	ZINC000962437224	664375998	/nfs/dbraw/zinc/37/59/98/664375998.db2.gz	QWQNONRGQZJZSO-SCZZXKLOSA-N	-1	1	318.293	-1.479	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)NC1CC(CNCc2cnon2)C1	ZINC000962603289	664380319	/nfs/dbraw/zinc/38/03/19/664380319.db2.gz	RCXDTXYTMQNSHR-UHFFFAOYSA-N	-1	1	323.313	-1.243	20	0		DAADMM
O=C(CN1CN=NC1=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000968454018	664478041	/nfs/dbraw/zinc/47/80/41/664478041.db2.gz	WSBUKFCDZPWKEQ-SSDOTTSWSA-N	-1	1	308.302	-1.802	20	0		DAADMM
CO[C@@H](C(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1)C1CC1	ZINC000968694285	664482410	/nfs/dbraw/zinc/48/24/10/664482410.db2.gz	FEMFQFQNADGYML-OUAUKWLOSA-N	-1	1	309.326	-1.469	20	0		DAADMM
O=C(N[C@@H]1CN(C(=O)[C@@H]2CCCOCC2)C[C@@H]1O)c1cnn[nH]1	ZINC000968694230	664482458	/nfs/dbraw/zinc/48/24/58/664482458.db2.gz	CLYYPYMMQLXZKJ-JLLWLGSASA-N	-1	1	323.353	-1.077	20	0		DAADMM
O=C(N[C@@H]1CN(C(=O)[C@H]2CCCOCC2)C[C@@H]1O)c1cnn[nH]1	ZINC000968694231	664482724	/nfs/dbraw/zinc/48/27/24/664482724.db2.gz	CLYYPYMMQLXZKJ-WCQGTBRESA-N	-1	1	323.353	-1.077	20	0		DAADMM
CCOC1CC(C(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)C1	ZINC000968694225	664482744	/nfs/dbraw/zinc/48/27/44/664482744.db2.gz	CEPOYSVYXUPIJH-FZOPHOIVSA-N	-1	1	323.353	-1.079	20	0		DAADMM
O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000968952338	664488560	/nfs/dbraw/zinc/48/85/60/664488560.db2.gz	GVOHAKSDKNGPMG-RQJHMYQMSA-N	-1	1	323.313	-2.201	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)nc1=O	ZINC001007258522	664494297	/nfs/dbraw/zinc/49/42/97/664494297.db2.gz	KHVZBAKDJFTPJJ-DTWKUNHWSA-N	-1	1	324.341	-1.703	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H](NC(=O)Cn3ncnn3)C2)nc1=O	ZINC001007339080	664494668	/nfs/dbraw/zinc/49/46/68/664494668.db2.gz	OYMABKZICUCMEL-VIFPVBQESA-N	-1	1	321.345	-2.124	20	0		DAADMM
CC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@H]21	ZINC001008662167	664503773	/nfs/dbraw/zinc/50/37/73/664503773.db2.gz	SSYJJOOTDAUQAW-OWUUHHOZSA-N	-1	1	316.321	-1.128	20	0		DAADMM
O=C(Cc1nnc[nH]1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001009129337	664505678	/nfs/dbraw/zinc/50/56/78/664505678.db2.gz	FCHQFQNWJLKVMC-MRVPVSSYSA-N	-1	1	306.330	-1.048	20	0		DAADMM
C[C@H](NC(=O)c1ncccc1[O-])[C@@H]1CN(C(=O)C(N)=O)CCO1	ZINC001009750391	664511259	/nfs/dbraw/zinc/51/12/59/664511259.db2.gz	WBEUNQRYBPBZAE-WPRPVWTQSA-N	-1	1	322.321	-1.382	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3cc[n+]([O-])cc3)C2)nc1=O	ZINC001010025630	664512344	/nfs/dbraw/zinc/51/23/44/664512344.db2.gz	CXSCNFDPQGNQEG-LLVKDONJSA-N	-1	1	318.337	-1.254	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)Cn3cnnn3)C2)nc1=O	ZINC001010103350	664512587	/nfs/dbraw/zinc/51/25/87/664512587.db2.gz	DWZOUBLPBZLJIB-MRVPVSSYSA-N	-1	1	307.318	-2.514	20	0		DAADMM
Cn1cc(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC001010114827	664513301	/nfs/dbraw/zinc/51/33/01/664513301.db2.gz	GUSLKZRAHBDUME-JTQLQIEISA-N	-1	1	305.342	-1.154	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3nccnc3N)C2)nc1=O	ZINC001010388941	664515220	/nfs/dbraw/zinc/51/52/20/664515220.db2.gz	DQICRFPSYFMMRE-QMMMGPOBSA-N	-1	1	318.341	-1.515	20	0		DAADMM
O=C(c1ccn[nH]1)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001010413605	664515247	/nfs/dbraw/zinc/51/52/47/664515247.db2.gz	FRJGKELDOJVEPF-UHFFFAOYSA-N	-1	1	319.281	-1.396	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3nccnc3N)C2)nc1=O	ZINC001010388940	664515449	/nfs/dbraw/zinc/51/54/49/664515449.db2.gz	DQICRFPSYFMMRE-MRVPVSSYSA-N	-1	1	318.341	-1.515	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@H]3CN(C)CCO3)C2)nc1=O	ZINC001010429824	664515518	/nfs/dbraw/zinc/51/55/18/664515518.db2.gz	WKAOUGXCQACUKL-WDEREUQCSA-N	-1	1	324.385	-1.871	20	0		DAADMM
Cc1c(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)nnn1C	ZINC001010418623	664515635	/nfs/dbraw/zinc/51/56/35/664515635.db2.gz	MYFXNHQRHPZAOR-SECBINFHSA-N	-1	1	320.357	-1.450	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@H]3CN(C)CCO3)C2)nc1=O	ZINC001010429820	664515759	/nfs/dbraw/zinc/51/57/59/664515759.db2.gz	WKAOUGXCQACUKL-GHMZBOCLSA-N	-1	1	324.385	-1.871	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)C[C@@H]3COC(=O)C3)C2)nc1=O	ZINC001010570345	664516813	/nfs/dbraw/zinc/51/68/13/664516813.db2.gz	LBUPMCKYPMASPB-UWVGGRQHSA-N	-1	1	323.353	-1.248	20	0		DAADMM
C[C@@H](C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1)n1cncn1	ZINC001010684418	664517854	/nfs/dbraw/zinc/51/78/54/664517854.db2.gz	SWYCRFXJCAQPDA-VHSXEESVSA-N	-1	1	320.357	-1.348	20	0		DAADMM
CC(=O)N1CC(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)C1	ZINC001010756130	664519337	/nfs/dbraw/zinc/51/93/37/664519337.db2.gz	XEQKUOPZQAIOOB-LLVKDONJSA-N	-1	1	322.369	-1.723	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)Cc3cncnc3)C2)nc1=O	ZINC001010801263	664519588	/nfs/dbraw/zinc/51/95/88/664519588.db2.gz	PKTJNFIHAFOELN-LLVKDONJSA-N	-1	1	317.353	-1.168	20	0		DAADMM
Cn1nncc1C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001010822417	664520418	/nfs/dbraw/zinc/52/04/18/664520418.db2.gz	KTJIVKAXCQXMPB-MRVPVSSYSA-N	-1	1	306.330	-1.759	20	0		DAADMM
Cn1cc(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001010854819	664520783	/nfs/dbraw/zinc/52/07/83/664520783.db2.gz	UELDFOXAAGXGMF-QMMMGPOBSA-N	-1	1	306.330	-1.759	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)nc1=O	ZINC001010843024	664521144	/nfs/dbraw/zinc/52/11/44/664521144.db2.gz	QJMTWEJSNVCVST-HTQZYQBOSA-N	-1	1	310.314	-2.093	20	0		DAADMM
NC(=O)C(=O)N1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC001011557244	664531402	/nfs/dbraw/zinc/53/14/02/664531402.db2.gz	LNIONLJEZZXYFI-UHFFFAOYSA-N	-1	1	323.309	-2.917	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@]34C[C@H]3COC4)C2)nc1=O	ZINC001014506093	664555304	/nfs/dbraw/zinc/55/53/04/664555304.db2.gz	SCZAHGVUQUNXAT-RBZYPMLTSA-N	-1	1	307.354	-1.165	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)nc1=O	ZINC001014711466	664556721	/nfs/dbraw/zinc/55/67/21/664556721.db2.gz	NXGTVOUYNRYPPD-UWVGGRQHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@H]3CCCNC3=O)C2)nc1=O	ZINC001014813004	664558071	/nfs/dbraw/zinc/55/80/71/664558071.db2.gz	XIZTYDRHWJJMMS-ZJUUUORDSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3cnc[nH]c3=O)C2)nc1=O	ZINC001014868669	664558107	/nfs/dbraw/zinc/55/81/07/664558107.db2.gz	KYEQZMOBNVINCV-MRVPVSSYSA-N	-1	1	319.325	-1.392	20	0		DAADMM
Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001014835446	664558189	/nfs/dbraw/zinc/55/81/89/664558189.db2.gz	YIPIDTFZBHEVOZ-QMMMGPOBSA-N	-1	1	321.341	-1.150	20	0		DAADMM
Cn1cncc1C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001015134715	664560991	/nfs/dbraw/zinc/56/09/91/664560991.db2.gz	AOWXNDZMPCYBCG-SECBINFHSA-N	-1	1	305.342	-1.154	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)nc1=O	ZINC001015504334	664563409	/nfs/dbraw/zinc/56/34/09/664563409.db2.gz	ORQKGIGBFQACJY-IUCAKERBSA-N	-1	1	308.342	-2.065	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)Cc3ncc[nH]3)C2)nc1=O	ZINC001015901772	664569482	/nfs/dbraw/zinc/56/94/82/664569482.db2.gz	ACQUBMWWTYFYTC-VIFPVBQESA-N	-1	1	305.342	-1.235	20	0		DAADMM
Cc1nonc1CC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001015925071	664570121	/nfs/dbraw/zinc/57/01/21/664570121.db2.gz	ZBHZUIPOBPVMAD-VIFPVBQESA-N	-1	1	321.341	-1.267	20	0		DAADMM
CNC(=O)CN1CC[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001015989067	664570393	/nfs/dbraw/zinc/57/03/93/664570393.db2.gz	LIEQDQMYBSDZTO-MRVPVSSYSA-N	-1	1	319.325	-2.032	20	0		DAADMM
Cn1cncc1CC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001015999569	664570719	/nfs/dbraw/zinc/57/07/19/664570719.db2.gz	VQTJDUKHUNNLOB-JTQLQIEISA-N	-1	1	319.369	-1.225	20	0		DAADMM
C[C@H](C(N)=O)N1CC[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001015991941	664570818	/nfs/dbraw/zinc/57/08/18/664570818.db2.gz	IGNQYCANGJNURL-SFYZADRCSA-N	-1	1	319.325	-1.905	20	0		DAADMM
Cn1ccc(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001016254105	664572974	/nfs/dbraw/zinc/57/29/74/664572974.db2.gz	RKTHMTBUQXDOHU-VIFPVBQESA-N	-1	1	305.342	-1.154	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3CC[C@@H](C2)N3C(=O)c2cn[nH]n2)nc1=O	ZINC001017696173	664582755	/nfs/dbraw/zinc/58/27/55/664582755.db2.gz	ITVGXLLYJIXGPU-DTORHVGOSA-N	-1	1	318.341	-1.285	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3CC[C@@H](C2)N3C(=O)c2cnon2)nc1=O	ZINC001018082996	664584724	/nfs/dbraw/zinc/58/47/24/664584724.db2.gz	JLSHEIVRACCMOC-DTORHVGOSA-N	-1	1	319.325	-1.020	20	0		DAADMM
O=C(CN1CCCC1=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001018484981	664587530	/nfs/dbraw/zinc/58/75/30/664587530.db2.gz	BLDSMPIGVRPAQH-VIFPVBQESA-N	-1	1	308.342	-1.177	20	0		DAADMM
O=C(C[C@@H]1CCNC1=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001018960567	664592167	/nfs/dbraw/zinc/59/21/67/664592167.db2.gz	UZAWIEAPDTUOGL-IUCAKERBSA-N	-1	1	308.342	-1.273	20	0		DAADMM
O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001018983718	664592434	/nfs/dbraw/zinc/59/24/34/664592434.db2.gz	GVOHAKSDKNGPMG-BQBZGAKWSA-N	-1	1	323.313	-2.201	20	0		DAADMM
NC(=O)C(=O)N1CCCO[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC001019573614	664603203	/nfs/dbraw/zinc/60/32/03/664603203.db2.gz	LDJVFOZJQQYIHM-VIFPVBQESA-N	-1	1	322.321	-1.380	20	0		DAADMM
NC(=O)c1cc(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)c[nH]1	ZINC001019779086	664604515	/nfs/dbraw/zinc/60/45/15/664604515.db2.gz	LENWCQKODPAKDX-QMMMGPOBSA-N	-1	1	319.325	-1.058	20	0		DAADMM
NC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019876097	664605790	/nfs/dbraw/zinc/60/57/90/664605790.db2.gz	SDWTZKHKDBXFDB-IUCAKERBSA-N	-1	1	323.357	-1.256	20	0		DAADMM
CC(=O)N1CC(C(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)C1	ZINC001038191346	664612047	/nfs/dbraw/zinc/61/20/47/664612047.db2.gz	HUQQWJBHXUKAIO-LLVKDONJSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CC(=O)N1CC(C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)C1	ZINC001038191347	664612360	/nfs/dbraw/zinc/61/23/60/664612360.db2.gz	HUQQWJBHXUKAIO-NSHDSACASA-N	-1	1	322.369	-1.723	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@H]2CCC(=O)NC2)nc1=O	ZINC001038452785	664613259	/nfs/dbraw/zinc/61/32/59/664613259.db2.gz	SGBFJIFLZMZAOX-UWVGGRQHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cc1nc(CN2CC[C@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)n[nH]1	ZINC001038465951	664613523	/nfs/dbraw/zinc/61/35/23/664613523.db2.gz	ORMJEXGLNQGMDT-ZETCQYMHSA-N	-1	1	320.313	-1.286	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)c2n[nH]cc2F)nc1=O	ZINC001038671710	664616119	/nfs/dbraw/zinc/61/61/19/664616119.db2.gz	WFJMADOOZPGXEY-ZETCQYMHSA-N	-1	1	309.305	-1.025	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)nc1=O	ZINC001038704869	664616423	/nfs/dbraw/zinc/61/64/23/664616423.db2.gz	SDOBDNAPCMLBPJ-YIZRAAEISA-N	-1	1	308.342	-2.080	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)c2ncccn2)nc1=O	ZINC001038839172	664617421	/nfs/dbraw/zinc/61/74/21/664617421.db2.gz	XCTAEOMYBNEUTM-VIFPVBQESA-N	-1	1	303.326	-1.097	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)c2ncccn2)nc1=O	ZINC001038839169	664617748	/nfs/dbraw/zinc/61/77/48/664617748.db2.gz	XCTAEOMYBNEUTM-SECBINFHSA-N	-1	1	303.326	-1.097	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3cc(F)c[nH]3)[C@@H](O)C2)nc1=O	ZINC001083650744	677816647	/nfs/dbraw/zinc/81/66/47/677816647.db2.gz	LMFOQXVZPDLRAW-ZJUUUORDSA-N	-1	1	324.316	-1.449	20	0		DAADMM
CCN(C)C(=O)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC	ZINC000912548828	677818569	/nfs/dbraw/zinc/81/85/69/677818569.db2.gz	YOEIIBRJMHQZIY-UHFFFAOYSA-N	-1	1	304.328	-1.047	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C1CN(C(=O)OC)C1	ZINC000912549100	677818605	/nfs/dbraw/zinc/81/86/05/677818605.db2.gz	CUPJWWOTHYASDO-UHFFFAOYSA-N	-1	1	318.311	-1.075	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H](O)C(=O)OC	ZINC000912542208	677818693	/nfs/dbraw/zinc/81/86/93/677818693.db2.gz	MVNGJEIAJDKRQJ-LURJTMIESA-N	-1	1	307.284	-1.992	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)Cn1nccn1	ZINC001079773839	678026562	/nfs/dbraw/zinc/02/65/62/678026562.db2.gz	ATDFZPWULSIPKU-NXEZZACHSA-N	-1	1	320.357	-1.663	20	0		DAADMM
CC[C@@H](C(N)=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001080049786	678030562	/nfs/dbraw/zinc/03/05/62/678030562.db2.gz	OVZHGFCAJACQBY-PRJMDXOYSA-N	-1	1	324.341	-1.403	20	0		DAADMM
COCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001081178421	678053663	/nfs/dbraw/zinc/05/36/63/678053663.db2.gz	NGUCATQBXRMJAT-KOLCDFICSA-N	-1	1	309.322	-1.017	20	0		DAADMM
Cn1cnn(CC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c1=O	ZINC000831133759	678139081	/nfs/dbraw/zinc/13/90/81/678139081.db2.gz	CUQKNEISVMDXFG-UHFFFAOYSA-N	-1	1	321.259	-1.281	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC(O)(CNC(C)=O)C1	ZINC001041048018	678144095	/nfs/dbraw/zinc/14/40/95/678144095.db2.gz	VSVSXAWGANSMFH-UHFFFAOYSA-N	-1	1	312.282	-1.781	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3cnccn3)[C@@H](O)C2)nc1=O	ZINC001083315937	677687978	/nfs/dbraw/zinc/68/79/78/677687978.db2.gz	CFIRVGQYLHMBLJ-ZJUUUORDSA-N	-1	1	319.325	-2.127	20	0		DAADMM
Cn1cnc(C(=O)NC[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001028521884	677690340	/nfs/dbraw/zinc/69/03/40/677690340.db2.gz	NADVWNGNCLKOOO-VIFPVBQESA-N	-1	1	320.357	-1.511	20	0		DAADMM
Cn1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)cn1	ZINC001083331961	677690690	/nfs/dbraw/zinc/69/06/90/677690690.db2.gz	HFUJYFHIPDCWSN-ZJUUUORDSA-N	-1	1	321.341	-2.183	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3cscn3)[C@@H](O)C2)nc1=O	ZINC001083364826	677691805	/nfs/dbraw/zinc/69/18/05/677691805.db2.gz	IPCQESZSBRZOPX-APPZFPTMSA-N	-1	1	324.366	-1.460	20	0		DAADMM
CN1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001083372488	677692166	/nfs/dbraw/zinc/69/21/66/677692166.db2.gz	SPPYAXIRZLSKDQ-BBBLOLIVSA-N	-1	1	310.358	-1.734	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)nc1=O	ZINC001028734601	677693830	/nfs/dbraw/zinc/69/38/30/677693830.db2.gz	BDVUYJQDENFHDI-NXEZZACHSA-N	-1	1	322.369	-1.817	20	0		DAADMM
Cn1nnnc1CN1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC001083420915	677699986	/nfs/dbraw/zinc/69/99/86/677699986.db2.gz	AUWWOCYSJDLXHG-SCZZXKLOSA-N	-1	1	319.325	-1.714	20	0		DAADMM
Cn1cnnc1CN1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC001083423437	677700798	/nfs/dbraw/zinc/70/07/98/677700798.db2.gz	VYXNYHXWUURMHD-KOLCDFICSA-N	-1	1	318.337	-1.109	20	0		DAADMM
CN1CC[C@@H](N2C[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)C1=O	ZINC001083423816	677700821	/nfs/dbraw/zinc/70/08/21/677700821.db2.gz	NWBNAVGUWSEXDW-FOGDFJRCSA-N	-1	1	320.349	-1.207	20	0		DAADMM
O=C(N[C@@H]1CN(CCn2cncn2)C[C@@H]1O)c1ncccc1[O-]	ZINC001083423696	677700935	/nfs/dbraw/zinc/70/09/35/677700935.db2.gz	IBQGBYVFZNLCHV-PWSUYJOCSA-N	-1	1	318.337	-1.146	20	0		DAADMM
O=C(CN1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1)NC1CC1	ZINC001083423100	677700957	/nfs/dbraw/zinc/70/09/57/677700957.db2.gz	DVBZSPNNZDYUKF-PWSUYJOCSA-N	-1	1	320.349	-1.159	20	0		DAADMM
Cn1cc(CN2C[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)nn1	ZINC001083423153	677701006	/nfs/dbraw/zinc/70/10/06/677701006.db2.gz	HJVSBSWJKKOROP-PWSUYJOCSA-N	-1	1	318.337	-1.109	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)Cc3ccoc3)[C@@H](O)C2)nc1=O	ZINC001083424287	677702111	/nfs/dbraw/zinc/70/21/11/677702111.db2.gz	KMQHCKOZZCTPGD-MNOVXSKESA-N	-1	1	321.337	-1.395	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)Cc1nnc[nH]1	ZINC000987329373	677707296	/nfs/dbraw/zinc/70/72/96/677707296.db2.gz	NEKDNLXHUVGVEN-YUMQZZPRSA-N	-1	1	306.330	-1.050	20	0		DAADMM
Cc1c(C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)nnn1C	ZINC001038128763	677709076	/nfs/dbraw/zinc/70/90/76/677709076.db2.gz	SXKLBQINWOEPPG-VIFPVBQESA-N	-1	1	320.357	-1.450	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)[C@H]3CC3(F)F)[C@@H](O)C2)nc1=O	ZINC001083448633	677716682	/nfs/dbraw/zinc/71/66/82/677716682.db2.gz	QHPFUUCMXXOOSX-PRJMDXOYSA-N	-1	1	317.296	-1.575	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)nc1=O	ZINC001083462461	677718977	/nfs/dbraw/zinc/71/89/77/677718977.db2.gz	KUYDARKJQIKTQI-SFYZADRCSA-N	-1	1	323.317	-3.544	20	0		DAADMM
O=C(Cn1cnnn1)NC1CN(C(=O)c2ncccc2[O-])C1	ZINC000990179938	677721689	/nfs/dbraw/zinc/72/16/89/677721689.db2.gz	CIAUFIKSMYKVCW-UHFFFAOYSA-N	-1	1	303.282	-1.586	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3cc[nH]c3)[C@@H](O)C2)nc1=O	ZINC001083479195	677725281	/nfs/dbraw/zinc/72/52/81/677725281.db2.gz	ZPOXMVJUDQMCRV-ZJUUUORDSA-N	-1	1	306.326	-1.588	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)c4cnon4)[C@@H]3C2)nc1=O	ZINC001076379727	677741341	/nfs/dbraw/zinc/74/13/41/677741341.db2.gz	VNPZPRZLEDUMLA-WCBMZHEXSA-N	-1	1	319.325	-1.162	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3ccncc3)C2)nc1=O	ZINC001076680240	677749067	/nfs/dbraw/zinc/74/90/67/677749067.db2.gz	ZMQBNPYAAFVYPQ-GHMZBOCLSA-N	-1	1	318.337	-1.522	20	0		DAADMM
Cc1cc(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)[nH]n1	ZINC001076870118	677763381	/nfs/dbraw/zinc/76/33/81/677763381.db2.gz	KIXDQGTZZAXXBL-NXEZZACHSA-N	-1	1	321.341	-1.554	20	0		DAADMM
O=C(CN1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1)N1CCC1	ZINC001076916465	677769217	/nfs/dbraw/zinc/76/92/17/677769217.db2.gz	LZZPXFBNBULYPT-ZYHUDNBSSA-N	-1	1	320.349	-1.206	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)Cc3ccoc3)C2)nc1=O	ZINC001076919393	677769324	/nfs/dbraw/zinc/76/93/24/677769324.db2.gz	KMQHCKOZZCTPGD-GHMZBOCLSA-N	-1	1	321.337	-1.395	20	0		DAADMM
O=C(CN1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1)NC1CC1	ZINC001076916839	677769446	/nfs/dbraw/zinc/76/94/46/677769446.db2.gz	DVBZSPNNZDYUKF-ZYHUDNBSSA-N	-1	1	320.349	-1.159	20	0		DAADMM
CC[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001076917208	677769661	/nfs/dbraw/zinc/76/96/61/677769661.db2.gz	VWHAJVFVLURMCQ-WCABBAIRSA-N	-1	1	308.338	-1.174	20	0		DAADMM
Cn1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)nn1	ZINC001076959546	677773333	/nfs/dbraw/zinc/77/33/33/677773333.db2.gz	NGDXVJRSHIPWKG-VXNVDRBHSA-N	-1	1	322.329	-2.788	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC3(F)F)C2)nc1=O	ZINC001076969314	677774955	/nfs/dbraw/zinc/77/49/55/677774955.db2.gz	QHPFUUCMXXOOSX-BWZBUEFSSA-N	-1	1	317.296	-1.575	20	0		DAADMM
Cc1nc(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)n[nH]1	ZINC001076980502	677776096	/nfs/dbraw/zinc/77/60/96/677776096.db2.gz	HYRDQPQJYVTPFB-HTQZYQBOSA-N	-1	1	322.329	-2.159	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3ncc[nH]3)C2)nc1=O	ZINC001076972466	677776182	/nfs/dbraw/zinc/77/61/82/677776182.db2.gz	FMHQANKUGOPPAG-HTQZYQBOSA-N	-1	1	307.314	-2.193	20	0		DAADMM
C[C@H](F)CCN1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001077310867	677798917	/nfs/dbraw/zinc/79/89/17/677798917.db2.gz	GAPVPFHEQZMRBH-XLPZGREQSA-N	-1	1	315.305	-1.194	20	0		DAADMM
C[C@H](F)CCN1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1	ZINC001083606584	677810645	/nfs/dbraw/zinc/81/06/45/677810645.db2.gz	GAPVPFHEQZMRBH-RNJXMRFFSA-N	-1	1	315.305	-1.194	20	0		DAADMM
COC[C@@H](C)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1	ZINC001083608162	677810842	/nfs/dbraw/zinc/81/08/42/677810842.db2.gz	IFDDJTGFNUBLBJ-PRJMDXOYSA-N	-1	1	313.314	-1.907	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3cnco3)C2)nc1=O	ZINC001077473902	677830437	/nfs/dbraw/zinc/83/04/37/677830437.db2.gz	OYXZDKCTJPSNMG-HTQZYQBOSA-N	-1	1	308.298	-1.929	20	0		DAADMM
C[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1	ZINC001077498363	677832837	/nfs/dbraw/zinc/83/28/37/677832837.db2.gz	GLWXPARSYNRPHS-SZEHBUNVSA-N	-1	1	312.326	-2.358	20	0		DAADMM
COCCN1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](O)C1	ZINC001083693403	677837215	/nfs/dbraw/zinc/83/72/15/677837215.db2.gz	HHYGMHPMHSLAKK-ZJUUUORDSA-N	-1	1	312.326	-2.093	20	0		DAADMM
CN1CC(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)=NC1=O	ZINC001083752315	677856559	/nfs/dbraw/zinc/85/65/59/677856559.db2.gz	OPAVPTOJJUVMKS-SVRRBLITSA-N	-1	1	323.313	-2.076	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)Cc3cnoc3)C2)nc1=O	ZINC001077555349	677858033	/nfs/dbraw/zinc/85/80/33/677858033.db2.gz	KQNIRXPTHZNCFA-NXEZZACHSA-N	-1	1	322.325	-2.000	20	0		DAADMM
C[C@@H]1CCCN1CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001083778465	677862324	/nfs/dbraw/zinc/86/23/24/677862324.db2.gz	NRBYUOBTMLJHJR-MXWKQRLJSA-N	-1	1	324.385	-1.344	20	0		DAADMM
C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)c1ncn[nH]1	ZINC001077578147	677862895	/nfs/dbraw/zinc/86/28/95/677862895.db2.gz	OAXVNXMMRBRGLH-YFKPBYRVSA-N	-1	1	322.285	-1.661	20	0		DAADMM
C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)c1nc[nH]n1	ZINC001077578147	677862902	/nfs/dbraw/zinc/86/29/02/677862902.db2.gz	OAXVNXMMRBRGLH-YFKPBYRVSA-N	-1	1	322.285	-1.661	20	0		DAADMM
CC(=O)NC[C@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)CCO1	ZINC000944429182	677864130	/nfs/dbraw/zinc/86/41/30/677864130.db2.gz	SNWUPGOOWUBQTH-VIFPVBQESA-N	-1	1	320.309	-1.605	20	0		DAADMM
CN1CC(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)=NC1=O	ZINC001077625053	677869542	/nfs/dbraw/zinc/86/95/42/677869542.db2.gz	OPAVPTOJJUVMKS-HTRCEHHLSA-N	-1	1	323.313	-2.076	20	0		DAADMM
C[C@H]1CCCN1CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O	ZINC001077675452	677873201	/nfs/dbraw/zinc/87/32/01/677873201.db2.gz	NRBYUOBTMLJHJR-HBNTYKKESA-N	-1	1	324.385	-1.344	20	0		DAADMM
C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)c1ncn[nH]1	ZINC001077680978	677873578	/nfs/dbraw/zinc/87/35/78/677873578.db2.gz	FVPQWDBLYZBEAA-LURJTMIESA-N	-1	1	324.301	-1.868	20	0		DAADMM
C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)c1nc[nH]n1	ZINC001077680978	677873581	/nfs/dbraw/zinc/87/35/81/677873581.db2.gz	FVPQWDBLYZBEAA-LURJTMIESA-N	-1	1	324.301	-1.868	20	0		DAADMM
C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)NC(=O)c1cnn[nH]1	ZINC001077681023	677873949	/nfs/dbraw/zinc/87/39/49/677873949.db2.gz	HHAUKLWCORPFGB-LURJTMIESA-N	-1	1	324.301	-1.868	20	0		DAADMM
NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1	ZINC001077792554	677881686	/nfs/dbraw/zinc/88/16/86/677881686.db2.gz	OHELJECALPOWSF-NXEZZACHSA-N	-1	1	321.337	-1.680	20	0		DAADMM
O=C([C@@H]1CCNC1=O)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000999893222	677892363	/nfs/dbraw/zinc/89/23/63/677892363.db2.gz	HOTJTVNIDUVXPS-RKDXNWHRSA-N	-1	1	308.342	-1.273	20	0		DAADMM
CN1C[C@@H](C(=O)N2CCC[C@H](NCc3n[nH]c(=O)[n-]3)C2)NC1=O	ZINC000999890935	677892461	/nfs/dbraw/zinc/89/24/61/677892461.db2.gz	OOQDFWQTDXNCBC-IUCAKERBSA-N	-1	1	323.357	-1.386	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3cnon3)C2)nc1=O	ZINC001077872322	677895315	/nfs/dbraw/zinc/89/53/15/677895315.db2.gz	LPVUKJTVOAZRCX-HTQZYQBOSA-N	-1	1	309.286	-2.534	20	0		DAADMM
Cc1cnoc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001077934681	677899613	/nfs/dbraw/zinc/89/96/13/677899613.db2.gz	RGOZTKKQXLQHNO-RKDXNWHRSA-N	-1	1	322.325	-1.620	20	0		DAADMM
O=C(c1cn[nH]n1)N1CCCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001078424430	677925164	/nfs/dbraw/zinc/92/51/64/677925164.db2.gz	UCHZYDWRLFLSDH-QMMMGPOBSA-N	-1	1	322.329	-1.351	20	0		DAADMM
O=C(c1nc[nH]n1)N1CCCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001078487294	677926371	/nfs/dbraw/zinc/92/63/71/677926371.db2.gz	HXMJTJSMBCTIPP-QMMMGPOBSA-N	-1	1	322.329	-1.351	20	0		DAADMM
NC(=O)C(=O)NC[C@H]1COCCN1C(=O)c1ncccc1[O-]	ZINC001061841852	677970181	/nfs/dbraw/zinc/97/01/81/677970181.db2.gz	JDSKAGPLNNAUKP-QMMMGPOBSA-N	-1	1	308.294	-1.770	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1ncn(C)n1	ZINC001079659840	678024742	/nfs/dbraw/zinc/02/47/42/678024742.db2.gz	NOMCXVOHVPCNFD-RKDXNWHRSA-N	-1	1	320.357	-1.513	20	0		DAADMM
Cc1nn[nH]c1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C	ZINC001080246797	678032750	/nfs/dbraw/zinc/03/27/50/678032750.db2.gz	HNOMTNURSFJTKA-VXNVDRBHSA-N	-1	1	320.357	-1.215	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1CCNC1=O	ZINC001080259698	678032824	/nfs/dbraw/zinc/03/28/24/678032824.db2.gz	JBMXLQPVVIBIKQ-KXUCPTDWSA-N	-1	1	322.369	-1.819	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC001080292120	678033971	/nfs/dbraw/zinc/03/39/71/678033971.db2.gz	CSIRNXUBNFZAGA-HMUNZLOLSA-N	-1	1	321.381	-1.063	20	0		DAADMM
CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001081601391	678090027	/nfs/dbraw/zinc/09/00/27/678090027.db2.gz	QPMSYWBGTFODAH-WDEREUQCSA-N	-1	1	324.337	-2.118	20	0		DAADMM
CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1ncc[nH]1	ZINC001081644040	678094655	/nfs/dbraw/zinc/09/46/55/678094655.db2.gz	KDYNXURAHMSQPT-RKDXNWHRSA-N	-1	1	321.341	-1.539	20	0		DAADMM
NC(=O)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC001081713499	678097387	/nfs/dbraw/zinc/09/73/87/678097387.db2.gz	LSFCMIDPWUOOPA-VXNVDRBHSA-N	-1	1	308.294	-2.178	20	0		DAADMM
CO[C@@H]1CN(CCCO)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001081899511	678107568	/nfs/dbraw/zinc/10/75/68/678107568.db2.gz	VKEFNUOVXWZDPD-HTQZYQBOSA-N	-1	1	313.314	-1.906	20	0		DAADMM
CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1cnc[nH]1	ZINC001082179164	678111599	/nfs/dbraw/zinc/11/15/99/678111599.db2.gz	NQRBTYMBJRGJNL-NXEZZACHSA-N	-1	1	321.341	-1.209	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082430932	678117168	/nfs/dbraw/zinc/11/71/68/678117168.db2.gz	KXJLSLVOHOZAQR-OPRDCNLKSA-N	-1	1	311.342	-1.138	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082458360	678117597	/nfs/dbraw/zinc/11/75/97/678117597.db2.gz	KBCMYRVLIWCYOS-MXWKQRLJSA-N	-1	1	324.385	-1.223	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082458359	678117737	/nfs/dbraw/zinc/11/77/37/678117737.db2.gz	KBCMYRVLIWCYOS-GMTAPVOTSA-N	-1	1	324.385	-1.223	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082684188	678118855	/nfs/dbraw/zinc/11/88/55/678118855.db2.gz	RESFBLWHZTZUMS-IWSPIJDZSA-N	-1	1	308.342	-1.417	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082694138	678119388	/nfs/dbraw/zinc/11/93/88/678119388.db2.gz	CLVXAFVDWGPIAV-OPRDCNLKSA-N	-1	1	322.369	-1.075	20	0		DAADMM
O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1ncn[nH]1	ZINC001073825306	678180737	/nfs/dbraw/zinc/18/07/37/678180737.db2.gz	JJOXYESGEMXDTP-QMMMGPOBSA-N	-1	1	322.329	-1.351	20	0		DAADMM
O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1nc[nH]n1	ZINC001073825306	678180738	/nfs/dbraw/zinc/18/07/38/678180738.db2.gz	JJOXYESGEMXDTP-QMMMGPOBSA-N	-1	1	322.329	-1.351	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@H]1CCCCN1C(=O)CC(N)=O	ZINC001073973951	678184770	/nfs/dbraw/zinc/18/47/70/678184770.db2.gz	LVNSLULJLGWSAZ-SNVBAGLBSA-N	-1	1	324.385	-1.203	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@H]3CCN(C(=O)C(N)=O)C[C@@H]32)nc1=O	ZINC001074327746	678191179	/nfs/dbraw/zinc/19/11/79/678191179.db2.gz	YVIHDNCLQUKXNJ-IUCAKERBSA-N	-1	1	324.341	-2.605	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)nc1=O	ZINC001074327744	678191412	/nfs/dbraw/zinc/19/14/12/678191412.db2.gz	YVIHDNCLQUKXNJ-BDAKNGLRSA-N	-1	1	324.341	-2.605	20	0		DAADMM
C[C@@H](C(N)=O)N1CC[C@@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001038924155	678220978	/nfs/dbraw/zinc/22/09/78/678220978.db2.gz	XGHYMYIRODPVAF-JGVFFNPUSA-N	-1	1	319.325	-1.905	20	0		DAADMM
CNC(=O)CN1CC[C@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001038919688	678221336	/nfs/dbraw/zinc/22/13/36/678221336.db2.gz	FAIRACKHRLHCQS-QMMMGPOBSA-N	-1	1	319.325	-2.032	20	0		DAADMM
NC(=O)CN1CC[C@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001038919771	678221408	/nfs/dbraw/zinc/22/14/08/678221408.db2.gz	FRXODHRXIIHHLK-ZETCQYMHSA-N	-1	1	305.298	-2.293	20	0		DAADMM
CC(=O)NCC(=O)NCC1(O)CN(C(=O)c2ncccc2[O-])C1	ZINC001041211654	678271499	/nfs/dbraw/zinc/27/14/99/678271499.db2.gz	YDAAVGDDICOYBC-UHFFFAOYSA-N	-1	1	322.321	-1.774	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@H]32)nc1=O	ZINC001042209516	678318813	/nfs/dbraw/zinc/31/88/13/678318813.db2.gz	ATYRNIFEVPZJHI-RKDXNWHRSA-N	-1	1	308.342	-1.984	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)nc1=O	ZINC001042209510	678318853	/nfs/dbraw/zinc/31/88/53/678318853.db2.gz	ATYRNIFEVPZJHI-BDAKNGLRSA-N	-1	1	308.342	-1.984	20	0		DAADMM
COC(=O)[C@H]1C[C@H]1C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042535059	678330982	/nfs/dbraw/zinc/33/09/82/678330982.db2.gz	VBZUZAWVLKFQCJ-ZJUUUORDSA-N	-1	1	323.353	-1.440	20	0		DAADMM
CN(C(=O)c1cn(C)nn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042676106	678337861	/nfs/dbraw/zinc/33/78/61/678337861.db2.gz	IEUVLQNANQENEJ-UHFFFAOYSA-N	-1	1	306.330	-1.807	20	0		DAADMM
CN(C(=O)[C@H]1COC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042675691	678337973	/nfs/dbraw/zinc/33/79/73/678337973.db2.gz	XLBFNQVYPCOZKC-MRVPVSSYSA-N	-1	1	310.314	-2.141	20	0		DAADMM
CN(C(=O)[C@]12C[C@H]1COC2)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042753834	678343785	/nfs/dbraw/zinc/34/37/85/678343785.db2.gz	CKXAHCYBNARTCA-XPTSAGLGSA-N	-1	1	307.354	-1.213	20	0		DAADMM
Cc1[nH]c(=O)[nH]c1C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043007955	678360995	/nfs/dbraw/zinc/36/09/95/678360995.db2.gz	KOLLIOSWMDCTNU-UHFFFAOYSA-N	-1	1	321.341	-1.198	20	0		DAADMM
CN(C(=O)c1cncn1C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043240640	678374053	/nfs/dbraw/zinc/37/40/53/678374053.db2.gz	WIVNBTPJYIWTRM-UHFFFAOYSA-N	-1	1	305.342	-1.202	20	0		DAADMM
CN(C(=O)[C@H]1CC[C@@H]1C(N)=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043516192	678383328	/nfs/dbraw/zinc/38/33/28/678383328.db2.gz	HTYAJQRDUOBUNP-UWVGGRQHSA-N	-1	1	322.369	-1.738	20	0		DAADMM
CN(C(=O)[C@@H]1CC[C@H]1C(N)=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043516185	678383586	/nfs/dbraw/zinc/38/35/86/678383586.db2.gz	HTYAJQRDUOBUNP-NXEZZACHSA-N	-1	1	322.369	-1.738	20	0		DAADMM
CN(C(=O)c1c[nH]c(=O)cn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043673059	678388958	/nfs/dbraw/zinc/38/89/58/678388958.db2.gz	DAZGBOOVQCREEM-UHFFFAOYSA-N	-1	1	319.325	-1.852	20	0		DAADMM
O=C(NCC1(O)CN(C(=O)c2ncccc2[O-])C1)c1cn[nH]n1	ZINC001043809410	678396509	/nfs/dbraw/zinc/39/65/09/678396509.db2.gz	FVVMJIVLWHZMAB-UHFFFAOYSA-N	-1	1	318.293	-1.478	20	0		DAADMM
CN(C(=O)[C@]1(C)CCNC1=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043856153	678401697	/nfs/dbraw/zinc/40/16/97/678401697.db2.gz	IJXQRQGXRMFUPM-CQSZACIVSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN(C(=O)c1ccnnc1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043965082	678407469	/nfs/dbraw/zinc/40/74/69/678407469.db2.gz	UNTANCYUFWTUCC-UHFFFAOYSA-N	-1	1	303.326	-1.145	20	0		DAADMM
CN(C(=O)C[C@@H]1CCC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001044041161	678410281	/nfs/dbraw/zinc/41/02/81/678410281.db2.gz	FPXZDINYZYFRAR-VIFPVBQESA-N	-1	1	322.369	-1.580	20	0		DAADMM
CN(C(=O)c1ncccn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001044077090	678411799	/nfs/dbraw/zinc/41/17/99/678411799.db2.gz	VIVZYXYRIONLRD-UHFFFAOYSA-N	-1	1	303.326	-1.145	20	0		DAADMM
CN(C(=O)Cc1nnc[nH]1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001044163016	678414719	/nfs/dbraw/zinc/41/47/19/678414719.db2.gz	KGVDUMQTVYPNFG-UHFFFAOYSA-N	-1	1	306.330	-1.888	20	0		DAADMM
O=C(CN1CCOCC1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001045000777	678443312	/nfs/dbraw/zinc/44/33/12/678443312.db2.gz	YEXBYMXFVVSWOR-NSHDSACASA-N	-1	1	324.385	-1.077	20	0		DAADMM
O=C([C@H]1CNC(=O)N1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001045175162	678448198	/nfs/dbraw/zinc/44/81/98/678448198.db2.gz	BINRFHQBZYWQHR-JGVFFNPUSA-N	-1	1	309.330	-1.728	20	0		DAADMM
O=C([C@@H]1CNC(=O)N1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001045175163	678448325	/nfs/dbraw/zinc/44/83/25/678448325.db2.gz	BINRFHQBZYWQHR-YUMQZZPRSA-N	-1	1	309.330	-1.728	20	0		DAADMM
O=C(CCn1cnnn1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001045251083	678452485	/nfs/dbraw/zinc/45/24/85/678452485.db2.gz	CKOCVEOXNVDCNP-VIFPVBQESA-N	-1	1	321.345	-1.332	20	0		DAADMM
CC[C@@H](C(N)=O)N1CC[C@](C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001046453547	678482836	/nfs/dbraw/zinc/48/28/36/678482836.db2.gz	IIJBXVQNWGADDU-CPFSXVBKSA-N	-1	1	324.341	-1.259	20	0		DAADMM
Cc1nn[nH]c1C(=O)N[C@@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001046530654	678484417	/nfs/dbraw/zinc/48/44/17/678484417.db2.gz	JLTRGMWDBGYKNH-ZDUSSCGKSA-N	-1	1	320.357	-1.071	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](C)(NC(=O)[C@H]3CCNC3=O)C2)nc1=O	ZINC001046540653	678484507	/nfs/dbraw/zinc/48/45/07/678484507.db2.gz	YIVQYQZCEIJTNM-LKFCYVNXSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](C)(NC(=O)[C@H]3CNC(=O)N3)C2)nc1=O	ZINC001046589230	678487204	/nfs/dbraw/zinc/48/72/04/678487204.db2.gz	TWRZWJLQQXPNIY-AMIZOPFISA-N	-1	1	323.357	-2.130	20	0		DAADMM
CN(C(=O)c1ncccc1[O-])[C@H]1CN([C@H]2CCNC2=O)C[C@@H]1O	ZINC001047359531	678510966	/nfs/dbraw/zinc/51/09/66/678510966.db2.gz	ZBOYJBAXRGSAHP-NHCYSSNCSA-N	-1	1	320.349	-1.207	20	0		DAADMM
Cc1nn[nH]c1C(=O)N(C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001047481262	678523218	/nfs/dbraw/zinc/52/32/18/678523218.db2.gz	YUIZGPMDLJJSFQ-YUMQZZPRSA-N	-1	1	322.329	-1.746	20	0		DAADMM
CN(C(=O)[C@H]1CC12CC2)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001047543013	678529416	/nfs/dbraw/zinc/52/94/16/678529416.db2.gz	IFPKQHYDJKHRNR-VWYCJHECSA-N	-1	1	321.381	-1.088	20	0		DAADMM
CN(C(=O)c1c[n-]n2c1nccc2=O)[C@H]1CN(CCO)C[C@@H]1O	ZINC001047555633	678529679	/nfs/dbraw/zinc/52/96/79/678529679.db2.gz	JVHFJXFKWOYDBF-QWRGUYRKSA-N	-1	1	321.337	-1.868	20	0		DAADMM
CN(C(=O)CC(N)=O)[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001048593193	678553386	/nfs/dbraw/zinc/55/33/86/678553386.db2.gz	QJRYWGWBRGANNC-WPRPVWTQSA-N	-1	1	322.321	-1.694	20	0		DAADMM
NC(=O)CN1CCC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1	ZINC001052899093	678590569	/nfs/dbraw/zinc/59/05/69/678590569.db2.gz	LTWQNGRETSQRIM-QMMMGPOBSA-N	-1	1	312.330	-1.855	20	0		DAADMM
Cn1[n-]c(CN2CC3(C2)C[C@@H](NC(=O)C(F)F)CO3)nc1=O	ZINC001053710398	678611467	/nfs/dbraw/zinc/61/14/67/678611467.db2.gz	MWSLWQKMCFHQAK-SSDOTTSWSA-N	-1	1	317.296	-1.167	20	0		DAADMM
O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1ncn[nH]1	ZINC001053960083	678625363	/nfs/dbraw/zinc/62/53/63/678625363.db2.gz	NVAJXSSRZFOJPI-SSDOTTSWSA-N	-1	1	320.313	-1.598	20	0		DAADMM
O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1nc[nH]n1	ZINC001053960083	678625364	/nfs/dbraw/zinc/62/53/64/678625364.db2.gz	NVAJXSSRZFOJPI-SSDOTTSWSA-N	-1	1	320.313	-1.598	20	0		DAADMM
C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054461466	678631409	/nfs/dbraw/zinc/63/14/09/678631409.db2.gz	PEXJZDQIDVLHFL-HTQZYQBOSA-N	-1	1	317.371	-1.509	20	0		DAADMM
CC(=O)N1CC(C(=O)N2C[C@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)C1	ZINC001054597661	678632496	/nfs/dbraw/zinc/63/24/96/678632496.db2.gz	AUYXPRAZZCLZDP-GZMMTYOYSA-N	-1	1	322.369	-1.075	20	0		DAADMM
C[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054614724	678632630	/nfs/dbraw/zinc/63/26/30/678632630.db2.gz	NCEFGOHZNJJIQS-YUMQZZPRSA-N	-1	1	306.330	-1.111	20	0		DAADMM
C[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054614723	678632818	/nfs/dbraw/zinc/63/28/18/678632818.db2.gz	NCEFGOHZNJJIQS-SFYZADRCSA-N	-1	1	306.330	-1.111	20	0		DAADMM
C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054589435	678632835	/nfs/dbraw/zinc/63/28/35/678632835.db2.gz	YEHAMQCVQDGLCM-GHMZBOCLSA-N	-1	1	324.385	-1.221	20	0		DAADMM
C[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054695710	678633954	/nfs/dbraw/zinc/63/39/54/678633954.db2.gz	JUSWGBMZNJPJOJ-BDAKNGLRSA-N	-1	1	306.330	-1.262	20	0		DAADMM
C[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054695715	678634157	/nfs/dbraw/zinc/63/41/57/678634157.db2.gz	JUSWGBMZNJPJOJ-IUCAKERBSA-N	-1	1	306.330	-1.262	20	0		DAADMM
C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054981868	678636754	/nfs/dbraw/zinc/63/67/54/678636754.db2.gz	PQJQKLAYNKDNAQ-BQBZGAKWSA-N	-1	1	307.318	-1.716	20	0		DAADMM
O=C(NCCN(CCO)C(=O)c1ncccc1[O-])c1cn[nH]n1	ZINC001057408661	678715044	/nfs/dbraw/zinc/71/50/44/678715044.db2.gz	LXWHCDQNEKTMRI-UHFFFAOYSA-N	-1	1	320.309	-1.230	20	0		DAADMM
Cn1[n-]c(CN2CCOC[C@H]2CNC(=O)c2ccn[nH]2)nc1=O	ZINC001050828649	678732077	/nfs/dbraw/zinc/73/20/77/678732077.db2.gz	RUVYIXPSNOHCDA-SECBINFHSA-N	-1	1	321.341	-1.538	20	0		DAADMM
CCN1CCOC[C@@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001051208181	678749805	/nfs/dbraw/zinc/74/98/05/678749805.db2.gz	AFGKYYGNZXNYIZ-VIFPVBQESA-N	-1	1	306.326	-1.132	20	0		DAADMM
O=C(c1cnccn1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051405493	678754117	/nfs/dbraw/zinc/75/41/17/678754117.db2.gz	WHMMIZYBQJUXTJ-SECBINFHSA-N	-1	1	319.325	-1.069	20	0		DAADMM
O=C(Cn1cnnn1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051421372	678754858	/nfs/dbraw/zinc/75/48/58/678754858.db2.gz	PQFIUAQCVFSZGC-MRVPVSSYSA-N	-1	1	323.317	-2.486	20	0		DAADMM
O=C(c1cc[nH]n1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051453641	678756080	/nfs/dbraw/zinc/75/60/80/678756080.db2.gz	DJTHTWFPJHIDAX-MRVPVSSYSA-N	-1	1	307.314	-1.136	20	0		DAADMM
Cn1nccc1C(=O)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051485247	678758527	/nfs/dbraw/zinc/75/85/27/678758527.db2.gz	PPCZZLMDTRFLPW-VIFPVBQESA-N	-1	1	321.341	-1.125	20	0		DAADMM
O=C([C@H]1CCC(=O)N1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051490429	678759384	/nfs/dbraw/zinc/75/93/84/678759384.db2.gz	YPKMRICATKOFLJ-DTWKUNHWSA-N	-1	1	324.341	-1.894	20	0		DAADMM
O=C(c1cncnc1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051567044	678761327	/nfs/dbraw/zinc/76/13/27/678761327.db2.gz	TVGZZJIYZVSWQR-SNVBAGLBSA-N	-1	1	319.325	-1.069	20	0		DAADMM
CC(C)[C@@H](O)C(=O)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051591570	678761962	/nfs/dbraw/zinc/76/19/62/678761962.db2.gz	DDZDVZKUPSQKDF-MWLCHTKSSA-N	-1	1	313.358	-1.156	20	0		DAADMM
O=C(Cn1nccn1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051640460	678765422	/nfs/dbraw/zinc/76/54/22/678765422.db2.gz	CTNRBGGKPHJTIT-SECBINFHSA-N	-1	1	322.329	-1.881	20	0		DAADMM
O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051780515	678770893	/nfs/dbraw/zinc/77/08/93/678770893.db2.gz	OXJJZTGFPNNLOA-SVDPJWKOSA-N	-1	1	323.353	-1.280	20	0		DAADMM
NC(=O)C1(C(=O)N2CCO[C@H](CNCc3n[nH]c(=O)[n-]3)C2)CC1	ZINC001051799502	678774232	/nfs/dbraw/zinc/77/42/32/678774232.db2.gz	SKLSJAVMEJZFRM-MRVPVSSYSA-N	-1	1	324.341	-1.907	20	0		DAADMM
O=C(c1cnon1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051876146	678777468	/nfs/dbraw/zinc/77/74/68/678777468.db2.gz	JCCDUEUZHBWALF-ZETCQYMHSA-N	-1	1	309.286	-1.476	20	0		DAADMM
O=C(c1cccnn1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051877291	678777629	/nfs/dbraw/zinc/77/76/29/678777629.db2.gz	AXNLJRDAEAZQKG-VIFPVBQESA-N	-1	1	319.325	-1.069	20	0		DAADMM
Cn1ccc(C(=O)N2CCO[C@H](CNCc3n[nH]c(=O)[n-]3)C2)n1	ZINC001051932888	678780404	/nfs/dbraw/zinc/78/04/04/678780404.db2.gz	XDCCJVDWCQMJKN-SECBINFHSA-N	-1	1	321.341	-1.125	20	0		DAADMM
NC(=O)CN1CCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001052527526	678792218	/nfs/dbraw/zinc/79/22/18/678792218.db2.gz	CWJGYSKLEVFLIJ-ZETCQYMHSA-N	-1	1	310.314	-1.648	20	0		DAADMM
CNC(=O)CN1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001052528494	678792656	/nfs/dbraw/zinc/79/26/56/678792656.db2.gz	LYWNLAXKXGVAJV-MRVPVSSYSA-N	-1	1	324.341	-1.387	20	0		DAADMM
CCN1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](n2ccnn2)C1	ZINC001069970416	678848559	/nfs/dbraw/zinc/84/85/59/678848559.db2.gz	DXUGRYYCHYLYFY-SFYZADRCSA-N	-1	1	320.313	-1.451	20	0		DAADMM
CCC(=O)N1CCC(=O)NCCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001070925419	678875886	/nfs/dbraw/zinc/87/58/86/678875886.db2.gz	OMVONYUDSWZYRS-UHFFFAOYSA-N	-1	1	324.385	-1.331	20	0		DAADMM
CCOC(=O)CCNC(=S)Nc1c(O)[nH]c(=O)[n-]c1=S	ZINC001200182969	782193634	/nfs/dbraw/zinc/19/36/34/782193634.db2.gz	URIOPGCGLRKXIF-LURJTMIESA-N	-1	1	318.380	-1.061	20	0		DAADMM
NC(=O)NCC(=O)N[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C12CCC2	ZINC001202426704	782233270	/nfs/dbraw/zinc/23/32/70/782233270.db2.gz	CDMYCVARZKOLGE-HTQZYQBOSA-N	-1	1	323.357	-1.304	20	0		DAADMM
NC(=O)CC(=O)N[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C12CCC2	ZINC001202664126	782255895	/nfs/dbraw/zinc/25/58/95/782255895.db2.gz	NNSSIHLZRBYTEW-YUMQZZPRSA-N	-1	1	308.342	-1.097	20	0		DAADMM
NC(=O)CC(=O)N[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C12CCC2	ZINC001202664124	782256091	/nfs/dbraw/zinc/25/60/91/782256091.db2.gz	NNSSIHLZRBYTEW-JGVFFNPUSA-N	-1	1	308.342	-1.097	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)CC(N)=O)C(C)(C)C2)nc1=O	ZINC001274426588	782276844	/nfs/dbraw/zinc/27/68/44/782276844.db2.gz	SXRMRZPAEOAVTK-SECBINFHSA-N	-1	1	324.385	-1.300	20	0		DAADMM
CCOCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001099645931	782461288	/nfs/dbraw/zinc/46/12/88/782461288.db2.gz	ZSRSSILAWVVYIP-NXEZZACHSA-N	-1	1	313.358	-1.804	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)nc1=O	ZINC001099744428	782477803	/nfs/dbraw/zinc/47/78/03/782477803.db2.gz	UOTIUOJEOZGXBV-SFYZADRCSA-N	-1	1	312.330	-2.965	20	0		DAADMM
CS(=O)(=O)CS(=O)(=O)Nc1[n-]c(=O)nc2nc[nH]c21	ZINC001260595890	780533169	/nfs/dbraw/zinc/53/31/69/780533169.db2.gz	OUJHIDWFNFSLQJ-UHFFFAOYSA-N	-1	1	307.313	-1.198	20	0		DAADMM
C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)Cn1ncnn1	ZINC001101979707	782608905	/nfs/dbraw/zinc/60/89/05/782608905.db2.gz	CGUQDHJJNSXDNW-RKDXNWHRSA-N	-1	1	321.345	-1.619	20	0		DAADMM
C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CCNC(=O)CC(N)=O	ZINC001102802002	782622469	/nfs/dbraw/zinc/62/24/69/782622469.db2.gz	OKUZBISZRRCKMV-RKDXNWHRSA-N	-1	1	310.358	-1.040	20	0		DAADMM
C[C@]1(NC(=O)CCn2cc[n-]c(=O)c2=O)CCS(=O)(=O)C1	ZINC001116055148	782656053	/nfs/dbraw/zinc/65/60/53/782656053.db2.gz	KVYKFWMEZGMKPJ-LBPRGKRZSA-N	-1	1	315.351	-1.380	20	0		DAADMM
CN(CCNC(=O)[C@@H]1CCCNC1=O)Cc1nc(=O)n(C)[n-]1	ZINC001266285224	775123737	/nfs/dbraw/zinc/12/37/37/775123737.db2.gz	QVSSEAXFLHZOSZ-SECBINFHSA-N	-1	1	310.358	-1.817	20	0		DAADMM
CN(CCOCCNCc1n[nH]c(=O)[n-]1)C(=O)c1cnn(C)n1	ZINC001279443192	775159517	/nfs/dbraw/zinc/15/95/17/775159517.db2.gz	KYDLCFKLNPFGHS-UHFFFAOYSA-N	-1	1	324.345	-1.483	20	0		DAADMM
Cn1[n-]c(CN(CCNC(=O)C2(C(N)=O)CC2)C2CC2)nc1=O	ZINC001267333220	775229139	/nfs/dbraw/zinc/22/91/39/775229139.db2.gz	YPIVDFGCHZDTDR-UHFFFAOYSA-N	-1	1	322.369	-1.546	20	0		DAADMM
CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCN(C)C(=O)C1	ZINC001267392632	775234643	/nfs/dbraw/zinc/23/46/43/775234643.db2.gz	BUPIXDQBNHNYLX-SECBINFHSA-N	-1	1	310.358	-1.073	20	0		DAADMM
NC(=O)C(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1Cc1n[nH]c(=O)[n-]1	ZINC001087386857	775267587	/nfs/dbraw/zinc/26/75/87/775267587.db2.gz	UHCOBBXKHMISIU-QEYWKRMJSA-N	-1	1	320.353	-1.336	20	0		DAADMM
CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CSC	ZINC001211819064	775400995	/nfs/dbraw/zinc/40/09/95/775400995.db2.gz	HIMLPUYCSQRPFS-RKDXNWHRSA-N	-1	1	315.399	-1.213	20	0		DAADMM
CN1C(=O)C[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)C1=O	ZINC001211831618	775403848	/nfs/dbraw/zinc/40/38/48/775403848.db2.gz	HLQYFBAWGIQXKI-RXMQYKEDSA-N	-1	1	316.295	-2.479	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)C1(C(N)=O)CC1	ZINC001268743369	775420624	/nfs/dbraw/zinc/42/06/24/775420624.db2.gz	QUDIVDRDEWYNIQ-MRVPVSSYSA-N	-1	1	310.358	-1.690	20	0		DAADMM
CCNC(=O)CC(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001269223169	775449715	/nfs/dbraw/zinc/44/97/15/775449715.db2.gz	LRHWRRYYFSHETO-VIFPVBQESA-N	-1	1	310.358	-1.675	20	0		DAADMM
C[C@@H](C(N)=O)N1CC[C@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001269321173	775460531	/nfs/dbraw/zinc/46/05/31/775460531.db2.gz	PYXAHQPXUPUKFD-UWVGGRQHSA-N	-1	1	323.353	-2.009	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC2(C1)CN(C1COC1)C(=O)CO2	ZINC001269577169	775473225	/nfs/dbraw/zinc/47/32/25/775473225.db2.gz	GHINOBYUNJXRSH-UHFFFAOYSA-N	-1	1	308.298	-2.419	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC2(C1)COCC(=O)N2C1COC1	ZINC001269577110	775473427	/nfs/dbraw/zinc/47/34/27/775473427.db2.gz	DSFJYTDHWPASOK-UHFFFAOYSA-N	-1	1	308.298	-2.419	20	0		DAADMM
CCOCCN1C(=O)COCC12CN(C(=O)Cc1nn[n-]n1)C2	ZINC001269576464	775473849	/nfs/dbraw/zinc/47/38/49/775473849.db2.gz	MSGOVCMITIWZHC-UHFFFAOYSA-N	-1	1	324.341	-1.782	20	0		DAADMM
Cn1ncnc1C(=O)N1CC2(CN(C(=O)Cc3nn[n-]n3)C2)C1	ZINC001270183425	775485908	/nfs/dbraw/zinc/48/59/08/775485908.db2.gz	WAFLDKNWAMGHBC-UHFFFAOYSA-N	-1	1	317.313	-2.145	20	0		DAADMM
Cn1[n-]c(CN2CCC(C)(NC(=O)CC(N)=O)CC2)nc1=O	ZINC001270219946	775487064	/nfs/dbraw/zinc/48/70/64/775487064.db2.gz	FWVWDDBXVMPRLW-UHFFFAOYSA-N	-1	1	310.358	-1.546	20	0		DAADMM
CN(C)C(=O)CN1CC2(C1)CCCN(C(=O)Cc1nn[n-]n1)C2	ZINC001270182460	775487226	/nfs/dbraw/zinc/48/72/26/775487226.db2.gz	DZRIFFISZMKSRS-UHFFFAOYSA-N	-1	1	321.385	-1.245	20	0		DAADMM
CN(C)S(=O)(=O)N1CCC12CN(C(=O)Cc1nn[n-]n1)C2	ZINC001270185715	775487334	/nfs/dbraw/zinc/48/73/34/775487334.db2.gz	JRKSYQDWWMPHAA-UHFFFAOYSA-N	-1	1	315.359	-2.165	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC2(C1)CC[C@H](C(=O)N1CC=CC1)O2	ZINC001270788985	775509052	/nfs/dbraw/zinc/50/90/52/775509052.db2.gz	KSJMJOSETBTZEK-SNVBAGLBSA-N	-1	1	318.337	-1.099	20	0		DAADMM
O=C(Cc1nn[n-]n1)NC12CC(C(=O)NCC3COC3)(C1)C2	ZINC001270788350	775509167	/nfs/dbraw/zinc/50/91/67/775509167.db2.gz	FVCXJKZRTJRYOF-UHFFFAOYSA-N	-1	1	306.326	-1.456	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC2(C[C@H]2C(=O)NCC(F)F)C1	ZINC001270790011	775509239	/nfs/dbraw/zinc/50/92/39/775509239.db2.gz	ZOHIBKZFOAKBBT-LURJTMIESA-N	-1	1	300.269	-1.028	20	0		DAADMM
CN(C)C(=O)c1n[nH]c2c1CCN(C(=O)Cc1nn[n-]n1)C2	ZINC001270789649	775509343	/nfs/dbraw/zinc/50/93/43/775509343.db2.gz	SVOXZFPEGPNUBF-UHFFFAOYSA-N	-1	1	304.314	-1.248	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC2(C[C@@H]2C(=O)NCC2COC2)C1	ZINC001270788356	775509514	/nfs/dbraw/zinc/50/95/14/775509514.db2.gz	GFLTVXTXPZLWOQ-SECBINFHSA-N	-1	1	306.326	-1.647	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC[C@@H]2C[C@@]21C(=O)NCC1COC1	ZINC001270787981	775509543	/nfs/dbraw/zinc/50/95/43/775509543.db2.gz	COCOHMPDXKYURF-RNCFNFMXSA-N	-1	1	306.326	-1.504	20	0		DAADMM
Cn1nnnc1NC(=O)C12CC(NC(=O)Cc3nn[n-]n3)(C1)C2	ZINC001270784474	775509812	/nfs/dbraw/zinc/50/98/12/775509812.db2.gz	KIMIPPPAQWINRB-UHFFFAOYSA-N	-1	1	318.301	-2.057	20	0		DAADMM
COc1nccc(CNCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1	ZINC001149141584	775514157	/nfs/dbraw/zinc/51/41/57/775514157.db2.gz	QVSPEORNRBOLMT-UHFFFAOYSA-N	-1	1	323.313	-1.606	20	0		DAADMM
CO[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC	ZINC001211956908	775627959	/nfs/dbraw/zinc/62/79/59/775627959.db2.gz	KALKWUKPLZPUFG-OPRDCNLKSA-N	-1	1	313.358	-1.541	20	0		DAADMM
C[C@@H]1[C@@H](NC(=O)Cc2nnc[nH]2)CCN1Cc1n[nH]c(=O)[n-]1	ZINC001088969977	775738375	/nfs/dbraw/zinc/73/83/75/775738375.db2.gz	YYLPDGVAESDXGI-SFYZADRCSA-N	-1	1	306.330	-1.050	20	0		DAADMM
CN(CC(=O)N1[C@@H]2CC[C@H]1CN(C)C2)C(N)=[NH+]P(=O)([O-])[O-]	ZINC001272724086	775831667	/nfs/dbraw/zinc/83/16/67/775831667.db2.gz	AEEDSLRPMYZFIB-DTORHVGOSA-N	-1	1	319.302	-1.160	20	0		DAADMM
CCC(=O)NCc1cn(C2CN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001107110944	775845545	/nfs/dbraw/zinc/84/55/45/775845545.db2.gz	IJYOUAMNVQPCKS-UHFFFAOYSA-N	-1	1	320.357	-1.217	20	0		DAADMM
NC(=O)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1n[nH]c(=O)[n-]1)CC2	ZINC001107530150	775866163	/nfs/dbraw/zinc/86/61/63/775866163.db2.gz	JAVOYWFIRNDSMR-AMIZOPFISA-N	-1	1	308.342	-1.144	20	0		DAADMM
NC(=O)C(=O)NC[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001107530150	775866169	/nfs/dbraw/zinc/86/61/69/775866169.db2.gz	JAVOYWFIRNDSMR-AMIZOPFISA-N	-1	1	308.342	-1.144	20	0		DAADMM
CCS(=O)(=O)N[C@@H](C)C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001127859858	775876134	/nfs/dbraw/zinc/87/61/34/775876134.db2.gz	LOWLECLESUPZFG-ZETCQYMHSA-N	-1	1	320.375	-1.956	20	0		DAADMM
CCS(=O)(=O)N[C@H](C)C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001127859856	775876256	/nfs/dbraw/zinc/87/62/56/775876256.db2.gz	LOWLECLESUPZFG-SSDOTTSWSA-N	-1	1	320.375	-1.956	20	0		DAADMM
O=C(CSCC(=O)N1CCOCC1)NN1CC(=O)[N-]C1=O	ZINC001116115984	775905368	/nfs/dbraw/zinc/90/53/68/775905368.db2.gz	VCDRGKUCLCLPHP-UHFFFAOYSA-N	-1	1	316.339	-1.839	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3ccc[nH]3)[C@H](O)C2)nc1=O	ZINC001090067393	775966104	/nfs/dbraw/zinc/96/61/04/775966104.db2.gz	DQGZRUJHAMJPSG-GXSJLCMTSA-N	-1	1	320.353	-1.198	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3cocn3)[C@H](O)C2)nc1=O	ZINC001090129427	775989866	/nfs/dbraw/zinc/98/98/66/775989866.db2.gz	PHIAEHRMQPVDQG-WCBMZHEXSA-N	-1	1	322.325	-1.538	20	0		DAADMM
C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001128633519	776003376	/nfs/dbraw/zinc/00/33/76/776003376.db2.gz	NJTNGWHPWXMAJX-BDAKNGLRSA-N	-1	1	310.358	-1.122	20	0		DAADMM
CC(C)N1C[C@H](C(=O)NCCNCc2n[nH]c(=O)[n-]2)CC1=O	ZINC001128639824	776003590	/nfs/dbraw/zinc/00/35/90/776003590.db2.gz	LIVGNUAWGUXFHF-SECBINFHSA-N	-1	1	310.358	-1.027	20	0		DAADMM
C[C@@H](C(=O)NCCNCc1n[nH]c(=O)[n-]1)N1C(=O)CCC1=O	ZINC001128720904	776011048	/nfs/dbraw/zinc/01/10/48/776011048.db2.gz	UMKDWSXQLDJCQP-ZETCQYMHSA-N	-1	1	310.314	-1.746	20	0		DAADMM
CNC(=O)CN1CC[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC001090215564	776039727	/nfs/dbraw/zinc/03/97/27/776039727.db2.gz	HABRUZUXSLMNMC-KOLCDFICSA-N	-1	1	308.338	-1.302	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@@](C)(CNC(=O)C(N)=O)C2)nc1=O	ZINC001108176804	776073276	/nfs/dbraw/zinc/07/32/76/776073276.db2.gz	GASRDUYBQFVQGL-LBPRGKRZSA-N	-1	1	312.330	-2.699	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3cc[nH]c3)[C@H](O)C2)nc1=O	ZINC001090279117	776076656	/nfs/dbraw/zinc/07/66/56/776076656.db2.gz	JHXZGCUCZOOHTA-WDEREUQCSA-N	-1	1	320.353	-1.198	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)C3(C)CC3)[C@@H](O)C2)nc1=O	ZINC001090287535	776080696	/nfs/dbraw/zinc/08/06/96/776080696.db2.gz	WLNZHLAXZWAZEP-UWVGGRQHSA-N	-1	1	309.370	-1.040	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)C3(C)CC3)[C@@H](O)C2)nc1=O	ZINC001090287538	776080999	/nfs/dbraw/zinc/08/09/99/776080999.db2.gz	WLNZHLAXZWAZEP-ZJUUUORDSA-N	-1	1	309.370	-1.040	20	0		DAADMM
Cc1conc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001083925990	776104427	/nfs/dbraw/zinc/10/44/27/776104427.db2.gz	BRPBBTRTPORTJK-BDAKNGLRSA-N	-1	1	322.325	-1.620	20	0		DAADMM
NC(=O)CN1C[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H](O)C1	ZINC001083950598	776142663	/nfs/dbraw/zinc/14/26/63/776142663.db2.gz	RJUUHFFSSPVQRY-SFYZADRCSA-N	-1	1	321.297	-3.322	20	0		DAADMM
Cc1c[nH]cc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001084052300	776159471	/nfs/dbraw/zinc/15/94/71/776159471.db2.gz	WKTLCXLMRKDXCR-MNOVXSKESA-N	-1	1	320.353	-1.280	20	0		DAADMM
Cc1nc[nH]c1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001084124997	776169574	/nfs/dbraw/zinc/16/95/74/776169574.db2.gz	WUSJIXKNXIJGCB-BDAKNGLRSA-N	-1	1	321.341	-1.885	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)CC(N)=O)[C@@H]3C2)nc1=O	ZINC001084243442	776171249	/nfs/dbraw/zinc/17/12/49/776171249.db2.gz	GFXXMSNRAFFMPT-RKDXNWHRSA-N	-1	1	308.342	-1.984	20	0		DAADMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1ncn(C)n1	ZINC001085580585	776216647	/nfs/dbraw/zinc/21/66/47/776216647.db2.gz	QAQPXCREIZBPNN-VIFPVBQESA-N	-1	1	320.357	-1.417	20	0		DAADMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@H]1CCNC1=O	ZINC001085762753	776222001	/nfs/dbraw/zinc/22/20/01/776222001.db2.gz	OPCFBHKJPURLJH-UWVGGRQHSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1nc[nH]n1	ZINC001085881130	776229169	/nfs/dbraw/zinc/22/91/69/776229169.db2.gz	WZVDJUJGOFZBRA-MRVPVSSYSA-N	-1	1	306.330	-1.427	20	0		DAADMM
Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC001169688693	776298216	/nfs/dbraw/zinc/29/82/16/776298216.db2.gz	OKTFDGDTKAHHCQ-PHDIDXHHSA-N	-1	1	319.364	-1.333	20	0		DAADMM
Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CNC(N)=O)C3)nc1=O	ZINC001108920983	776318934	/nfs/dbraw/zinc/31/89/34/776318934.db2.gz	ZDUPFKVLMVXETR-VGMNWLOBSA-N	-1	1	323.357	-2.002	20	0		DAADMM
CCCC(=O)NCC(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001112661029	776355804	/nfs/dbraw/zinc/35/58/04/776355804.db2.gz	YLCUKACYOWEMGU-UHFFFAOYSA-N	-1	1	324.385	-1.331	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001113196433	776399323	/nfs/dbraw/zinc/39/93/23/776399323.db2.gz	RLKLRPYLXBCUOA-VIFPVBQESA-N	-1	1	310.358	-1.736	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)C(=O)NCC3CC3)CC2)nc1=O	ZINC001113473125	776410143	/nfs/dbraw/zinc/41/01/43/776410143.db2.gz	KGTWFDUQIFOXFO-UHFFFAOYSA-N	-1	1	322.369	-1.721	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3cnco3)[C@H](O)C2)nc1=O	ZINC001090466359	776425924	/nfs/dbraw/zinc/42/59/24/776425924.db2.gz	KAEJIWVGDBGFSL-RKDXNWHRSA-N	-1	1	322.325	-1.538	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(C)(C)O)nc1=O	ZINC001114215498	776462564	/nfs/dbraw/zinc/46/25/64/776462564.db2.gz	YFRZESGQVKXDEK-GDGBQDQQSA-N	-1	1	309.370	-1.184	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC2(O)CCC2)nc1=O	ZINC001114239965	776466037	/nfs/dbraw/zinc/46/60/37/776466037.db2.gz	OXTRBIHTZGZRFH-IWIIMEHWSA-N	-1	1	321.381	-1.040	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)c1cnc2n1CCOC2	ZINC001129889164	776483788	/nfs/dbraw/zinc/48/37/88/776483788.db2.gz	SQOVJNBUUKTFQM-UHFFFAOYSA-N	-1	1	307.314	-1.243	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3CCC[C@]3(NC(=O)CC(N)=O)C2)nc1=O	ZINC001111678351	776522292	/nfs/dbraw/zinc/52/22/92/776522292.db2.gz	AHPINEWLYABTMV-XPTSAGLGSA-N	-1	1	322.369	-1.546	20	0		DAADMM
Cc1nccnc1CNCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001130864799	776541627	/nfs/dbraw/zinc/54/16/27/776541627.db2.gz	IOCCOYCWLMRYHD-UHFFFAOYSA-N	-1	1	305.298	-1.099	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)c1ccnc2n[nH]nc21	ZINC001131171585	776559904	/nfs/dbraw/zinc/55/99/04/776559904.db2.gz	XBXUPDSKKGDDIE-UHFFFAOYSA-N	-1	1	303.286	-1.304	20	0		DAADMM
Cn1nnc2cc(C(=O)NCCNCc3n[nH]c(=O)[n-]3)cnc21	ZINC001131458997	776572510	/nfs/dbraw/zinc/57/25/10/776572510.db2.gz	LZOMKWPYSQUUFA-UHFFFAOYSA-N	-1	1	317.313	-1.293	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001131644858	776580203	/nfs/dbraw/zinc/58/02/03/776580203.db2.gz	KKFKNWAZKHKMQK-ATZCPNFKSA-N	-1	1	311.342	-1.232	20	0		DAADMM
CC(=O)NCC(=O)N[C@H]1CC[C@@H](C)N(Cc2nc(=O)n(C)[n-]2)C1	ZINC001131746371	776583421	/nfs/dbraw/zinc/58/34/21/776583421.db2.gz	BZAFBMNTIPGISY-KOLCDFICSA-N	-1	1	324.385	-1.286	20	0		DAADMM
CNS(=O)(=O)NCC(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001131832189	776595830	/nfs/dbraw/zinc/59/58/30/776595830.db2.gz	YWHZEKXTTHRQJU-UHFFFAOYSA-N	-1	1	307.336	-3.230	20	0		DAADMM
CNC(=O)CC(=O)N[C@H]1CC[C@H](C)N(Cc2nc(=O)n(C)[n-]2)C1	ZINC001131975914	776601148	/nfs/dbraw/zinc/60/11/48/776601148.db2.gz	GCGBSUZXROJMEG-UWVGGRQHSA-N	-1	1	324.385	-1.286	20	0		DAADMM
Cn1nncc1CNCCNC(=O)c1cnc([O-])n(C)c1=O	ZINC001132242457	776613731	/nfs/dbraw/zinc/61/37/31/776613731.db2.gz	OGJVGIKEFUEAPM-UHFFFAOYSA-N	-1	1	307.314	-1.866	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)c1ccn2nnnc2c1	ZINC001132272275	776617456	/nfs/dbraw/zinc/61/74/56/776617456.db2.gz	WQHBFPPAPVWBAO-UHFFFAOYSA-N	-1	1	303.286	-1.532	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)[C@@H]1CCCc2nn[nH]c21	ZINC001133001410	776648926	/nfs/dbraw/zinc/64/89/26/776648926.db2.gz	ZVHBCZMPXLGOCR-SSDOTTSWSA-N	-1	1	306.330	-1.046	20	0		DAADMM
C[C@H](C[C@@H](C)NC(=O)CS(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001133836160	776678753	/nfs/dbraw/zinc/67/87/53/776678753.db2.gz	PNUQNPFZJPJPQB-HTQZYQBOSA-N	-1	1	319.387	-1.072	20	0		DAADMM
Cn1nnc(CNCCNC(=O)CCn2cc[n-]c(=O)c2=O)n1	ZINC001135386629	776755122	/nfs/dbraw/zinc/75/51/22/776755122.db2.gz	BNGKIGMNDSBLBP-UHFFFAOYSA-N	-1	1	322.329	-2.644	20	0		DAADMM
CCn1nc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)ccc1=O	ZINC001135482718	776759126	/nfs/dbraw/zinc/75/91/26/776759126.db2.gz	JIBMSBYODGYZRZ-UHFFFAOYSA-N	-1	1	307.314	-1.394	20	0		DAADMM
O=C(CC(=O)NCC(F)(F)F)NCCNCc1n[nH]c(=O)[n-]1	ZINC001136015347	776779916	/nfs/dbraw/zinc/77/99/16/776779916.db2.gz	XLPMISRKKUONDO-UHFFFAOYSA-N	-1	1	324.263	-1.215	20	0		DAADMM
O=C(N[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ncn[n-]1	ZINC001090658400	776810517	/nfs/dbraw/zinc/81/05/17/776810517.db2.gz	XVVNXAJUJKKKIL-RNFRBKRXSA-N	-1	1	308.302	-2.006	20	0		DAADMM
O=C(N[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ncn[n-]1	ZINC001090658400	776810527	/nfs/dbraw/zinc/81/05/27/776810527.db2.gz	XVVNXAJUJKKKIL-RNFRBKRXSA-N	-1	1	308.302	-2.006	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3cnon3)[C@H](O)C2)nc1=O	ZINC001090663189	776813921	/nfs/dbraw/zinc/81/39/21/776813921.db2.gz	JSUHMOGLYQCIOH-VXNVDRBHSA-N	-1	1	323.313	-2.143	20	0		DAADMM
COCC[N@H+]1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](O)C1	ZINC001090754417	776836498	/nfs/dbraw/zinc/83/64/98/776836498.db2.gz	BTCDIODTSDUVPJ-RKDXNWHRSA-N	-1	1	315.330	-2.113	20	0		DAADMM
C[C@]1(C2CCN(C(=O)CCc3nn[n-]n3)CC2)NC(=O)NC1=O	ZINC001293999258	777977512	/nfs/dbraw/zinc/97/75/12/777977512.db2.gz	GRUIUDHJRZDMBF-CYBMUJFWSA-N	-1	1	321.341	-1.031	20	0		DAADMM
CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)CCc2nn[n-]n2)C1=O	ZINC001294364843	777983590	/nfs/dbraw/zinc/98/35/90/777983590.db2.gz	GMJVVUKERHJPEN-ISVAXAHUSA-N	-1	1	321.341	-1.031	20	0		DAADMM
CN(CCNC(=O)CCn1cc[n-]c(=O)c1=O)C(=O)C1CC1	ZINC001296153545	778019571	/nfs/dbraw/zinc/01/95/71/778019571.db2.gz	VBFPNCSIOQKCKY-UHFFFAOYSA-N	-1	1	308.338	-1.089	20	0		DAADMM
C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C1N=NC(=O)N1C	ZINC001300075309	778094229	/nfs/dbraw/zinc/09/42/29/778094229.db2.gz	VNGRHLCSFKBLHC-SSDOTTSWSA-N	-1	1	308.298	-1.362	20	0		DAADMM
CN(CC(=O)NN1CC(=O)[N-]C1=O)[C@@H]1CCS(=O)(=O)C1	ZINC001306327720	778101074	/nfs/dbraw/zinc/10/10/74/778101074.db2.gz	IQYNNLHQRXZALR-SSDOTTSWSA-N	-1	1	304.328	-2.312	20	0		DAADMM
O=C(NN1CC(=O)[N-]C1=O)c1ccc2c(c1)NC(=O)CNC2=O	ZINC001306329705	778101133	/nfs/dbraw/zinc/10/11/33/778101133.db2.gz	ZAFTVHQZVQYRQN-UHFFFAOYSA-N	-1	1	317.261	-1.435	20	0		DAADMM
O=C(C[C@H]1CC(=O)NC1=O)N1CCSC[C@@H]1c1nn[n-]n1	ZINC001138437049	779612174	/nfs/dbraw/zinc/61/21/74/779612174.db2.gz	DURGQMKMOJCZHV-RNFRBKRXSA-N	-1	1	310.339	-1.131	20	0		DAADMM
O=C(CN1C(=O)CNC1=O)N1CCSC[C@@H]1c1nn[n-]n1	ZINC001138437422	779612619	/nfs/dbraw/zinc/61/26/19/779612619.db2.gz	HUXADFBIZAKXCJ-ZCFIWIBFSA-N	-1	1	311.327	-1.632	20	0		DAADMM
Cc1nc([C@H](C)NCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n[nH]1	ZINC001149160843	779614513	/nfs/dbraw/zinc/61/45/13/779614513.db2.gz	ILIQLPXLUAEFQT-LURJTMIESA-N	-1	1	310.318	-1.417	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)NCCNCc1n[nH]c(C2CC2)n1	ZINC001149161021	779614695	/nfs/dbraw/zinc/61/46/95/779614695.db2.gz	LSEURGIWKZOXQH-UHFFFAOYSA-N	-1	1	322.329	-1.409	20	0		DAADMM
CC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1[n-]c(=O)nc2nc[nH]c21	ZINC001143037516	779625906	/nfs/dbraw/zinc/62/59/06/779625906.db2.gz	FSRFMVQKXCTHQD-RQJHMYQMSA-N	-1	1	306.282	-1.021	20	0		DAADMM
NC(=O)c1nccnc1C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001150450251	779658707	/nfs/dbraw/zinc/65/87/07/779658707.db2.gz	GAEGLIOKFAYMOB-UHFFFAOYSA-N	-1	1	306.286	-2.081	20	0		DAADMM
CC(=O)N1CCC(C(=O)NCCNCc2n[nH]c(=O)[n-]2)CC1	ZINC001150526986	779662309	/nfs/dbraw/zinc/66/23/09/779662309.db2.gz	WEUUCRPUYWPHOZ-UHFFFAOYSA-N	-1	1	310.358	-1.025	20	0		DAADMM
CN1C(=O)CN(NC(=O)CNC(=O)c2ncccc2[O-])C1=O	ZINC001151236029	779674539	/nfs/dbraw/zinc/67/45/39/779674539.db2.gz	GTXKBMUJLTXGIK-UHFFFAOYSA-N	-1	1	307.266	-1.558	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)[C@@H]1CCc2nncn2C1	ZINC001152157136	779688513	/nfs/dbraw/zinc/68/85/13/779688513.db2.gz	RWYOXBZTRYZCHI-MRVPVSSYSA-N	-1	1	306.330	-1.430	20	0		DAADMM
CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)CCCc1nn[n-]n1	ZINC001153725402	779709509	/nfs/dbraw/zinc/70/95/09/779709509.db2.gz	DKIIHSSZWKZCKE-UHFFFAOYSA-N	-1	1	317.313	-1.088	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCn1ccc(=O)[nH]c1=O	ZINC001155049026	779729260	/nfs/dbraw/zinc/72/92/60/779729260.db2.gz	RKZAMUBCAOPPBB-UHFFFAOYSA-N	-1	1	321.293	-1.995	20	0		DAADMM
O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC[C@H](Cc2nn[n-]n2)C1	ZINC001155127079	779730305	/nfs/dbraw/zinc/73/03/05/779730305.db2.gz	GWWGSCJKBKGJOJ-BDAKNGLRSA-N	-1	1	321.341	-1.031	20	0		DAADMM
Cn1cc(CNCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)nn1	ZINC001161863322	779847033	/nfs/dbraw/zinc/84/70/33/779847033.db2.gz	INRXFIFDDMONOG-UHFFFAOYSA-N	-1	1	308.302	-1.679	20	0		DAADMM
Cn1nnnc1CNCCCNC(=O)c1cnc([O-])n(C)c1=O	ZINC001163781423	779870831	/nfs/dbraw/zinc/87/08/31/779870831.db2.gz	IOWIQVNNLCAASV-UHFFFAOYSA-N	-1	1	322.329	-2.081	20	0		DAADMM
Cn1cnnc1CNCCCNC(=O)c1cnc([O-])n(C)c1=O	ZINC001163782170	779871001	/nfs/dbraw/zinc/87/10/01/779871001.db2.gz	ZHDKLAVDROBRNG-UHFFFAOYSA-N	-1	1	321.341	-1.476	20	0		DAADMM
O=C(Cn1ncnn1)NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1	ZINC001164555859	779879729	/nfs/dbraw/zinc/87/97/29/779879729.db2.gz	PQTAJGTXNVGTSH-UHFFFAOYSA-N	-1	1	321.345	-1.427	20	0		DAADMM
CNC(=O)NCC(=O)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001208285311	779936539	/nfs/dbraw/zinc/93/65/39/779936539.db2.gz	HLSKZNPGMCINFP-MRVPVSSYSA-N	-1	1	311.346	-1.480	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C	ZINC001208301357	779937646	/nfs/dbraw/zinc/93/76/46/779937646.db2.gz	AOVROIJISWFELV-IVZWLZJFSA-N	-1	1	324.385	-1.444	20	0		DAADMM
CN1CC=C(n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)CC1	ZINC001208741178	779944266	/nfs/dbraw/zinc/94/42/66/779944266.db2.gz	FSZCPRRZSIICEC-UHFFFAOYSA-N	-1	1	316.343	-1.115	20	0		DAADMM
NC(=O)NCCC(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001211001589	779966433	/nfs/dbraw/zinc/96/64/33/779966433.db2.gz	NPKCZAZJCYXFJM-QMMMGPOBSA-N	-1	1	311.346	-1.351	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CCCC(N)=O	ZINC001211463524	779971917	/nfs/dbraw/zinc/97/19/17/779971917.db2.gz	UIVXTGMLLFMDQT-NXEZZACHSA-N	-1	1	324.385	-1.300	20	0		DAADMM
CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001214181209	779991586	/nfs/dbraw/zinc/99/15/86/779991586.db2.gz	IQRXBBDWXFEAIB-PSASIEDQSA-N	-1	1	310.358	-1.075	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001215316873	780006358	/nfs/dbraw/zinc/00/63/58/780006358.db2.gz	OSOFGXCAUQFUMY-DJLDLDEBSA-N	-1	1	310.358	-1.042	20	0		DAADMM
C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001216109097	780013172	/nfs/dbraw/zinc/01/31/72/780013172.db2.gz	LEOOOSRPONTZNQ-PSASIEDQSA-N	-1	1	322.369	-1.027	20	0		DAADMM
CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001219243278	780071026	/nfs/dbraw/zinc/07/10/26/780071026.db2.gz	ZOGPFCKSBOFOKU-BBBLOLIVSA-N	-1	1	313.358	-1.805	20	0		DAADMM
CC(C)[C@@H](O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001219560682	780117892	/nfs/dbraw/zinc/11/78/92/780117892.db2.gz	KPIQOGBCRJMDFQ-WCABBAIRSA-N	-1	1	313.358	-2.213	20	0		DAADMM
C[C@H]1[C@H](NC(=O)[C@@H](N)COC(C)(C)C)C(=O)N1S(=O)(=O)[O-]	ZINC001220101670	780178094	/nfs/dbraw/zinc/17/80/94/780178094.db2.gz	XDTGIWCDPIHSHA-FXQIFTODSA-N	-1	1	323.371	-1.353	20	0		DAADMM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@@H](N)CO	ZINC001220105295	780178865	/nfs/dbraw/zinc/17/88/65/780178865.db2.gz	ZUFULZHRVKEKDB-FXQIFTODSA-N	-1	1	319.314	-2.667	20	0		DAADMM
CC(=O)OC[C@H](N)C(=O)NC(=N)SCCS(=O)(=O)[O-]	ZINC001220127393	780181494	/nfs/dbraw/zinc/18/14/94/780181494.db2.gz	SSLUMPXHZPPDDE-LURJTMIESA-N	-1	1	313.357	-1.451	20	0		DAADMM
NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC001220252282	780196737	/nfs/dbraw/zinc/19/67/37/780196737.db2.gz	UNRVUZGSOOYPDO-JTQLQIEISA-N	-1	1	318.337	-1.187	20	0		DAADMM
CCOCCN1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](O)C1	ZINC001220855939	780252590	/nfs/dbraw/zinc/25/25/90/780252590.db2.gz	UQWZSOGDVAAIDZ-BDAKNGLRSA-N	-1	1	315.330	-2.113	20	0		DAADMM
NC(=O)NCCC[C@@H](N)C(=O)n1[n-]c2ccnc(=O)c-2c1N	ZINC001221237775	780284802	/nfs/dbraw/zinc/28/48/02/780284802.db2.gz	YUQIIPXAARCNFU-ZCFIWIBFSA-N	-1	1	307.314	-1.326	20	0		DAADMM
O=C([O-])C[C@@H](C(=O)OCCC[NH+]1CCOCC1)[C@@H](O)C(=O)[O-]	ZINC001224868330	780324670	/nfs/dbraw/zinc/32/46/70/780324670.db2.gz	SMHRNQLPTDWSHC-MWLCHTKSSA-N	-1	1	319.310	-1.212	20	0		DAADMM
CC(=O)NCC(=O)NC1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001225824193	780327923	/nfs/dbraw/zinc/32/79/23/780327923.db2.gz	SLLOANGLOFXXFA-UHFFFAOYSA-N	-1	1	310.358	-1.675	20	0		DAADMM
CCC(=O)NCC(=O)NC1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001226608540	780334446	/nfs/dbraw/zinc/33/44/46/780334446.db2.gz	KRDJCICEXVLWJQ-UHFFFAOYSA-N	-1	1	324.385	-1.285	20	0		DAADMM
COC(=O)CN1C[C@H](Oc2nc3c([n-]2)[nH]c(=O)[nH]c3=O)CC1=O	ZINC001227430185	780340390	/nfs/dbraw/zinc/34/03/90/780340390.db2.gz	JICKWSUUQGEXPT-RXMQYKEDSA-N	-1	1	323.265	-1.083	20	0		DAADMM
Cn1[n-]nnc1=NC(=O)C1=NO[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]12	ZINC001277277244	780345574	/nfs/dbraw/zinc/34/55/74/780345574.db2.gz	AEVUHCKOTPLTAB-LPEHRKFASA-N	-1	1	321.341	-1.706	20	0		DAADMM
Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(Cc1c[nH]nn1)C2	ZINC001277375354	780355149	/nfs/dbraw/zinc/35/51/49/780355149.db2.gz	KUEQMDAGLZGHRQ-UHFFFAOYSA-N	-1	1	315.301	-1.759	20	0		DAADMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)Cn1nccn1	ZINC001234574262	780410660	/nfs/dbraw/zinc/41/06/60/780410660.db2.gz	QSVKQJIOVBIXQF-SNVBAGLBSA-N	-1	1	320.357	-1.567	20	0		DAADMM
C[S@@](=O)CCCNC(=S)Nc1c(O)[nH]c(=O)[n-]c1=S	ZINC001246693245	780456959	/nfs/dbraw/zinc/45/69/59/780456959.db2.gz	CJODXKAICJYBJW-WZNIZKBGSA-N	-1	1	322.437	-1.246	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCN1C(=O)CNC1=O	ZINC001251828184	780467693	/nfs/dbraw/zinc/46/76/93/780467693.db2.gz	JCHQFLMPNOGAFS-UHFFFAOYSA-N	-1	1	309.282	-2.405	20	0		DAADMM
NC(=O)CNC(=O)C[N-]S(=O)(=O)c1cc(F)ccc1F	ZINC001258951446	780523951	/nfs/dbraw/zinc/52/39/51/780523951.db2.gz	IPKDAFXVWWBQPP-UHFFFAOYSA-N	-1	1	307.278	-1.155	20	0		DAADMM
NS(=O)(=O)[N-]c1ncnc2c1ncn2[C@H]1C=C[C@@H](CO)O1	ZINC001260074657	780528924	/nfs/dbraw/zinc/52/89/24/780528924.db2.gz	NEZIRQZTKLXENX-NKWVEPMBSA-N	-1	1	312.311	-1.112	20	0		DAADMM
O=C(/C=C/CN1CCOCC1)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001262185652	780568239	/nfs/dbraw/zinc/56/82/39/780568239.db2.gz	XAIFBLNJKHTSKJ-FMBMQGQPSA-N	-1	1	308.342	-1.012	20	0		DAADMM
NC(=O)CN1CCC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001265228913	780593345	/nfs/dbraw/zinc/59/33/45/780593345.db2.gz	MECAODPVFKWNDU-JTQLQIEISA-N	-1	1	323.353	-2.007	20	0		DAADMM
Cn1nnc(CNCCN(CCO)C(=O)c2ncccc2[O-])n1	ZINC001279695023	780626279	/nfs/dbraw/zinc/62/62/79/780626279.db2.gz	FWXAUJYENYRNKX-UHFFFAOYSA-N	-1	1	321.341	-1.465	20	0		DAADMM
CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001281390455	780681828	/nfs/dbraw/zinc/68/18/28/780681828.db2.gz	LQXNTPJVSQTZFD-DTWKUNHWSA-N	-1	1	310.358	-1.027	20	0		DAADMM
CCNC(=O)CC(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H](C)C1	ZINC001281390457	780681966	/nfs/dbraw/zinc/68/19/66/780681966.db2.gz	LQXNTPJVSQTZFD-IUCAKERBSA-N	-1	1	310.358	-1.027	20	0		DAADMM
NC(=O)C(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])CCCO1	ZINC001281469589	780683172	/nfs/dbraw/zinc/68/31/72/780683172.db2.gz	OFHUMMNROAEEGA-VIFPVBQESA-N	-1	1	322.321	-1.380	20	0		DAADMM
C[C@@H](CNC(=O)C1(C(N)=O)CC1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001282449401	780709511	/nfs/dbraw/zinc/70/95/11/780709511.db2.gz	MGWRPUTUPAVDPN-QMMMGPOBSA-N	-1	1	310.358	-1.690	20	0		DAADMM
O=C(CN1C(=O)CCC1=O)NCCNC(=O)c1ncccc1[O-]	ZINC001282982775	780729160	/nfs/dbraw/zinc/72/91/60/780729160.db2.gz	APJKNTYRVCKFCK-UHFFFAOYSA-N	-1	1	320.305	-1.218	20	0		DAADMM
CC(=O)N[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)C1CC1	ZINC001283949556	780789666	/nfs/dbraw/zinc/78/96/66/780789666.db2.gz	XDCGGLFPKUYYJA-NSHDSACASA-N	-1	1	308.338	-1.042	20	0		DAADMM
Cn1cnnc1COCC(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001146208919	781411783	/nfs/dbraw/zinc/41/17/83/781411783.db2.gz	RICMWKYVFFOYED-UHFFFAOYSA-N	-1	1	310.318	-1.939	20	0		DAADMM
COCc1n[nH]c(CNC(=O)CCn2cc[n-]c(=O)c2=O)n1	ZINC001146246433	781411919	/nfs/dbraw/zinc/41/19/19/781411919.db2.gz	BMOOBTIDURNBMZ-UHFFFAOYSA-N	-1	1	308.298	-1.492	20	0		DAADMM
CNC(=O)CC(=O)N1CC2(C1)CCN(Cc1nc(=O)n(C)[n-]1)C2	ZINC001147445888	781443780	/nfs/dbraw/zinc/44/37/80/781443780.db2.gz	NDNOMZPLNWFXAZ-UHFFFAOYSA-N	-1	1	322.369	-1.721	20	0		DAADMM
CN1CCCC[C@@H](C(=O)NCCNCc2n[nH]c(=O)[n-]2)C1=O	ZINC001147634879	781448855	/nfs/dbraw/zinc/44/88/55/781448855.db2.gz	XJMOZJGSGARQHX-VIFPVBQESA-N	-1	1	310.358	-1.025	20	0		DAADMM
Cc1nnc(CNCCNC(=O)c2cc(=O)n3[n-]cnc3n2)o1	ZINC001147711740	781454439	/nfs/dbraw/zinc/45/44/39/781454439.db2.gz	DOZZWPOXERZRJT-UHFFFAOYSA-N	-1	1	318.297	-1.371	20	0		DAADMM
O=C(NCCNCc1ccon1)c1cc(=O)n2[n-]cnc2n1	ZINC001147712635	781454631	/nfs/dbraw/zinc/45/46/31/781454631.db2.gz	TZSLSUDUKSHXAM-UHFFFAOYSA-N	-1	1	303.282	-1.075	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCNCc1nnnn1C	ZINC001147698183	781455027	/nfs/dbraw/zinc/45/50/27/781455027.db2.gz	GGTCJCBBRSVEAB-UHFFFAOYSA-N	-1	1	324.301	-2.061	20	0		DAADMM
Cn1nnc(CNCCNC(=O)c2cc(=O)n3[n-]cnc3n2)n1	ZINC001147711675	781455629	/nfs/dbraw/zinc/45/56/29/781455629.db2.gz	ALNXCNACGNHQTJ-UHFFFAOYSA-N	-1	1	318.301	-2.539	20	0		DAADMM
Cn1cnnc1CNCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001147706276	781455928	/nfs/dbraw/zinc/45/59/28/781455928.db2.gz	USFBLXPNSTXUPN-UHFFFAOYSA-N	-1	1	317.313	-1.934	20	0		DAADMM
COCC(=O)NC[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CCCO1	ZINC001148941689	781481347	/nfs/dbraw/zinc/48/13/47/781481347.db2.gz	VNQZFIFPTNQVQB-SNVBAGLBSA-N	-1	1	313.358	-1.538	20	0		DAADMM
C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@@H]1COC(=O)N1	ZINC001092579959	781501383	/nfs/dbraw/zinc/50/13/83/781501383.db2.gz	DFUBVZXHCVGNPL-HLTSFMKQSA-N	-1	1	324.341	-1.197	20	0		DAADMM
C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@H]1CCNC1=O	ZINC001092884120	781502565	/nfs/dbraw/zinc/50/25/65/781502565.db2.gz	SWDFWTDYGGGFGY-BBBLOLIVSA-N	-1	1	322.369	-1.170	20	0		DAADMM
C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1	ZINC001093143602	781504853	/nfs/dbraw/zinc/50/48/53/781504853.db2.gz	REHZVPAGEJXISE-BBBLOLIVSA-N	-1	1	322.369	-1.027	20	0		DAADMM
C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1	ZINC001092928301	781505511	/nfs/dbraw/zinc/50/55/11/781505511.db2.gz	JPVMINMICSVXNG-HLTSFMKQSA-N	-1	1	323.357	-1.624	20	0		DAADMM
CCC(=O)N[C@@H]1CC(=O)N(C2CN(Cc3nc(=O)n(C)[n-]3)C2)C1	ZINC001094684311	781555091	/nfs/dbraw/zinc/55/50/91/781555091.db2.gz	VTYZDXORYGFXSH-SECBINFHSA-N	-1	1	322.369	-1.580	20	0		DAADMM
O=C(N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1)c1ncccc1[O-]	ZINC001094730396	781561271	/nfs/dbraw/zinc/56/12/71/781561271.db2.gz	AESGIWCGFFNWDE-SNVBAGLBSA-N	-1	1	320.349	-1.206	20	0		DAADMM
Cn1nnnc1CNCCCNC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001174706810	781598575	/nfs/dbraw/zinc/59/85/75/781598575.db2.gz	XIBJQFHEBVKTCW-UHFFFAOYSA-N	-1	1	311.306	-2.491	20	0		DAADMM
COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)Cc1nn[n-]n1	ZINC001176840819	781624223	/nfs/dbraw/zinc/62/42/23/781624223.db2.gz	NYAUKUNFHMQQFY-YLWLKBPMSA-N	-1	1	315.311	-1.642	20	0		DAADMM
CNC(=O)NCC(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001178850306	781654447	/nfs/dbraw/zinc/65/44/47/781654447.db2.gz	VEBZBZGGCAWRIK-YUMQZZPRSA-N	-1	1	311.346	-1.482	20	0		DAADMM
CN1C(=O)C[C@@H](C(=O)Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)NC1=O	ZINC001181136585	781683729	/nfs/dbraw/zinc/68/37/29/781683729.db2.gz	VXXVFRIXPMOWRY-VKHMYHEASA-N	-1	1	321.253	-1.406	20	0		DAADMM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]1CN(C)CCN1C	ZINC001185262107	781756753	/nfs/dbraw/zinc/75/67/53/781756753.db2.gz	JTESGCMFKZTHCZ-UWVGGRQHSA-N	-1	1	301.343	-1.245	20	0		DAADMM
NC(=O)C([N-]S(=O)(=O)Cc1cc(F)cc(F)c1)C(N)=O	ZINC001185154731	781757690	/nfs/dbraw/zinc/75/76/90/781757690.db2.gz	XZTBPDAFVOVEKF-UHFFFAOYSA-N	-1	1	307.278	-1.277	20	0		DAADMM
CN(CC(=O)N1CCN2CC[C@H]2C1)C(N)=[NH+]P(=O)([O-])[O-]	ZINC001185662213	781763605	/nfs/dbraw/zinc/76/36/05/781763605.db2.gz	QOHHAYWESUDAIG-QMMMGPOBSA-N	-1	1	305.275	-1.548	20	0		DAADMM
O=C(CNC(=O)[C@@H]1CCC(=O)N1)Nc1[n-]c(=O)nc2nc[nH]c21	ZINC001187524606	781800398	/nfs/dbraw/zinc/80/03/98/781800398.db2.gz	RPBPLCWESAZSNW-YFKPBYRVSA-N	-1	1	319.281	-1.608	20	0		DAADMM
NC(=O)C([N-]S(=O)(=O)Cc1cc(F)ccc1F)C(N)=O	ZINC001189706238	781849832	/nfs/dbraw/zinc/84/98/32/781849832.db2.gz	MZSCWUJNUZQIPG-UHFFFAOYSA-N	-1	1	307.278	-1.277	20	0		DAADMM
NC(=O)[C@@H](CO)NC(=O)c1cnc(-c2ccccn2)[n-]c1=O	ZINC001190629795	781872990	/nfs/dbraw/zinc/87/29/90/781872990.db2.gz	XQWHHTRFNWPWEK-SECBINFHSA-N	-1	1	303.278	-1.180	20	0		DAADMM
O=C(NC(CO)(CO)CO)c1cnc(-c2ccccn2)[n-]c1=O	ZINC001190629109	781873315	/nfs/dbraw/zinc/87/33/15/781873315.db2.gz	IVZMTBCJWCWFDU-UHFFFAOYSA-N	-1	1	320.305	-1.310	20	0		DAADMM
COCCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001191328572	781908411	/nfs/dbraw/zinc/90/84/11/781908411.db2.gz	WCWQOHRYNSGPRP-NXEZZACHSA-N	-1	1	313.358	-1.804	20	0		DAADMM
COC(=O)CNC(=O)CNC(=O)c1cnc(SC)[n-]c1=O	ZINC001191441230	781911678	/nfs/dbraw/zinc/91/16/78/781911678.db2.gz	RAIXCEMGFLDAKA-UHFFFAOYSA-N	-1	1	314.323	-1.077	20	0		DAADMM
CSc1ncc(C(=O)N2CN[C@H](N)[C@@H]3NCN[C@H]32)c(=O)[n-]1	ZINC001191440915	781912034	/nfs/dbraw/zinc/91/20/34/781912034.db2.gz	OVGQRHZPBHFDRW-FXQIFTODSA-N	-1	1	311.371	-1.963	20	0		DAADMM
COC(=O)NCC(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001377126926	921770449	/nfs/dbraw/zinc/77/04/49/921770449.db2.gz	DSOBTJQCFYFJMG-UHFFFAOYSA-N	-1	1	300.319	-1.988	20	0		DAADMM
CCC(=O)N[C@@H](C)C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001377161597	921775444	/nfs/dbraw/zinc/77/54/44/921775444.db2.gz	LSIHVMAISMPPLN-VIFPVBQESA-N	-1	1	312.374	-1.429	20	0		DAADMM
CN(CCNC(=O)C[C@@H]1CCC(=O)NC1)Cc1nc(=O)n(C)[n-]1	ZINC001377167106	921778160	/nfs/dbraw/zinc/77/81/60/921778160.db2.gz	NITGTOMUUZBQBO-JTQLQIEISA-N	-1	1	324.385	-1.427	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1	ZINC000971466511	916087945	/nfs/dbraw/zinc/08/79/45/916087945.db2.gz	WYIXYRGDVXYXQU-SECBINFHSA-N	-1	1	320.357	-1.417	20	0		DAADMM
CNC(=O)NCC(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001114370915	916131175	/nfs/dbraw/zinc/13/11/75/916131175.db2.gz	ARFDFCLWGWATHP-VROVMSAKSA-N	-1	1	323.357	-2.416	20	0		DAADMM
NC(=O)C([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(N)=O	ZINC001259042553	916175245	/nfs/dbraw/zinc/17/52/45/916175245.db2.gz	ZOCDNUCIGDXFKH-UHFFFAOYSA-N	-1	1	311.241	-1.279	20	0		DAADMM
NC(=O)C([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(N)=O	ZINC001259081423	916175349	/nfs/dbraw/zinc/17/53/49/916175349.db2.gz	SZJXPQOLKQJOQN-UHFFFAOYSA-N	-1	1	311.241	-1.279	20	0		DAADMM
COC(=O)CS(=O)(=O)[N-]C1(C(=O)OC)CCN(C)CC1	ZINC001259031529	916175703	/nfs/dbraw/zinc/17/57/03/916175703.db2.gz	PAGOGXPQSCGPDB-UHFFFAOYSA-N	-1	1	308.356	-1.284	20	0		DAADMM
COC(=O)NCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC	ZINC001309496071	916203684	/nfs/dbraw/zinc/20/36/84/916203684.db2.gz	GAXAHBBSBSHVNG-UHFFFAOYSA-N	-1	1	306.300	-1.169	20	0		DAADMM
CNC(=O)CCCCC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001318093363	916369174	/nfs/dbraw/zinc/36/91/74/916369174.db2.gz	LGQBOLLTSABTHI-UHFFFAOYSA-N	-1	1	324.385	-1.285	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)CCCCC(N)=O)C2)nc1=O	ZINC001318170134	916378169	/nfs/dbraw/zinc/37/81/69/916378169.db2.gz	YSJZNAGLMINBKA-UHFFFAOYSA-N	-1	1	324.385	-1.298	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)C3(C(N)=O)CC3)C2)nc1=O	ZINC001318273425	916382176	/nfs/dbraw/zinc/38/21/76/916382176.db2.gz	RMEVEWIWXSHUOZ-QMMMGPOBSA-N	-1	1	308.342	-1.936	20	0		DAADMM
O=C(CCN1C(=O)CCC1=O)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001318366774	916388539	/nfs/dbraw/zinc/38/85/39/916388539.db2.gz	KTCKAQPZPIADHP-QMMMGPOBSA-N	-1	1	308.298	-1.361	20	0		DAADMM
Cc1nc2n(n1)C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)CC2	ZINC001318499379	916398177	/nfs/dbraw/zinc/39/81/77/916398177.db2.gz	KXLRUINPGPZESJ-SNVBAGLBSA-N	-1	1	318.337	-1.042	20	0		DAADMM
NC(=O)[C@@H]1CC[C@@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)O1	ZINC001319110716	916420298	/nfs/dbraw/zinc/42/02/98/916420298.db2.gz	JAKVKLZVOCCIHH-IUCAKERBSA-N	-1	1	310.310	-1.924	20	0		DAADMM
NC(=O)[C@H]1CC[C@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)O1	ZINC001319110717	916421168	/nfs/dbraw/zinc/42/11/68/916421168.db2.gz	JAKVKLZVOCCIHH-RKDXNWHRSA-N	-1	1	310.310	-1.924	20	0		DAADMM
C[C@H](CNCc1cc(=O)n2[n-]ccc2n1)N(C)C(=O)C(N)=O	ZINC001319524122	916439752	/nfs/dbraw/zinc/43/97/52/916439752.db2.gz	UDGDRQDXNXAXAA-MRVPVSSYSA-N	-1	1	306.326	-1.556	20	0		DAADMM
CN(CCN(C)C(=O)CCn1cc[n-]c(=O)c1=O)CC(N)=O	ZINC001320061717	916465080	/nfs/dbraw/zinc/46/50/80/916465080.db2.gz	NEDBVVCITMCGRK-UHFFFAOYSA-N	-1	1	311.342	-2.198	20	0		DAADMM
CNC(=O)Cn1cc(NC(=O)CCn2cc[n-]c(=O)c2=O)cn1	ZINC001321772154	916597330	/nfs/dbraw/zinc/59/73/30/916597330.db2.gz	HFZYMURFCPECFP-UHFFFAOYSA-N	-1	1	320.309	-1.492	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCC1(O)CCOCC1	ZINC001322405932	916634435	/nfs/dbraw/zinc/63/44/35/916634435.db2.gz	ONIXRZZLGRIZKX-UHFFFAOYSA-N	-1	1	311.338	-1.026	20	0		DAADMM
O=C(c1ccc2nnnn2c1)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001322508827	916638759	/nfs/dbraw/zinc/63/87/59/916638759.db2.gz	GCMKVXZEBDQCKR-MRVPVSSYSA-N	-1	1	301.270	-1.149	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)C(=O)NC[C@H]3COCCO3)ccnc1-2	ZINC001323186923	916699390	/nfs/dbraw/zinc/69/93/90/916699390.db2.gz	GVFLGAZTEOWAJX-VIFPVBQESA-N	-1	1	319.321	-1.188	20	0		DAADMM
Cn1cc(C(=O)NCCCc2nc([O-])n[nH]2)c(=O)n(C)c1=O	ZINC001323515412	916729287	/nfs/dbraw/zinc/72/92/87/916729287.db2.gz	WGBIBOQOXJHDPV-UHFFFAOYSA-N	-1	1	308.298	-1.730	20	0		DAADMM
O=C(CNS(=O)(=O)c1ccccc1)NN1CC(=O)[N-]C1=O	ZINC001324158322	916767598	/nfs/dbraw/zinc/76/75/98/916767598.db2.gz	QCQYTUFZWKWSPI-UHFFFAOYSA-N	-1	1	312.307	-1.452	20	0		DAADMM
CN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)C1=O	ZINC001324908203	916800219	/nfs/dbraw/zinc/80/02/19/916800219.db2.gz	XZUQFYWMYNOMCV-SSDOTTSWSA-N	-1	1	321.297	-1.674	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CC[C@]2(CNC(=O)C2)C1	ZINC001324903958	916801018	/nfs/dbraw/zinc/80/10/18/916801018.db2.gz	YYUJVVILDWJZDX-AWEZNQCLSA-N	-1	1	306.322	-1.335	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)[C@H]3CCNC3=O)C2)nc1=O	ZINC001325247804	916834069	/nfs/dbraw/zinc/83/40/69/916834069.db2.gz	WRNBQFDLYXCODM-QMMMGPOBSA-N	-1	1	324.341	-3.093	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)[C@@H]3CCNC3=O)C2)nc1=O	ZINC001325247802	916834588	/nfs/dbraw/zinc/83/45/88/916834588.db2.gz	WRNBQFDLYXCODM-MRVPVSSYSA-N	-1	1	324.341	-3.093	20	0		DAADMM
Cc1nn(C)cc1C(=O)N(CCO)CCNCc1n[nH]c(=O)[n-]1	ZINC001325997184	916880348	/nfs/dbraw/zinc/88/03/48/916880348.db2.gz	FKGDYTWLECBGKE-UHFFFAOYSA-N	-1	1	323.357	-1.223	20	0		DAADMM
COCCN1CC[C@@H](NC(=O)C(=O)[N-]OC[C@H]2CCOC2)C1	ZINC001326493654	916923542	/nfs/dbraw/zinc/92/35/42/916923542.db2.gz	UKHMKBKYIZJQGF-NWDGAFQWSA-N	-1	1	315.370	-1.092	20	0		DAADMM
CNC(=O)[C@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001328076478	917059944	/nfs/dbraw/zinc/05/99/44/917059944.db2.gz	SCQHTFCKRHMWDV-JTQLQIEISA-N	-1	1	308.338	-1.089	20	0		DAADMM
C[C@@H]1COCCN1CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001328051070	917060573	/nfs/dbraw/zinc/06/05/73/917060573.db2.gz	IEMRGVSNCRZRPL-LLVKDONJSA-N	-1	1	310.354	-1.236	20	0		DAADMM
C[C@@H]1C[C@@H](NC(=O)CC(N)=O)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001328247622	917074567	/nfs/dbraw/zinc/07/45/67/917074567.db2.gz	ZMIMUUAKIBRYTQ-BDAKNGLRSA-N	-1	1	310.358	-1.547	20	0		DAADMM
CC(C)NC(=O)CNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001329042420	917136197	/nfs/dbraw/zinc/13/61/97/917136197.db2.gz	VEBHSTNAVQRRON-UHFFFAOYSA-N	-1	1	318.337	-1.079	20	0		DAADMM
CN1C(=O)CN(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)C1=O	ZINC001331505365	917298568	/nfs/dbraw/zinc/29/85/68/917298568.db2.gz	UOIAZOHYKUIMCD-MRVPVSSYSA-N	-1	1	307.314	-1.200	20	0		DAADMM
COC(=O)[C@]1(NC(=O)CCn2cc[n-]c(=O)c2=O)CCOC1	ZINC001332026452	917349398	/nfs/dbraw/zinc/34/93/98/917349398.db2.gz	KHPDUUOWJCPUMH-ZDUSSCGKSA-N	-1	1	311.294	-1.625	20	0		DAADMM
COC[C@H]1CNCCN1C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001336937064	917606726	/nfs/dbraw/zinc/60/67/26/917606726.db2.gz	VZTOPSQZPVVSLL-GHMZBOCLSA-N	-1	1	313.354	-1.244	20	0		DAADMM
CN(CCN1CCOCC1)C(=O)[C@]1(C(=O)[O-])CNCCO1	ZINC001340959425	917746026	/nfs/dbraw/zinc/74/60/26/917746026.db2.gz	YJNYQPLJPIELIZ-ZDUSSCGKSA-N	-1	1	301.343	-1.780	20	0		DAADMM
COC[C@]1(C)CN(C(=O)[C@]2(C(=O)[O-])CNCCO2)CCO1	ZINC001342254235	917783020	/nfs/dbraw/zinc/78/30/20/917783020.db2.gz	CYAMPNDROBXHNK-STQMWFEESA-N	-1	1	302.327	-1.307	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)C(=O)N[C@@H]3CNC(=O)C3)ccnc1-2	ZINC001342426754	917784295	/nfs/dbraw/zinc/78/42/95/917784295.db2.gz	MUYVJQNIFHMMRV-ZETCQYMHSA-N	-1	1	302.294	-1.715	20	0		DAADMM
CS(=O)(=O)CCOCCNc1nc2[nH][n-]cc-2c(=O)n1	ZINC001342878501	917792073	/nfs/dbraw/zinc/79/20/73/917792073.db2.gz	SRUMLSMLPZRRCP-UHFFFAOYSA-N	-1	1	301.328	-1.095	20	0		DAADMM
CN(C)C(=O)CCNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001346466683	917887896	/nfs/dbraw/zinc/88/78/96/917887896.db2.gz	FPCLKKRPWFBCBV-UHFFFAOYSA-N	-1	1	318.337	-1.125	20	0		DAADMM
COCCC(=O)NCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001348290337	917932137	/nfs/dbraw/zinc/93/21/37/917932137.db2.gz	PVSBHIAWCAWOFA-UHFFFAOYSA-N	-1	1	312.326	-1.804	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCNC(=O)[C@H]1CCOC1	ZINC001348593898	917957188	/nfs/dbraw/zinc/95/71/88/917957188.db2.gz	BLXZKXCCIFTKPR-JTQLQIEISA-N	-1	1	324.337	-1.804	20	0		DAADMM
O=C(CN1CCNC(=O)C1)NCCNC(=O)c1ncccc1[O-]	ZINC001348839198	917974033	/nfs/dbraw/zinc/97/40/33/917974033.db2.gz	SXZRAADQIYXIEW-UHFFFAOYSA-N	-1	1	321.337	-1.935	20	0		DAADMM
COCC(=O)N(C)CC(=O)Nc1nc2nc(C)cc(=O)n2[n-]1	ZINC001361480538	918370415	/nfs/dbraw/zinc/37/04/15/918370415.db2.gz	FESYULLHOOPCQA-UHFFFAOYSA-N	-1	1	308.298	-1.231	20	0		DAADMM
Cc1cc(=O)n2[n-]c(NC(=O)CN(C)S(C)(=O)=O)nc2n1	ZINC001361583278	918379616	/nfs/dbraw/zinc/37/96/16/918379616.db2.gz	BKMVNCPBDCXSKE-UHFFFAOYSA-N	-1	1	314.327	-1.444	20	0		DAADMM
CC(C)(C)NS(=O)(=O)CCNC(=O)CCc1nn[n-]n1	ZINC001361646981	918386760	/nfs/dbraw/zinc/38/67/60/918386760.db2.gz	JQUMTJZUAYJOBQ-UHFFFAOYSA-N	-1	1	304.376	-1.034	20	0		DAADMM
NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cnncc2[O-])C1	ZINC001361655542	918389306	/nfs/dbraw/zinc/38/93/06/918389306.db2.gz	NFQDPUFSWADAMB-QMMMGPOBSA-N	-1	1	315.355	-1.173	20	0		DAADMM
O=C(C1CCS(=O)(=O)CC1)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001361779820	918404020	/nfs/dbraw/zinc/40/40/20/918404020.db2.gz	DPHYYUAYQYZBKW-VIFPVBQESA-N	-1	1	315.355	-1.076	20	0		DAADMM
Cn1cc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c(=O)[nH]c1=O	ZINC001361782980	918404516	/nfs/dbraw/zinc/40/45/16/918404516.db2.gz	JPMIGGRMFIWJIV-ZETCQYMHSA-N	-1	1	307.270	-1.787	20	0		DAADMM
O=C([C@@H]1CCCS1(=O)=O)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001361785109	918405025	/nfs/dbraw/zinc/40/50/25/918405025.db2.gz	RAVCWDMHHSUZAO-SFYZADRCSA-N	-1	1	301.328	-1.323	20	0		DAADMM
CCNC(=O)CN1CCN(C(=O)CCCc2nn[n-]n2)CC1	ZINC001361904173	918422903	/nfs/dbraw/zinc/42/29/03/918422903.db2.gz	LUFHGAUVSKHRRP-UHFFFAOYSA-N	-1	1	309.374	-1.197	20	0		DAADMM
CS(=O)(=O)CCCC(=O)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001361923950	918429043	/nfs/dbraw/zinc/42/90/43/918429043.db2.gz	JTZZJHWUUULGOZ-MRVPVSSYSA-N	-1	1	303.344	-1.076	20	0		DAADMM
O=C(CCc1nn[n-]n1)NCCS(=O)(=O)N1CCOCC1	ZINC001361953396	918430902	/nfs/dbraw/zinc/43/09/02/918430902.db2.gz	QCGTXIKRLZQZTC-UHFFFAOYSA-N	-1	1	318.359	-2.090	20	0		DAADMM
CN1CCN(C)[C@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001361965463	918432884	/nfs/dbraw/zinc/43/28/84/918432884.db2.gz	ZGADQFCTOYJXCQ-SNVBAGLBSA-N	-1	1	319.369	-1.567	20	0		DAADMM
O=C(CCc1nn[n-]n1)NCCS(=O)(=O)NCC1CCC1	ZINC001362119786	918461017	/nfs/dbraw/zinc/46/10/17/918461017.db2.gz	WDKMIKBABDLBCO-UHFFFAOYSA-N	-1	1	316.387	-1.032	20	0		DAADMM
O=C(CS(=O)(=O)C1CC1)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001362124684	918461454	/nfs/dbraw/zinc/46/14/54/918461454.db2.gz	NVDCXFKLKFWEHG-QMMMGPOBSA-N	-1	1	301.328	-1.323	20	0		DAADMM
Cc1cc(C)n(CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)c(=O)n1	ZINC001362243540	918482762	/nfs/dbraw/zinc/48/27/62/918482762.db2.gz	CWRDAUBBSYKTDO-JTQLQIEISA-N	-1	1	319.325	-1.027	20	0		DAADMM
C[C@@H](C(=O)NCc1nn[n-]n1)S(=O)(=O)C1CCOCC1	ZINC001362237927	918483912	/nfs/dbraw/zinc/48/39/12/918483912.db2.gz	PMTMZURNDNCSEL-ZETCQYMHSA-N	-1	1	303.344	-1.202	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(CO)COC2)o1	ZINC001362277605	918490538	/nfs/dbraw/zinc/49/05/38/918490538.db2.gz	LLLYBJFJXUEQTC-UHFFFAOYSA-N	-1	1	304.324	-1.074	20	0		DAADMM
O=C([C@@H]1CCS(=O)(=O)N1)N1CCSC[C@H]1c1nn[n-]n1	ZINC001362370331	918505612	/nfs/dbraw/zinc/50/56/12/918505612.db2.gz	VYYVBEGJSLGWPW-BQBZGAKWSA-N	-1	1	318.384	-1.492	20	0		DAADMM
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCSC[C@@H]2c2nn[n-]n2)O1	ZINC001362371023	918506149	/nfs/dbraw/zinc/50/61/49/918506149.db2.gz	XEVOQQKWVYQSOS-GJMOJQLCSA-N	-1	1	312.355	-1.151	20	0		DAADMM
CS(=O)(=O)N1CC(CNC(=O)CCCc2nn[n-]n2)C1	ZINC001362373057	918508702	/nfs/dbraw/zinc/50/87/02/918508702.db2.gz	HKRCWCMWYKJAON-UHFFFAOYSA-N	-1	1	302.360	-1.470	20	0		DAADMM
COCC(=O)NCCC(=O)N1CCSC[C@@H]1c1nn[n-]n1	ZINC001362403700	918513699	/nfs/dbraw/zinc/51/36/99/918513699.db2.gz	ASTPKHPPJDNLKO-MRVPVSSYSA-N	-1	1	314.371	-1.031	20	0		DAADMM
O=C(CN1CCOCC1=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001362438746	918521381	/nfs/dbraw/zinc/52/13/81/918521381.db2.gz	VHDXVVVVJHAACH-UHFFFAOYSA-N	-1	1	310.314	-2.132	20	0		DAADMM
NS(=O)(=O)[C@H]1CCCN(C(=O)CCCc2nn[n-]n2)C1	ZINC001362490533	918531999	/nfs/dbraw/zinc/53/19/99/918531999.db2.gz	QSYQHIOFDKGFPO-QMMMGPOBSA-N	-1	1	302.360	-1.198	20	0		DAADMM
CNS(=O)(=O)C1CCN(C(=O)CCc2nn[n-]n2)CC1	ZINC001362498611	918532081	/nfs/dbraw/zinc/53/20/81/918532081.db2.gz	WIAFHCSMDXTNGR-UHFFFAOYSA-N	-1	1	302.360	-1.328	20	0		DAADMM
O=C(CN1CCC(=O)NC1=O)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC001362534807	918541359	/nfs/dbraw/zinc/54/13/59/918541359.db2.gz	BWGJABDUYABGBW-MRVPVSSYSA-N	-1	1	307.314	-1.152	20	0		DAADMM
O=C(CCCc1nn[n-]n1)NC[C@@]1(O)CCS(=O)(=O)C1	ZINC001362559097	918550413	/nfs/dbraw/zinc/55/04/13/918550413.db2.gz	CQCPGEUBJWPIBM-JTQLQIEISA-N	-1	1	303.344	-1.812	20	0		DAADMM
Cn1nccc1COCC(=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001362561429	918550524	/nfs/dbraw/zinc/55/05/24/918550524.db2.gz	LSCUAWPQANADTO-UHFFFAOYSA-N	-1	1	321.341	-1.040	20	0		DAADMM
O=C(CCCc1nn[n-]n1)NC[C@]1(O)CCS(=O)(=O)C1	ZINC001362559098	918550666	/nfs/dbraw/zinc/55/06/66/918550666.db2.gz	CQCPGEUBJWPIBM-SNVBAGLBSA-N	-1	1	303.344	-1.812	20	0		DAADMM
COC(=O)[C@H]1CN(C)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001362572955	918552441	/nfs/dbraw/zinc/55/24/41/918552441.db2.gz	VNRDBTRXDNWAPM-QMMMGPOBSA-N	-1	1	313.314	-1.748	20	0		DAADMM
COC(=O)[C@@H]1CN(C)CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001362572954	918553357	/nfs/dbraw/zinc/55/33/57/918553357.db2.gz	VNRDBTRXDNWAPM-MRVPVSSYSA-N	-1	1	313.314	-1.748	20	0		DAADMM
CSCC[C@H](NC(=O)CCNC(=O)CO)c1nn[n-]n1	ZINC001362679450	918575803	/nfs/dbraw/zinc/57/58/03/918575803.db2.gz	DKYVSMKDVRBRIZ-ZETCQYMHSA-N	-1	1	302.360	-1.391	20	0		DAADMM
CS(=O)(=O)NCCC(=O)N1CCSC[C@@H]1c1nn[n-]n1	ZINC001362688733	918578158	/nfs/dbraw/zinc/57/81/58/918578158.db2.gz	VQXZHPNBKHLUCQ-SSDOTTSWSA-N	-1	1	320.400	-1.245	20	0		DAADMM
CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)CCc1nn[n-]n1	ZINC001362696383	918579596	/nfs/dbraw/zinc/57/95/96/918579596.db2.gz	SECYPZWZWHJDMH-IUCAKERBSA-N	-1	1	316.387	-1.034	20	0		DAADMM
CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)CCc1nn[n-]n1	ZINC001362696379	918580063	/nfs/dbraw/zinc/58/00/63/918580063.db2.gz	SECYPZWZWHJDMH-BDAKNGLRSA-N	-1	1	316.387	-1.034	20	0		DAADMM
O=C([C@@H]1CCCS1(=O)=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001362728119	918589099	/nfs/dbraw/zinc/58/90/99/918589099.db2.gz	UQZSOIIRKDTCRM-QMMMGPOBSA-N	-1	1	315.355	-1.413	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CC(S(N)(=O)=O)C2)co1	ZINC001362726509	918589619	/nfs/dbraw/zinc/58/96/19/918589619.db2.gz	HFMIGSIDOXJZKM-UHFFFAOYSA-N	-1	1	323.352	-1.699	20	0		DAADMM
Cn1ccnc1COCC(=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001362733637	918592758	/nfs/dbraw/zinc/59/27/58/918592758.db2.gz	YEHGYBUJGWYLEW-UHFFFAOYSA-N	-1	1	321.341	-1.040	20	0		DAADMM
O=C([C@@H]1CCS(=O)(=O)C1)N1CCOC[C@H]1c1nn[n-]n1	ZINC001362747334	918594907	/nfs/dbraw/zinc/59/49/07/918594907.db2.gz	IBTOPHVTJYEZJR-SFYZADRCSA-N	-1	1	301.328	-1.466	20	0		DAADMM
O=C([C@H]1CCS(=O)(=O)N1)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001362760457	918598267	/nfs/dbraw/zinc/59/82/67/918598267.db2.gz	LYWOAIVPJSKCBC-RNFRBKRXSA-N	-1	1	302.316	-2.209	20	0		DAADMM
Cn1cnn(CC(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)c1=O	ZINC001362902774	918639568	/nfs/dbraw/zinc/63/95/68/918639568.db2.gz	GOGVPKLTRZEFSU-SECBINFHSA-N	-1	1	306.330	-1.424	20	0		DAADMM
O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@@H](Cc2nn[n-]n2)C1	ZINC001362908331	918640839	/nfs/dbraw/zinc/64/08/39/918640839.db2.gz	SPEUYZSGLRZWBI-VIFPVBQESA-N	-1	1	319.325	-1.057	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CC[C@@H](O)[C@@H](O)C1	ZINC001363014838	918669259	/nfs/dbraw/zinc/66/92/59/918669259.db2.gz	XXGFOGXBUHFJLO-NGZCFLSTSA-N	-1	1	309.322	-1.093	20	0		DAADMM
O=C([C@@H]1CCc2nncn2C1)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001363030416	918673582	/nfs/dbraw/zinc/67/35/82/918673582.db2.gz	UOVMRUUBMMTWQR-SECBINFHSA-N	-1	1	318.341	-1.136	20	0		DAADMM
O=C([C@@H]1CCNC(=O)CC1)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001363026926	918674876	/nfs/dbraw/zinc/67/48/76/918674876.db2.gz	GSIGWWWRVDHOBX-VIFPVBQESA-N	-1	1	308.342	-1.074	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N1CC[C@@H](O)[C@H](CO)C1	ZINC001363078065	918684101	/nfs/dbraw/zinc/68/41/01/918684101.db2.gz	XKPODZSFZOZAHA-VHSXEESVSA-N	-1	1	309.322	-1.281	20	0		DAADMM
O=C([C@H]1CCC2N=NC(=O)N2C1)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001363116543	918695404	/nfs/dbraw/zinc/69/54/04/918695404.db2.gz	MJINHTUJUUWYQF-JGVFFNPUSA-N	-1	1	320.313	-1.341	20	0		DAADMM
CN(C(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)c1nn[n-]n1	ZINC001363153012	918707488	/nfs/dbraw/zinc/70/74/88/918707488.db2.gz	UIDHGCRPRNDWLO-IWSPIJDZSA-N	-1	1	320.313	-1.914	20	0		DAADMM
CSc1ncc(C(=O)N2CC(NS(N)(=O)=O)C2)c(=O)[n-]1	ZINC001363183718	918717639	/nfs/dbraw/zinc/71/76/39/918717639.db2.gz	LVQMTYHVZSCKRH-UHFFFAOYSA-N	-1	1	319.368	-1.478	20	0		DAADMM
O=C(C1=NN(CCO)C(=O)CC1)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001363202471	918719656	/nfs/dbraw/zinc/71/96/56/918719656.db2.gz	DDRXDMVLKQEJDX-SECBINFHSA-N	-1	1	323.313	-1.930	20	0		DAADMM
O=C([C@@H]1CCc2nncn2C1)N1CCOC[C@H]1c1nn[n-]n1	ZINC001363203061	918720934	/nfs/dbraw/zinc/72/09/34/918720934.db2.gz	HTIXSULANSEMFH-BDAKNGLRSA-N	-1	1	304.314	-1.046	20	0		DAADMM
O=C(CC1CS(=O)(=O)C1)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001363205783	918722186	/nfs/dbraw/zinc/72/21/86/918722186.db2.gz	YOCQGYZPMZBKTG-MRVPVSSYSA-N	-1	1	301.328	-1.466	20	0		DAADMM
O=C(CN1CCS(=O)(=O)CC1)N1CC[C@@H](c2nn[n-]n2)C1	ZINC001363304934	918755347	/nfs/dbraw/zinc/75/53/47/918755347.db2.gz	COWXTWGWMXWVJH-SECBINFHSA-N	-1	1	314.371	-1.754	20	0		DAADMM
O=C(c1cn(C(F)(F)CO)nn1)N1CC[C@H](c2nn[n-]n2)C1	ZINC001363315064	918756361	/nfs/dbraw/zinc/75/63/61/918756361.db2.gz	HBKXXKODQYTCLC-LURJTMIESA-N	-1	1	314.256	-1.038	20	0		DAADMM
COC(=O)[C@@]1(O)CCN(C(=O)CNC(=O)c2ncccc2[O-])C1	ZINC001363323127	918759940	/nfs/dbraw/zinc/75/99/40/918759940.db2.gz	PFYDQDDGYHYHMY-CQSZACIVSA-N	-1	1	323.305	-1.347	20	0		DAADMM
O=C(CN1CCC(=O)NC1=O)N1CCC[C@H](Cc2nn[n-]n2)C1	ZINC001363400345	918775665	/nfs/dbraw/zinc/77/56/65/918775665.db2.gz	QJDLGSMZVVGLGZ-SECBINFHSA-N	-1	1	321.341	-1.077	20	0		DAADMM
COC[C@H](NC(=O)[C@@H]1CCCCS1(=O)=O)c1nn[n-]n1	ZINC001363410899	918782210	/nfs/dbraw/zinc/78/22/10/918782210.db2.gz	GNCPYXSWDFOGDK-YUMQZZPRSA-N	-1	1	303.344	-1.029	20	0		DAADMM
CCN(CC)S(=O)(=O)CC(=O)N[C@H](COC)c1nn[n-]n1	ZINC001363439726	918787105	/nfs/dbraw/zinc/78/71/05/918787105.db2.gz	XHTXIILRCXXVRB-MRVPVSSYSA-N	-1	1	320.375	-1.325	20	0		DAADMM
CN1CCN(CC(=O)N2CCOC[C@@H]2c2nn[n-]n2)CC1=O	ZINC001363514917	918810308	/nfs/dbraw/zinc/81/03/08/918810308.db2.gz	VYSYTJBQQWPYAG-SECBINFHSA-N	-1	1	309.330	-2.126	20	0		DAADMM
CS(=O)(=O)N1CC(C(=O)NC2(c3nn[n-]n3)CCC2)C1	ZINC001363545315	918825699	/nfs/dbraw/zinc/82/56/99/918825699.db2.gz	AFWUAPCACGZMJH-UHFFFAOYSA-N	-1	1	300.344	-1.414	20	0		DAADMM
O=C(CCCc1nn[n-]n1)N1CCN2CCOC[C@@]2(CO)C1	ZINC001363625492	918844694	/nfs/dbraw/zinc/84/46/94/918844694.db2.gz	PFHFJDIUWUJNLB-ZDUSSCGKSA-N	-1	1	310.358	-1.572	20	0		DAADMM
CS(=O)(=O)c1n[n-]c(NC(=O)C2CN([C@H]3CCOC3)C2)n1	ZINC001363702447	918860965	/nfs/dbraw/zinc/86/09/65/918860965.db2.gz	COBKWILAOFIMAG-QMMMGPOBSA-N	-1	1	315.355	-1.133	20	0		DAADMM
CS(=O)(=O)c1nnc(NC(=O)C2CN([C@H]3CCOC3)C2)[n-]1	ZINC001363702447	918860978	/nfs/dbraw/zinc/86/09/78/918860978.db2.gz	COBKWILAOFIMAG-QMMMGPOBSA-N	-1	1	315.355	-1.133	20	0		DAADMM
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](c2nn[n-]n2)C1	ZINC001363720004	918865241	/nfs/dbraw/zinc/86/52/41/918865241.db2.gz	KHTSGYCMDLYXLS-RKDXNWHRSA-N	-1	1	314.371	-1.060	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC(=O)N(C)C2)[n-]n1	ZINC001363759785	918874756	/nfs/dbraw/zinc/87/47/56/918874756.db2.gz	FPRRSONQCLWTMR-ZCFIWIBFSA-N	-1	1	302.312	-1.295	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC(=O)N(C)C2)n[n-]1	ZINC001363759785	918874776	/nfs/dbraw/zinc/87/47/76/918874776.db2.gz	FPRRSONQCLWTMR-ZCFIWIBFSA-N	-1	1	302.312	-1.295	20	0		DAADMM
CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1nc(=O)n(C)[n-]1	ZINC001363779969	918875788	/nfs/dbraw/zinc/87/57/88/918875788.db2.gz	JOKOOEOFXWYTBB-MRVPVSSYSA-N	-1	1	317.371	-2.157	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC1(CO)COC1	ZINC001363828478	918891328	/nfs/dbraw/zinc/89/13/28/918891328.db2.gz	LLNDNRZHZOQORO-UHFFFAOYSA-N	-1	1	305.312	-1.517	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1cnn(C)n1	ZINC001363902227	918903445	/nfs/dbraw/zinc/90/34/45/918903445.db2.gz	IKJVFLCYONHTJV-UHFFFAOYSA-N	-1	1	300.300	-1.197	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H](CO)[C@@H]2CCOC2)[n-]n1	ZINC001363976702	918920519	/nfs/dbraw/zinc/92/05/19/918920519.db2.gz	WBEGTNIJGGICLM-VXNVDRBHSA-N	-1	1	319.339	-1.128	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H](CO)[C@@H]2CCOC2)n[n-]1	ZINC001363976702	918920533	/nfs/dbraw/zinc/92/05/33/918920533.db2.gz	WBEGTNIJGGICLM-VXNVDRBHSA-N	-1	1	319.339	-1.128	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(CCO)C[C@@H](C)O)[n-]n1	ZINC001364002926	918925926	/nfs/dbraw/zinc/92/59/26/918925926.db2.gz	UJLNKLKOUUXLBI-SSDOTTSWSA-N	-1	1	307.328	-1.440	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(CCO)C[C@@H](C)O)n[n-]1	ZINC001364002926	918925938	/nfs/dbraw/zinc/92/59/38/918925938.db2.gz	UJLNKLKOUUXLBI-SSDOTTSWSA-N	-1	1	307.328	-1.440	20	0		DAADMM
O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCC[C@H](Cc2nn[n-]n2)C1	ZINC001364017582	918928330	/nfs/dbraw/zinc/92/83/30/918928330.db2.gz	AMOTUEQBLKBDCR-UORFTKCHSA-N	-1	1	323.353	-1.606	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCc2cnoc2)c(=O)n(C)c1=O	ZINC001364017431	918929919	/nfs/dbraw/zinc/92/99/19/918929919.db2.gz	BLNZSADKFBHLRN-UHFFFAOYSA-N	-1	1	314.323	-1.407	20	0		DAADMM
CCCCS(=O)(=O)NCC(=O)N[C@H](COC)c1nn[n-]n1	ZINC001364031120	918934668	/nfs/dbraw/zinc/93/46/68/918934668.db2.gz	NFXWAIXJYYSVND-MRVPVSSYSA-N	-1	1	320.375	-1.277	20	0		DAADMM
CCCCS(=O)(=O)NCC(=O)N[C@@H](COC)c1nn[n-]n1	ZINC001364031124	918935640	/nfs/dbraw/zinc/93/56/40/918935640.db2.gz	NFXWAIXJYYSVND-QMMMGPOBSA-N	-1	1	320.375	-1.277	20	0		DAADMM
COC(=O)[C@@H](F)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC001364046970	918937146	/nfs/dbraw/zinc/93/71/46/918937146.db2.gz	AFSLDGWGRKDZBM-LURJTMIESA-N	-1	1	323.302	-2.127	20	0		DAADMM
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1O	ZINC001364050169	918937952	/nfs/dbraw/zinc/93/79/52/918937952.db2.gz	FFLALLPBXIHXPF-BWZBUEFSSA-N	-1	1	314.385	-2.460	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]3CC[C@H]2O3)c(=O)n(C)c1=O	ZINC001364077391	918947176	/nfs/dbraw/zinc/94/71/76/918947176.db2.gz	TZWBSWXJJYSJCK-DJLDLDEBSA-N	-1	1	315.351	-1.318	20	0		DAADMM
CO[C@@H]1CCOC[C@H]1[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001364113424	918951415	/nfs/dbraw/zinc/95/14/15/918951415.db2.gz	FJPVCTGJQXJRGG-HTQZYQBOSA-N	-1	1	319.339	-1.432	20	0		DAADMM
CN(C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1nn[n-]n1	ZINC001364199302	918962603	/nfs/dbraw/zinc/96/26/03/918962603.db2.gz	QRUUSQYRRRCGNQ-MRVPVSSYSA-N	-1	1	309.311	-1.107	20	0		DAADMM
O=C(CCCc1nn[n-]n1)NCC12COCCN1CCOC2	ZINC001364261295	918975273	/nfs/dbraw/zinc/97/52/73/918975273.db2.gz	DRNLGQXUJLREQW-UHFFFAOYSA-N	-1	1	310.358	-1.260	20	0		DAADMM
CN(C)S(=O)(=O)c1ccc(=O)n(Cc2nc(=O)n(C)[n-]2)c1	ZINC001364264354	918977210	/nfs/dbraw/zinc/97/72/10/918977210.db2.gz	DWGUMOHDQAEPNW-UHFFFAOYSA-N	-1	1	313.339	-1.431	20	0		DAADMM
Cn1nnc(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)n1	ZINC001364264309	918978982	/nfs/dbraw/zinc/97/89/82/918978982.db2.gz	SCEPCRFKZKYXKG-UHFFFAOYSA-N	-1	1	320.313	-1.222	20	0		DAADMM
O=C(CCc1nn[n-]n1)NCCS(=O)(=O)N1CCCC1	ZINC001364375003	919000509	/nfs/dbraw/zinc/00/05/09/919000509.db2.gz	WZVYIJFXZGBKTL-UHFFFAOYSA-N	-1	1	302.360	-1.326	20	0		DAADMM
O=C(C1=C2CCCN=C2NN1)N1CCOC[C@H]1c1nn[n-]n1	ZINC001364382761	919001088	/nfs/dbraw/zinc/00/10/88/919001088.db2.gz	JXLUJLOAFIFGIN-QMMMGPOBSA-N	-1	1	304.314	-1.346	20	0		DAADMM
NC(=O)N1CCC[C@H](C(=O)N2CCOC[C@H]2c2nn[n-]n2)C1	ZINC001364382250	919002453	/nfs/dbraw/zinc/00/24/53/919002453.db2.gz	AVEDCNDXBGCHCT-IUCAKERBSA-N	-1	1	309.330	-1.110	20	0		DAADMM
CN(C)S(=O)(=O)NCC(=O)N1CCC(c2nn[n-]n2)CC1	ZINC001364528291	919026850	/nfs/dbraw/zinc/02/68/50/919026850.db2.gz	ISZYPMRBZYXUHE-UHFFFAOYSA-N	-1	1	317.375	-1.698	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2)c(=O)[nH]c1=O	ZINC001364784389	919065315	/nfs/dbraw/zinc/06/53/15/919065315.db2.gz	WSDWCKQZLLKRJG-SSDOTTSWSA-N	-1	1	316.339	-1.615	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H](C)C(=O)N(C)C)[n-]n1	ZINC001364812042	919070392	/nfs/dbraw/zinc/07/03/92/919070392.db2.gz	CFYIJPBZMXGKLN-ZCFIWIBFSA-N	-1	1	304.328	-1.049	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H](C)C(=O)N(C)C)n[n-]1	ZINC001364812042	919070405	/nfs/dbraw/zinc/07/04/05/919070405.db2.gz	CFYIJPBZMXGKLN-ZCFIWIBFSA-N	-1	1	304.328	-1.049	20	0		DAADMM
CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-][C@@H](CO)C(=O)NC	ZINC001364812319	919071709	/nfs/dbraw/zinc/07/17/09/919071709.db2.gz	DBBOYNKGXZDGIZ-IUCAKERBSA-N	-1	1	310.372	-1.256	20	0		DAADMM
COCCN1C[C@H](C(=O)N[C@H](COC)c2nn[n-]n2)CC1=O	ZINC001364816531	919073548	/nfs/dbraw/zinc/07/35/48/919073548.db2.gz	WISAOSFKQQLZQD-RKDXNWHRSA-N	-1	1	312.330	-1.502	20	0		DAADMM
COCCN1C[C@@H](C(=O)N[C@H](COC)c2nn[n-]n2)CC1=O	ZINC001364816525	919073699	/nfs/dbraw/zinc/07/36/99/919073699.db2.gz	WISAOSFKQQLZQD-DTWKUNHWSA-N	-1	1	312.330	-1.502	20	0		DAADMM
CNC(=O)[C@@H](O)C[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F	ZINC001364822923	919074086	/nfs/dbraw/zinc/07/40/86/919074086.db2.gz	QHWODMVNUXOAMX-BYPYZUCNSA-N	-1	1	316.261	-1.186	20	0		DAADMM
O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@@H](Cc2nn[n-]n2)C1	ZINC001364818101	919074244	/nfs/dbraw/zinc/07/42/44/919074244.db2.gz	HVHIMUQILYMHIA-IUCAKERBSA-N	-1	1	314.371	-1.328	20	0		DAADMM
COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001364829287	919076273	/nfs/dbraw/zinc/07/62/73/919076273.db2.gz	FIIQBWPQZOOJSJ-ZETCQYMHSA-N	-1	1	304.328	-2.120	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2CCCNC2=O)c(=O)[nH]c1=O	ZINC001364846894	919079016	/nfs/dbraw/zinc/07/90/16/919079016.db2.gz	HNUKJXPXZOTXLS-LURJTMIESA-N	-1	1	302.312	-1.957	20	0		DAADMM
C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)c1ncnn1C	ZINC001364856656	919081973	/nfs/dbraw/zinc/08/19/73/919081973.db2.gz	XTKNXKLXUYLVJQ-ZCFIWIBFSA-N	-1	1	314.327	-1.346	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](O)C2)c(=O)[nH]c1=O	ZINC001364855096	919082723	/nfs/dbraw/zinc/08/27/23/919082723.db2.gz	JBQKPBXOSMDBOK-SFYZADRCSA-N	-1	1	303.340	-1.075	20	0		DAADMM
CC1=NO[C@H](C[N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)C1	ZINC001364866797	919087005	/nfs/dbraw/zinc/08/70/05/919087005.db2.gz	UTZPWCSJQCBMSH-ZETCQYMHSA-N	-1	1	302.312	-1.071	20	0		DAADMM
CC[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)OC)C(=O)NC	ZINC001364868450	919087198	/nfs/dbraw/zinc/08/71/98/919087198.db2.gz	WTUUYUAZPVXVGC-SSDOTTSWSA-N	-1	1	304.328	-1.001	20	0		DAADMM
CC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)NC	ZINC001364881479	919088753	/nfs/dbraw/zinc/08/87/53/919088753.db2.gz	PXOBSRLHNYPFRA-SSDOTTSWSA-N	-1	1	318.355	-2.113	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2C(=O)OCC2(C)C)c(=O)[nH]c1=O	ZINC001364883372	919088817	/nfs/dbraw/zinc/08/88/17/919088817.db2.gz	GNQGXIYOWRYRPA-SSDOTTSWSA-N	-1	1	317.323	-1.284	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@H](O)[C@@H](O)C2)co1	ZINC001364891513	919091592	/nfs/dbraw/zinc/09/15/92/919091592.db2.gz	ITWFWKXWTAUVNA-PSVAKVPMSA-N	-1	1	304.324	-1.198	20	0		DAADMM
O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1C[C@H](O)[C@@H](CO)C1	ZINC001365243480	919146974	/nfs/dbraw/zinc/14/69/74/919146974.db2.gz	RPJBQZQYLLDBMB-KCJUWKMLSA-N	-1	1	324.337	-1.251	20	0		DAADMM
O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1C[C@H](CO)[C@H](O)C1	ZINC001365243488	919147856	/nfs/dbraw/zinc/14/78/56/919147856.db2.gz	RPJBQZQYLLDBMB-LDYMZIIASA-N	-1	1	324.337	-1.251	20	0		DAADMM
O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1C[C@H](O)[C@H](CO)C1	ZINC001365243484	919148020	/nfs/dbraw/zinc/14/80/20/919148020.db2.gz	RPJBQZQYLLDBMB-KWQFWETISA-N	-1	1	324.337	-1.251	20	0		DAADMM
CS(=O)(=O)C[C@H](O)C[N-]S(=O)(=O)c1c[nH]nc1Cl	ZINC001365467863	919192337	/nfs/dbraw/zinc/19/23/37/919192337.db2.gz	MIMGJRKTRRYSQJ-RXMQYKEDSA-N	-1	1	317.776	-1.253	20	0		DAADMM
CNC(=O)[C@@H](CO)[N-]S(=O)(=O)CC1(OC)CCOCC1	ZINC001365381049	919170683	/nfs/dbraw/zinc/17/06/83/919170683.db2.gz	QWVRBFGLPIUFOH-SECBINFHSA-N	-1	1	310.372	-1.792	20	0		DAADMM
CCOC(=O)C1(S(=O)(=O)[N-][C@@H](CO)C(=O)NC)CCC1	ZINC001365377651	919171118	/nfs/dbraw/zinc/17/11/18/919171118.db2.gz	FTDSYVGENRYVBF-QMMMGPOBSA-N	-1	1	308.356	-1.502	20	0		DAADMM
CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)[C@@H]1COC[C@H]1O	ZINC001365437875	919184253	/nfs/dbraw/zinc/18/42/53/919184253.db2.gz	RAPXPYNKCVBQEG-FNCVBFRFSA-N	-1	1	315.369	-2.523	20	0		DAADMM
CCn1nncc1C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001365442087	919187159	/nfs/dbraw/zinc/18/71/59/919187159.db2.gz	CCSIHNUWUVYYLI-UHFFFAOYSA-N	-1	1	314.327	-1.424	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NC[C@H](F)C(=O)OC)n[n-]1	ZINC001365459121	919189607	/nfs/dbraw/zinc/18/96/07/919189607.db2.gz	PFCIYORVMBGYPJ-YFKPBYRVSA-N	-1	1	309.275	-1.014	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2CCCCNC2=O)c(=O)[nH]c1=O	ZINC001365634608	919207555	/nfs/dbraw/zinc/20/75/55/919207555.db2.gz	MAYJKWVULGIHAK-SSDOTTSWSA-N	-1	1	316.339	-1.567	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCNC(=O)[C@H]2C)[n-]n1	ZINC001365645340	919208587	/nfs/dbraw/zinc/20/85/87/919208587.db2.gz	SVQKXFKSNCSQTR-ZCFIWIBFSA-N	-1	1	302.312	-1.295	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCNC(=O)[C@H]2C)n[n-]1	ZINC001365645340	919208603	/nfs/dbraw/zinc/20/86/03/919208603.db2.gz	SVQKXFKSNCSQTR-ZCFIWIBFSA-N	-1	1	302.312	-1.295	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)nc1=O	ZINC001365688364	919218817	/nfs/dbraw/zinc/21/88/17/919218817.db2.gz	OOIJZERIGPTEBF-SECBINFHSA-N	-1	1	308.342	-1.969	20	0		DAADMM
Cn1nncc1C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001365711204	919223323	/nfs/dbraw/zinc/22/33/23/919223323.db2.gz	JGDXSWDVBUGWEF-UHFFFAOYSA-N	-1	1	300.300	-1.907	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC(C)(C)OCCO)c(=O)[nH]c1=O	ZINC001365711298	919223438	/nfs/dbraw/zinc/22/34/38/919223438.db2.gz	MIDOGWYVOWKFAW-UHFFFAOYSA-N	-1	1	321.355	-1.448	20	0		DAADMM
CC(C)[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)C(N)=O	ZINC001365746624	919234071	/nfs/dbraw/zinc/23/40/71/919234071.db2.gz	KGHFJBVTEVQPIR-SKLCBMLGSA-N	-1	1	300.406	-1.095	20	0		DAADMM
COC(=O)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)C1	ZINC001365714202	919223811	/nfs/dbraw/zinc/22/38/11/919223811.db2.gz	BGKNFXADGCCANU-KNVOCYPGSA-N	-1	1	317.323	-1.284	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCN(C)C[C@@H]2CO)[n-]n1	ZINC001365721837	919225674	/nfs/dbraw/zinc/22/56/74/919225674.db2.gz	ATPOPHKBXIQUIS-MRVPVSSYSA-N	-1	1	318.355	-1.507	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCN(C)C[C@@H]2CO)n[n-]1	ZINC001365721837	919225683	/nfs/dbraw/zinc/22/56/83/919225683.db2.gz	ATPOPHKBXIQUIS-MRVPVSSYSA-N	-1	1	318.355	-1.507	20	0		DAADMM
COC[C@H](CS(=O)(=O)[N-]Cc1nc(C(N)=O)co1)OC	ZINC001365720792	919226236	/nfs/dbraw/zinc/22/62/36/919226236.db2.gz	CSXQPHMVHRJMLM-SSDOTTSWSA-N	-1	1	307.328	-1.146	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@H]2COCCN2C)c(=O)[nH]c1=O	ZINC001365725960	919227387	/nfs/dbraw/zinc/22/73/87/919227387.db2.gz	JLGPXFQEPOGPSJ-MRVPVSSYSA-N	-1	1	318.355	-1.905	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@H]2COCCN2C)c(=O)[nH]c1=O	ZINC001365725961	919228698	/nfs/dbraw/zinc/22/86/98/919228698.db2.gz	JLGPXFQEPOGPSJ-QMMMGPOBSA-N	-1	1	318.355	-1.905	20	0		DAADMM
O=C(CCc1nc[nH]n1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001365968083	919257833	/nfs/dbraw/zinc/25/78/33/919257833.db2.gz	BPZHFSTVYKFTAL-QMMMGPOBSA-N	-1	1	306.330	-1.048	20	0		DAADMM
C[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001366301101	919307375	/nfs/dbraw/zinc/30/73/75/919307375.db2.gz	NTJPSYTXSXBCEE-BQBZGAKWSA-N	-1	1	305.360	-1.462	20	0		DAADMM
CN(CCNC(=O)c1cnn(C)c1N)Cc1nc(=O)n(C)[n-]1	ZINC001366520850	919337156	/nfs/dbraw/zinc/33/71/56/919337156.db2.gz	QIQNHTQAQQQNRB-UHFFFAOYSA-N	-1	1	308.346	-1.714	20	0		DAADMM
CN(CCNC(=O)c1ccn(C)c(=O)c1)Cc1nc(=O)n(C)[n-]1	ZINC001366542182	919341240	/nfs/dbraw/zinc/34/12/40/919341240.db2.gz	GGXBEFPCDBGGMD-UHFFFAOYSA-N	-1	1	320.353	-1.331	20	0		DAADMM
CN(CCNC(=O)c1cc2n(n1)CCO2)Cc1nc(=O)n(C)[n-]1	ZINC001366538219	919342229	/nfs/dbraw/zinc/34/22/29/919342229.db2.gz	SODPOCNJSGTZPO-UHFFFAOYSA-N	-1	1	321.341	-1.441	20	0		DAADMM
CCN1C[C@@H](C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)CC1=O	ZINC001366538972	919343085	/nfs/dbraw/zinc/34/30/85/919343085.db2.gz	SVFJKWCSYVRBSY-JTQLQIEISA-N	-1	1	324.385	-1.475	20	0		DAADMM
CN(CCNC(=O)C[C@@H]1CCC(=O)N1)Cc1nc(=O)n(C)[n-]1	ZINC001366572456	919349690	/nfs/dbraw/zinc/34/96/90/919349690.db2.gz	DBRKGKBPQYLFOI-VIFPVBQESA-N	-1	1	310.358	-1.675	20	0		DAADMM
Cc1nc[nH]c1CC(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001366587436	919351664	/nfs/dbraw/zinc/35/16/64/919351664.db2.gz	QEGDALUMHZWHPZ-UHFFFAOYSA-N	-1	1	307.358	-1.069	20	0		DAADMM
O=C(NCC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CNC(=O)N1	ZINC001366835414	919384871	/nfs/dbraw/zinc/38/48/71/919384871.db2.gz	NYSRYJAJDNCHEY-BDAKNGLRSA-N	-1	1	323.357	-1.480	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)CCn3ccnc3)C2)nc1=O	ZINC001366972160	919413857	/nfs/dbraw/zinc/41/38/57/919413857.db2.gz	IVMJORQMCQMKTG-UHFFFAOYSA-N	-1	1	319.369	-1.057	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)CS(C)(=O)=O)C2)nc1=O	ZINC001367007728	919421352	/nfs/dbraw/zinc/42/13/52/919421352.db2.gz	OKVYMDSQLCXNPY-QMMMGPOBSA-N	-1	1	317.371	-2.157	20	0		DAADMM
CN(CCN(C)C(=O)c1cn(C)c(=O)[nH]1)Cc1nc(=O)n(C)[n-]1	ZINC001367536129	919472678	/nfs/dbraw/zinc/47/26/78/919472678.db2.gz	PLFLZWHPFJTQSJ-UHFFFAOYSA-N	-1	1	323.357	-1.249	20	0		DAADMM
CN(CCN(C)C(=O)[C@@H]1CCC(=O)N1)Cc1nc(=O)n(C)[n-]1	ZINC001367544625	919476940	/nfs/dbraw/zinc/47/69/40/919476940.db2.gz	DKMVSOUTIWLYFJ-VIFPVBQESA-N	-1	1	310.358	-1.723	20	0		DAADMM
C[C@@H](NC[C@@H](O)CNC(=O)c1ncccc1[O-])c1nnnn1C	ZINC001367575031	919484709	/nfs/dbraw/zinc/48/47/09/919484709.db2.gz	NLHIEGYVWOHDRE-RKDXNWHRSA-N	-1	1	321.341	-1.248	20	0		DAADMM
O=C(Cc1cncs1)NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001367588953	919501300	/nfs/dbraw/zinc/50/13/00/919501300.db2.gz	MKHXFSDMDMKELW-ZETCQYMHSA-N	-1	1	312.355	-1.224	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CCN(C)C(=O)C1	ZINC001367680873	919555171	/nfs/dbraw/zinc/55/51/71/919555171.db2.gz	YMRAOHRCJAYBJG-RKDXNWHRSA-N	-1	1	310.358	-1.027	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001367929725	919589852	/nfs/dbraw/zinc/58/98/52/919589852.db2.gz	HEFDGJJRUOZXSA-WPRPVWTQSA-N	-1	1	310.358	-1.677	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)[C@@H]3CCC(=O)N3)C2)nc1=O	ZINC001368321936	919694950	/nfs/dbraw/zinc/69/49/50/919694950.db2.gz	VKHCTFRPNULFNL-QMMMGPOBSA-N	-1	1	324.341	-2.950	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)Cn3cncn3)C2)nc1=O	ZINC001368321087	919695945	/nfs/dbraw/zinc/69/59/45/919695945.db2.gz	ASRXEVOJGSXDJM-UHFFFAOYSA-N	-1	1	322.329	-2.937	20	0		DAADMM
O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CCC1)[C@@H]1CCC(=O)N1	ZINC001368491971	919728766	/nfs/dbraw/zinc/72/87/66/919728766.db2.gz	APQPNIQIFYGVDV-QMMMGPOBSA-N	-1	1	308.342	-1.083	20	0		DAADMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)CCS(C)(=O)=O	ZINC001368840001	919782996	/nfs/dbraw/zinc/78/29/96/919782996.db2.gz	FNWVNPRUXKRIDC-SFYZADRCSA-N	-1	1	319.387	-1.072	20	0		DAADMM
C[C@@H](CNC(=O)Cn1cncn1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001369003174	919795511	/nfs/dbraw/zinc/79/55/11/919795511.db2.gz	LOUSXPYSETXSEX-VIFPVBQESA-N	-1	1	308.346	-1.663	20	0		DAADMM
C[C@H](CNC(=O)Cn1cncn1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001369003167	919796642	/nfs/dbraw/zinc/79/66/42/919796642.db2.gz	LOUSXPYSETXSEX-SECBINFHSA-N	-1	1	308.346	-1.663	20	0		DAADMM
CN(C(=O)Cn1ncnn1)[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001369201400	919828412	/nfs/dbraw/zinc/82/84/12/919828412.db2.gz	JBHMLCDQJBGOMX-SECBINFHSA-N	-1	1	321.345	-1.476	20	0		DAADMM
C[C@@H](CN(C)C(=O)[C@H]1CN(C)CCO1)NCc1n[nH]c(=O)[n-]1	ZINC001369228337	919830536	/nfs/dbraw/zinc/83/05/36/919830536.db2.gz	GGNQCTOAWBEZTM-VHSXEESVSA-N	-1	1	312.374	-1.223	20	0		DAADMM
CO[C@@H](C)C(=O)NC[C@@H](CO)NCc1cc(=O)n2[n-]ccc2n1	ZINC001369310137	919847397	/nfs/dbraw/zinc/84/73/97/919847397.db2.gz	RBUYLHLAUSTYTJ-ONGXEEELSA-N	-1	1	323.353	-1.376	20	0		DAADMM
Cc1cc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)ncn1	ZINC001369319359	919853628	/nfs/dbraw/zinc/85/36/28/919853628.db2.gz	DJPWLGIWGXKJRP-VIFPVBQESA-N	-1	1	321.341	-1.913	20	0		DAADMM
CS[C@H](C)CC(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001369325138	919856310	/nfs/dbraw/zinc/85/63/10/919856310.db2.gz	TYOBDSJLLSOXQE-BDAKNGLRSA-N	-1	1	317.415	-1.183	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)[C@H]2CCC2(F)F)nc1=O	ZINC001369327034	919859953	/nfs/dbraw/zinc/85/99/53/919859953.db2.gz	HRZCAXOAGPSTLZ-JGVFFNPUSA-N	-1	1	319.312	-1.280	20	0		DAADMM
CCc1ocnc1C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001369325678	919860449	/nfs/dbraw/zinc/86/04/49/919860449.db2.gz	XTJVTNXZSHAXRQ-MRVPVSSYSA-N	-1	1	324.341	-1.461	20	0		DAADMM
CCN(C)C(=O)CN[C@@H](CO)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001369327452	919861955	/nfs/dbraw/zinc/86/19/55/919861955.db2.gz	YCHLONKMXSKAEM-SECBINFHSA-N	-1	1	313.358	-1.418	20	0		DAADMM
Cc1nocc1C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001369343373	919884585	/nfs/dbraw/zinc/88/45/85/919884585.db2.gz	XOMDIANXTPPKDA-QMMMGPOBSA-N	-1	1	310.314	-1.715	20	0		DAADMM
O=C(NC[C@H](CO)NC/C=C/Cl)c1n[nH]c(=O)[n-]c1=O	ZINC001369346439	919887468	/nfs/dbraw/zinc/88/74/68/919887468.db2.gz	ULEZMNVURZFJTK-UGQQDIOTSA-N	-1	1	303.706	-1.284	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)nc1=O	ZINC001369354996	919895118	/nfs/dbraw/zinc/89/51/18/919895118.db2.gz	XNEHRNDEUAVNHH-ZDCRXTMVSA-N	-1	1	309.370	-1.279	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1COCCO1	ZINC001369455044	919935294	/nfs/dbraw/zinc/93/52/94/919935294.db2.gz	ZIXMHZJHYJVHEB-BDAKNGLRSA-N	-1	1	315.330	-2.165	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1cncn1C	ZINC001369472681	919948634	/nfs/dbraw/zinc/94/86/34/919948634.db2.gz	KNLRYIASXHZPBJ-MRVPVSSYSA-N	-1	1	309.330	-1.534	20	0		DAADMM
COCCN(CCNC(=O)c1cn[nH]c1)Cc1nc(=O)n(C)[n-]1	ZINC001369549386	919981141	/nfs/dbraw/zinc/98/11/41/919981141.db2.gz	ADGPMRNWRQAQFK-UHFFFAOYSA-N	-1	1	323.357	-1.290	20	0		DAADMM
O=C(NCCN1CCN(CCO)CC1)c1n[nH]c(=O)[n-]c1=O	ZINC001369905847	920012414	/nfs/dbraw/zinc/01/24/14/920012414.db2.gz	KGBDKHMCWUCYRV-UHFFFAOYSA-N	-1	1	312.330	-2.378	20	0		DAADMM
O=C(Cn1ccnc1)NC[C@@H](CO)NC(=O)c1ncccc1[O-]	ZINC001370725980	920142978	/nfs/dbraw/zinc/14/29/78/920142978.db2.gz	OGMBURYBCHWWOO-JTQLQIEISA-N	-1	1	319.321	-1.109	20	0		DAADMM
COC(=O)[C@@H]1C[C@H]1C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001371925858	920308337	/nfs/dbraw/zinc/30/83/37/920308337.db2.gz	DDQIBYDNRUNNIQ-RKDXNWHRSA-N	-1	1	311.342	-1.535	20	0		DAADMM
CN(CCNC(=O)C1CS(=O)(=O)C1)Cc1nc(=O)n(C)[n-]1	ZINC001371975546	920316123	/nfs/dbraw/zinc/31/61/23/920316123.db2.gz	ATEWCMCJIQKVBO-UHFFFAOYSA-N	-1	1	317.371	-2.299	20	0		DAADMM
CNC(=O)NCCC(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001371967300	920316606	/nfs/dbraw/zinc/31/66/06/920316606.db2.gz	VIHSYXQGVDWZGQ-UHFFFAOYSA-N	-1	1	313.362	-2.025	20	0		DAADMM
CN(CCNC(=O)[C@@H]1CCCC(=O)N1C)Cc1nc(=O)n(C)[n-]1	ZINC001372208011	920346746	/nfs/dbraw/zinc/34/67/46/920346746.db2.gz	ZWSZOQRMQFZMAC-JTQLQIEISA-N	-1	1	324.385	-1.333	20	0		DAADMM
CCN(CCNC(=O)CCn1cncn1)Cc1nc(=O)n(C)[n-]1	ZINC001372278958	920358861	/nfs/dbraw/zinc/35/88/61/920358861.db2.gz	KPIVDQKSEOCXRH-UHFFFAOYSA-N	-1	1	322.373	-1.272	20	0		DAADMM
CCN(CCNC(=O)[C@H]1CCNC(=O)C1)Cc1nc(=O)n(C)[n-]1	ZINC001372304717	920361925	/nfs/dbraw/zinc/36/19/25/920361925.db2.gz	ITQPJCBTFDEEFH-JTQLQIEISA-N	-1	1	324.385	-1.427	20	0		DAADMM
CCNC(=O)CCC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001373418031	920490572	/nfs/dbraw/zinc/49/05/72/920490572.db2.gz	PZPHXHXSHGVLCO-UHFFFAOYSA-N	-1	1	310.358	-1.675	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001373581796	920526476	/nfs/dbraw/zinc/52/64/76/920526476.db2.gz	JFPLJQUCVWSZTI-WPRPVWTQSA-N	-1	1	310.358	-1.677	20	0		DAADMM
Cn1nnc(CNC[C@@H](O)CNC(=O)c2ncccc2[O-])n1	ZINC001374597367	920635392	/nfs/dbraw/zinc/63/53/92/920635392.db2.gz	XMOUKFNBTWIFFN-MRVPVSSYSA-N	-1	1	307.314	-1.809	20	0		DAADMM
O=C(CCn1cnnn1)NC1CN(C(=O)c2ncccc2[O-])C1	ZINC001374745608	920704648	/nfs/dbraw/zinc/70/46/48/920704648.db2.gz	ZOUYMXWURGGVIA-UHFFFAOYSA-N	-1	1	317.309	-1.195	20	0		DAADMM
O=C(N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1)[C@@H]1COCCO1	ZINC001375208555	920753361	/nfs/dbraw/zinc/75/33/61/920753361.db2.gz	HTEPIDOFXXOHMV-UWVGGRQHSA-N	-1	1	311.342	-1.090	20	0		DAADMM
C[C@H](O)CN1CC[C@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC001375318703	920765351	/nfs/dbraw/zinc/76/53/51/920765351.db2.gz	AWQUCUNRPSIBLH-IUCAKERBSA-N	-1	1	311.342	-1.213	20	0		DAADMM
C[C@@H](O)CN1CC[C@@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC001375318704	920766009	/nfs/dbraw/zinc/76/60/09/920766009.db2.gz	AWQUCUNRPSIBLH-RKDXNWHRSA-N	-1	1	311.342	-1.213	20	0		DAADMM
Cn1cncc1CC(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001375367329	920768364	/nfs/dbraw/zinc/76/83/64/920768364.db2.gz	WQIRLSOBMQXREZ-JTQLQIEISA-N	-1	1	319.369	-1.225	20	0		DAADMM
CC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001375345426	920770959	/nfs/dbraw/zinc/77/09/59/920770959.db2.gz	RGZKWKAGRIVZGS-MNOVXSKESA-N	-1	1	324.385	-1.286	20	0		DAADMM
CC[C@@H](NC(C)=O)C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001375345424	920771332	/nfs/dbraw/zinc/77/13/32/920771332.db2.gz	RGZKWKAGRIVZGS-GHMZBOCLSA-N	-1	1	324.385	-1.286	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](O)(CNC(=O)C(C)(C)F)C2)nc1=O	ZINC001375994000	920815949	/nfs/dbraw/zinc/81/59/49/920815949.db2.gz	ASVIKCMLJKTTHS-CYBMUJFWSA-N	-1	1	315.349	-1.091	20	0		DAADMM
CN1CC[C@H](N2CC(O)(CNC(=O)c3ncccc3[O-])C2)C1=O	ZINC001376166715	920881562	/nfs/dbraw/zinc/88/15/62/920881562.db2.gz	RJUJCADAIVSSFG-JTQLQIEISA-N	-1	1	320.349	-1.206	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1	ZINC001377420355	921816282	/nfs/dbraw/zinc/81/62/82/921816282.db2.gz	GJCRTZVLVZXCPF-GXSJLCMTSA-N	-1	1	324.385	-1.429	20	0		DAADMM
CC(=O)N(C)CC(=O)NCCN(Cc1nc(=O)n(C)[n-]1)C1CC1	ZINC001377515128	921830376	/nfs/dbraw/zinc/83/03/76/921830376.db2.gz	WVAMHATZIJMMBS-UHFFFAOYSA-N	-1	1	324.385	-1.333	20	0		DAADMM
CC(=O)NCC(=O)N[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001377810231	921867945	/nfs/dbraw/zinc/86/79/45/921867945.db2.gz	PROAQMUVFMUZLE-SNVBAGLBSA-N	-1	1	310.358	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)CS(C)(=O)=O)C2)nc1=O	ZINC001377954643	921886305	/nfs/dbraw/zinc/88/63/05/921886305.db2.gz	GHYKMNNJRBCZBL-UHFFFAOYSA-N	-1	1	317.371	-2.299	20	0		DAADMM
O=C(CCc1c[nH]nn1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001377998206	921896549	/nfs/dbraw/zinc/89/65/49/921896549.db2.gz	YKGOENSEVFCSBS-UHFFFAOYSA-N	-1	1	306.330	-1.191	20	0		DAADMM
O=C(CCc1cnn[nH]1)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001377998206	921896558	/nfs/dbraw/zinc/89/65/58/921896558.db2.gz	YKGOENSEVFCSBS-UHFFFAOYSA-N	-1	1	306.330	-1.191	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)C[C@H]3CCC(=O)N3)C2)nc1=O	ZINC001377996048	921898909	/nfs/dbraw/zinc/89/89/09/921898909.db2.gz	MJTDDRNIRZGVCD-SNVBAGLBSA-N	-1	1	322.369	-1.675	20	0		DAADMM
CC[C@H](NC(C)=O)C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001378122936	921919238	/nfs/dbraw/zinc/91/92/38/921919238.db2.gz	SDTODQRAOWBRCP-MNOVXSKESA-N	-1	1	324.385	-1.286	20	0		DAADMM
O=C(NCC1(NC(=O)[C@H]2CNC(=O)N2)CC1)c1ncccc1[O-]	ZINC001378749030	922002080	/nfs/dbraw/zinc/00/20/80/922002080.db2.gz	NAYACSWQUXSDLF-MRVPVSSYSA-N	-1	1	319.321	-1.153	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)[C@H]1CC(=O)N(C)C1	ZINC001378771754	922006654	/nfs/dbraw/zinc/00/66/54/922006654.db2.gz	AAALBANKXXNBKR-BDAKNGLRSA-N	-1	1	310.358	-1.075	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)c1c[nH]c(=O)cn1	ZINC001378815158	922014312	/nfs/dbraw/zinc/01/43/12/922014312.db2.gz	UAKSNBXXWWGXEW-ZETCQYMHSA-N	-1	1	307.314	-1.156	20	0		DAADMM
COC(=O)NCC(=O)N(C)C[C@@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001379086531	922033791	/nfs/dbraw/zinc/03/37/91/922033791.db2.gz	YDBAAYSGXDOGEQ-SSDOTTSWSA-N	-1	1	300.319	-1.197	20	0		DAADMM
CS[C@H](C)C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001379359666	922133935	/nfs/dbraw/zinc/13/39/35/922133935.db2.gz	ICKIPCXCTQEBHE-HTQZYQBOSA-N	-1	1	303.388	-1.573	20	0		DAADMM
COC[C@@H](C)C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001379361175	922134183	/nfs/dbraw/zinc/13/41/83/922134183.db2.gz	IQBIQOCVCDRQDE-BDAKNGLRSA-N	-1	1	301.347	-2.042	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)c2cncs2)nc1=O	ZINC001379363337	922135506	/nfs/dbraw/zinc/13/55/06/922135506.db2.gz	OVKSIQOOHAXQDD-SSDOTTSWSA-N	-1	1	312.355	-1.555	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H](C)S(C)(=O)=O	ZINC001379391377	922147081	/nfs/dbraw/zinc/14/70/81/922147081.db2.gz	ZQLDAYQIYTZZAA-RNFRBKRXSA-N	-1	1	305.360	-1.462	20	0		DAADMM
Cc1nc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)co1	ZINC001379395921	922151071	/nfs/dbraw/zinc/15/10/71/922151071.db2.gz	PVSXBDZMYLNJPF-MRVPVSSYSA-N	-1	1	310.314	-1.715	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1CCCS1(=O)=O	ZINC001379466243	922188388	/nfs/dbraw/zinc/18/83/88/922188388.db2.gz	PBRYVGXSFPSVCG-HTQZYQBOSA-N	-1	1	317.371	-1.318	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)CC1CS(=O)(=O)C1	ZINC001379521979	922212197	/nfs/dbraw/zinc/21/21/97/922212197.db2.gz	ZVUOPIUONMWKEJ-ZETCQYMHSA-N	-1	1	317.371	-1.461	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)CN1CCNC(=O)C1	ZINC001379533855	922220593	/nfs/dbraw/zinc/22/05/93/922220593.db2.gz	WIUYSBJOAUAMRB-QMMMGPOBSA-N	-1	1	311.346	-2.464	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C(C)(C)S(C)(=O)=O	ZINC001379556730	922224394	/nfs/dbraw/zinc/22/43/94/922224394.db2.gz	SYHZZRJCJDWLCZ-ZETCQYMHSA-N	-1	1	319.387	-1.072	20	0		DAADMM
COC(=O)NCC(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001379590301	922227163	/nfs/dbraw/zinc/22/71/63/922227163.db2.gz	YYQGSKRPUQNUEC-SFYZADRCSA-N	-1	1	312.330	-1.055	20	0		DAADMM
CNC(=O)NCC(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001379570332	922229398	/nfs/dbraw/zinc/22/93/98/922229398.db2.gz	FKQHDKLOBOVCQD-HTQZYQBOSA-N	-1	1	311.346	-1.482	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1cnc[nH]c1=O	ZINC001379681274	922240429	/nfs/dbraw/zinc/24/04/29/922240429.db2.gz	JITLXVCLRXPOSV-QMMMGPOBSA-N	-1	1	321.341	-1.146	20	0		DAADMM
Cc1cc(C(=O)N(C)C[C@@H](O)CNCc2n[nH]c(=O)[n-]2)cnn1	ZINC001379772347	922255928	/nfs/dbraw/zinc/25/59/28/922255928.db2.gz	JETMPPDPXDPAAG-JTQLQIEISA-N	-1	1	321.341	-1.169	20	0		DAADMM
C[C@@H](C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1)C1CC1	ZINC001380575948	922398772	/nfs/dbraw/zinc/39/87/72/922398772.db2.gz	ATBIRGPOFSYIBL-SECBINFHSA-N	-1	1	309.370	-1.183	20	0		DAADMM
Cn1cnc(C(=O)NCC2(O)CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001380589563	922405391	/nfs/dbraw/zinc/40/53/91/922405391.db2.gz	LYNQIPZSEYSYLM-UHFFFAOYSA-N	-1	1	322.329	-2.786	20	0		DAADMM
CN(CCCN(C)[C@H]1CCNC1=O)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001380963596	922484491	/nfs/dbraw/zinc/48/44/91/922484491.db2.gz	MINSMYSWZYTNQU-QMMMGPOBSA-N	-1	1	324.341	-1.435	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)CS(C)(=O)=O)CC2)nc1=O	ZINC001381078665	922498824	/nfs/dbraw/zinc/49/88/24/922498824.db2.gz	NRLGXBVJQVBBMF-UHFFFAOYSA-N	-1	1	317.371	-2.203	20	0		DAADMM
Cn1[n-]c(CN2CC(CCO)(NC(=O)CCCF)C2)nc1=O	ZINC001381687188	922548747	/nfs/dbraw/zinc/54/87/47/922548747.db2.gz	YZYJCDGPRWWKHT-UHFFFAOYSA-N	-1	1	315.349	-1.089	20	0		DAADMM
Cn1cc(CC(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)cn1	ZINC001382185604	922601456	/nfs/dbraw/zinc/60/14/56/922601456.db2.gz	QFXPKQOVHZOOHJ-JTQLQIEISA-N	-1	1	323.357	-2.349	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)c2nccs2)nc1=O	ZINC001382249306	922641053	/nfs/dbraw/zinc/64/10/53/922641053.db2.gz	CWJNDTGJEGHDQH-ZETCQYMHSA-N	-1	1	312.355	-1.555	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)[C@@]2(C)CCOC2)nc1=O	ZINC001382258611	922649008	/nfs/dbraw/zinc/64/90/08/922649008.db2.gz	XUQKSTLZBAHCSE-RNCFNFMXSA-N	-1	1	313.358	-1.898	20	0		DAADMM
CCn1cc(C(=O)N(C)C[C@@H](O)CNCc2n[nH]c(=O)[n-]2)cn1	ZINC001382380380	922708242	/nfs/dbraw/zinc/70/82/42/922708242.db2.gz	GYTKWBRZNDLMNU-JTQLQIEISA-N	-1	1	323.357	-1.051	20	0		DAADMM
COCC(=O)N[C@@H](CO)CNC(=O)c1cnc(C2CC2)[n-]c1=O	ZINC001383925686	922980403	/nfs/dbraw/zinc/98/04/03/922980403.db2.gz	VWYXGSPZDUTLFL-SECBINFHSA-N	-1	1	324.337	-1.087	20	0		DAADMM
CN(CCNC(=O)CN1CCCC1)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001387753574	923410757	/nfs/dbraw/zinc/41/07/57/923410757.db2.gz	GVSBYVDZFALOFV-UHFFFAOYSA-N	-1	1	324.341	-1.433	20	0		DAADMM
C[C@@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)NC(=O)C(F)F	ZINC001389282465	923595023	/nfs/dbraw/zinc/59/50/23/923595023.db2.gz	BSRDWUUFQXSSBS-YFKPBYRVSA-N	-1	1	314.252	-1.083	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)CCCC(N)=O)C2)nc1=O	ZINC001389518418	923641919	/nfs/dbraw/zinc/64/19/19/923641919.db2.gz	FOCGVZXJCRCXDN-VIFPVBQESA-N	-1	1	310.358	-1.546	20	0		DAADMM
C[C@H](CNC(=O)CC1CS(=O)(=O)C1)NCc1n[nH]c(=O)[n-]1	ZINC001390409925	923736937	/nfs/dbraw/zinc/73/69/37/923736937.db2.gz	PGIHDAFHZXHTCL-SSDOTTSWSA-N	-1	1	317.371	-1.461	20	0		DAADMM
CN(CCNC(=O)[C@H]1CCN(C)C(=O)C1)Cc1nc(=O)n(C)[n-]1	ZINC001390783605	923780658	/nfs/dbraw/zinc/78/06/58/923780658.db2.gz	OYZXFSJQUWXESG-JTQLQIEISA-N	-1	1	324.385	-1.475	20	0		DAADMM
C[C@H](C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1)[C@@H]1CCC(=O)N1	ZINC001390817763	923784330	/nfs/dbraw/zinc/78/43/30/923784330.db2.gz	MFGKRWKTYWFUCS-UWVGGRQHSA-N	-1	1	324.385	-1.429	20	0		DAADMM
C[C@@H](C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1)[C@@H]1CCC(=O)N1	ZINC001390817777	923786929	/nfs/dbraw/zinc/78/69/29/923786929.db2.gz	MFGKRWKTYWFUCS-ZJUUUORDSA-N	-1	1	324.385	-1.429	20	0		DAADMM
CCN(CCNC(=O)[C@H](C)n1cncn1)Cc1nc(=O)n(C)[n-]1	ZINC001390900865	923793472	/nfs/dbraw/zinc/79/34/72/923793472.db2.gz	LKGNTOVLZUMZMS-JTQLQIEISA-N	-1	1	322.373	-1.101	20	0		DAADMM
CCC(=O)N[C@@H](C)C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001391423992	923835347	/nfs/dbraw/zinc/83/53/47/923835347.db2.gz	WDZJQZPIGNGOQO-QMMMGPOBSA-N	-1	1	310.358	-1.677	20	0		DAADMM
CC(=O)N(C)CC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001391540424	923856865	/nfs/dbraw/zinc/85/68/65/923856865.db2.gz	JMHFLSAHZVGSKX-JTQLQIEISA-N	-1	1	310.358	-1.723	20	0		DAADMM
CN(CCN(C)C(=O)c1ccn[nH]1)C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001391755378	923875745	/nfs/dbraw/zinc/87/57/45/923875745.db2.gz	GCGWXOOZUCNWAR-UHFFFAOYSA-N	-1	1	323.313	-1.357	20	0		DAADMM
CN(CCN(C)C(=O)c1cnc[nH]c1=O)Cc1nc(=O)n(C)[n-]1	ZINC001392283491	923954475	/nfs/dbraw/zinc/95/44/75/923954475.db2.gz	FSUJNYCXQLGVIP-UHFFFAOYSA-N	-1	1	321.341	-1.192	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1cnnn1C	ZINC001392655618	924061275	/nfs/dbraw/zinc/06/12/75/924061275.db2.gz	YCZRYZAOCYVVNB-QMMMGPOBSA-N	-1	1	308.346	-1.513	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC001392689518	924066679	/nfs/dbraw/zinc/06/66/79/924066679.db2.gz	OKIXQTBHBXMTTE-UXCLJVHYSA-N	-1	1	309.370	-1.063	20	0		DAADMM
CN1C[C@@H](C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)CC1=O	ZINC001392762580	924074574	/nfs/dbraw/zinc/07/45/74/924074574.db2.gz	FGHPGNWFGQERSX-UWVGGRQHSA-N	-1	1	322.369	-1.027	20	0		DAADMM
CN1C[C@H](C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)CC1=O	ZINC001392762582	924075460	/nfs/dbraw/zinc/07/54/60/924075460.db2.gz	FGHPGNWFGQERSX-ZJUUUORDSA-N	-1	1	322.369	-1.027	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)[C@H]3CCC(=O)N3)C2)nc1=O	ZINC001393306773	924166497	/nfs/dbraw/zinc/16/64/97/924166497.db2.gz	VKHCTFRPNULFNL-MRVPVSSYSA-N	-1	1	324.341	-2.950	20	0		DAADMM
CO[C@@H](C)C(=O)NC[C@H]1COCCN1Cc1nc(=O)n(C)[n-]1	ZINC001393497139	924217166	/nfs/dbraw/zinc/21/71/66/924217166.db2.gz	GRMZPTLHBCQYRF-UWVGGRQHSA-N	-1	1	313.358	-1.540	20	0		DAADMM
C[C@@H](CNC(=O)CCn1cncn1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001394041097	924275958	/nfs/dbraw/zinc/27/59/58/924275958.db2.gz	DDXFVPUPQXUACS-JTQLQIEISA-N	-1	1	322.373	-1.273	20	0		DAADMM
C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)[C@H]1CCNC1=O	ZINC001394128224	924283422	/nfs/dbraw/zinc/28/34/22/924283422.db2.gz	CKHSCHNATYAAHP-YUMQZZPRSA-N	-1	1	312.330	-1.986	20	0		DAADMM
CC(C)SCC(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001394569863	924311693	/nfs/dbraw/zinc/31/16/93/924311693.db2.gz	HRMWOZNHWRSJCL-SECBINFHSA-N	-1	1	317.415	-1.183	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)C2=COCCO2)nc1=O	ZINC001394576991	924315983	/nfs/dbraw/zinc/31/59/83/924315983.db2.gz	ZYIKGKZAWHDPOJ-QMMMGPOBSA-N	-1	1	313.314	-2.437	20	0		DAADMM
Cn1cnnc1CN[C@@H](CO)CNC(=O)c1ncccc1[O-]	ZINC001394585197	924321884	/nfs/dbraw/zinc/32/18/84/924321884.db2.gz	NEACXWBVJYCGBM-SECBINFHSA-N	-1	1	306.326	-1.204	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)[C@]23C[C@H]2COC3)nc1=O	ZINC001394588278	924325626	/nfs/dbraw/zinc/32/56/26/924325626.db2.gz	HUCOZPHFYFQXDS-RWEMILLDSA-N	-1	1	311.342	-2.288	20	0		DAADMM
Cc1cc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)ccn1	ZINC001394653713	924357835	/nfs/dbraw/zinc/35/78/35/924357835.db2.gz	UTWFJWPTZDIBIA-LLVKDONJSA-N	-1	1	320.353	-1.308	20	0		DAADMM
Cc1cn(C)nc1C(=O)N(C)C[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001394733271	924367532	/nfs/dbraw/zinc/36/75/32/924367532.db2.gz	IIOVHJXYPRIEDP-SECBINFHSA-N	-1	1	323.357	-1.225	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC001394748126	924373523	/nfs/dbraw/zinc/37/35/23/924373523.db2.gz	PWANFHIUYDKMIJ-WYOJIJJFSA-N	-1	1	311.342	-1.688	20	0		DAADMM
CO[C@@H](C)C(=O)NCCN(C)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001397876148	924605978	/nfs/dbraw/zinc/60/59/78/924605978.db2.gz	LGXXNMOCZFVJMY-QMMMGPOBSA-N	-1	1	322.325	-1.359	20	0		DAADMM
CN1C[C@@H](C(=O)NC[C@@H](NCc2n[nH]c(=O)[n-]2)C2CC2)NC1=O	ZINC001398439723	924643321	/nfs/dbraw/zinc/64/33/21/924643321.db2.gz	SBYNKPVUDKFXPA-BDAKNGLRSA-N	-1	1	323.357	-1.482	20	0		DAADMM
C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NCc1ccn(C)n1	ZINC001398926824	924679257	/nfs/dbraw/zinc/67/92/57/924679257.db2.gz	GUAINSAYQQAWQE-SSDOTTSWSA-N	-1	1	307.314	-1.076	20	0		DAADMM
C[C@H](CNC(=O)c1cc(=O)n(C)cn1)NCc1n[nH]c(=O)[n-]1	ZINC001398948683	924680417	/nfs/dbraw/zinc/68/04/17/924680417.db2.gz	LYMRXIRULLIJTO-SSDOTTSWSA-N	-1	1	307.314	-1.488	20	0		DAADMM
CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CCN(C)C1=O	ZINC001399728367	924719752	/nfs/dbraw/zinc/71/97/52/924719752.db2.gz	ABZZBDYGBQSPAI-MRVPVSSYSA-N	-1	1	324.341	-1.435	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](CNC(=O)Cn3cccn3)C2)nc1=O	ZINC001399903486	924755556	/nfs/dbraw/zinc/75/55/56/924755556.db2.gz	VRGFBJSHPFNREQ-NSHDSACASA-N	-1	1	319.369	-1.057	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)Cn3cnnn3)C2)nc1=O	ZINC001400482981	924804856	/nfs/dbraw/zinc/80/48/56/924804856.db2.gz	MVKSTYLJDKUBKO-UHFFFAOYSA-N	-1	1	307.318	-2.657	20	0		DAADMM
CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[n-]1	ZINC001400582802	924813521	/nfs/dbraw/zinc/81/35/21/924813521.db2.gz	WKTCMZIEJQHHCB-QWRGUYRKSA-N	-1	1	322.369	-1.628	20	0		DAADMM
CC[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)NCc1n[nH]c(=O)[n-]1	ZINC001400794096	924831355	/nfs/dbraw/zinc/83/13/55/924831355.db2.gz	LALBKLLMOCTZHD-UWVGGRQHSA-N	-1	1	312.374	-1.175	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)[C@@H]1CCNC(=O)C1	ZINC001401214904	924850694	/nfs/dbraw/zinc/85/06/94/924850694.db2.gz	KMRQZLPCHVSJEA-RKDXNWHRSA-N	-1	1	310.358	-1.027	20	0		DAADMM
O=C(CC[C@H]1CCOC1)NC[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001401513017	924873350	/nfs/dbraw/zinc/87/33/50/924873350.db2.gz	VWCRPKCDRULULF-VHSXEESVSA-N	-1	1	313.358	-1.106	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@H]1CCNC(=O)C1	ZINC001401743118	924918303	/nfs/dbraw/zinc/91/83/03/924918303.db2.gz	ZLVKWAWZWIUVRY-ZJUUUORDSA-N	-1	1	324.385	-1.429	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1CCNC(=O)C1	ZINC001401743115	924918841	/nfs/dbraw/zinc/91/88/41/924918841.db2.gz	ZLVKWAWZWIUVRY-NXEZZACHSA-N	-1	1	324.385	-1.429	20	0		DAADMM
CC(=O)NCC(=O)N[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001402057683	924943127	/nfs/dbraw/zinc/94/31/27/924943127.db2.gz	PROAQMUVFMUZLE-JTQLQIEISA-N	-1	1	310.358	-1.675	20	0		DAADMM
CC(=O)N(C)CC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001402154903	924949388	/nfs/dbraw/zinc/94/93/88/924949388.db2.gz	JMHFLSAHZVGSKX-SNVBAGLBSA-N	-1	1	310.358	-1.723	20	0		DAADMM
CC[C@@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001402359103	924987524	/nfs/dbraw/zinc/98/75/24/924987524.db2.gz	WRFQVFNFLTVTFI-NXEZZACHSA-N	-1	1	309.370	-1.183	20	0		DAADMM
C[C@H](CNC(=O)[C@H](C)n1cncn1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001403119288	925055408	/nfs/dbraw/zinc/05/54/08/925055408.db2.gz	CUKHVTCCEPBWES-ZJUUUORDSA-N	-1	1	322.373	-1.102	20	0		DAADMM
CCn1cc(C(=O)NC[C@@H](C)N(C)Cc2nc(=O)n(C)[n-]2)nn1	ZINC001403207078	925062178	/nfs/dbraw/zinc/06/21/78/925062178.db2.gz	XBNCPBRBBKRNEN-SECBINFHSA-N	-1	1	322.373	-1.030	20	0		DAADMM
C[C@H](CN(C)C(=O)CCn1cnnn1)NCc1n[nH]c(=O)[n-]1	ZINC001403617590	925089741	/nfs/dbraw/zinc/08/97/41/925089741.db2.gz	WGRUYQKFTNSQQR-MRVPVSSYSA-N	-1	1	309.334	-1.476	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)CC(F)(F)F)nc1=O	ZINC001403652524	925098446	/nfs/dbraw/zinc/09/84/46/925098446.db2.gz	QROJQAATZVTKRC-LURJTMIESA-N	-1	1	311.264	-1.373	20	0		DAADMM
CN(CCNC(=O)[C@@]1(C)CCC(=O)NC1)Cc1nc(=O)n(C)[n-]1	ZINC001403664295	925106226	/nfs/dbraw/zinc/10/62/26/925106226.db2.gz	GBVFGQFLSDSVPG-AWEZNQCLSA-N	-1	1	324.385	-1.427	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)[C@H]2CC23CCC3)nc1=O	ZINC001403705906	925122879	/nfs/dbraw/zinc/12/28/79/925122879.db2.gz	UCUNPZAEOIUHJE-VHSXEESVSA-N	-1	1	309.370	-1.135	20	0		DAADMM
CCN(CCNC(=O)[C@@H](C)NC(C)=O)Cc1nc(=O)n(C)[n-]1	ZINC001403815929	925142356	/nfs/dbraw/zinc/14/23/56/925142356.db2.gz	QKRQBZIFPZCLFP-SECBINFHSA-N	-1	1	312.374	-1.429	20	0		DAADMM
CCN(CCNC(=O)[C@H](C)NC(C)=O)Cc1nc(=O)n(C)[n-]1	ZINC001403815932	925143056	/nfs/dbraw/zinc/14/30/56/925143056.db2.gz	QKRQBZIFPZCLFP-VIFPVBQESA-N	-1	1	312.374	-1.429	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)Cc1ccc[nH]1	ZINC001403886645	925164809	/nfs/dbraw/zinc/16/48/09/925164809.db2.gz	VOOSKPSSDHFUFM-JTQLQIEISA-N	-1	1	308.342	-1.010	20	0		DAADMM
CNC(=O)CN(C)C[C@H](O)CN(C)C(=O)c1ncccc1[O-]	ZINC001403912905	925173486	/nfs/dbraw/zinc/17/34/86/925173486.db2.gz	PWWWDRHOBYRXDG-JTQLQIEISA-N	-1	1	310.354	-1.102	20	0		DAADMM
C[C@H](CN1CCOCC1)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001404840051	925219302	/nfs/dbraw/zinc/21/93/02/925219302.db2.gz	TWVFEFSRBRLLJD-SNVBAGLBSA-N	-1	1	324.385	-1.221	20	0		DAADMM
CCOCC(=O)NC[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CCO1	ZINC001405733663	925333183	/nfs/dbraw/zinc/33/31/83/925333183.db2.gz	QWPDHUBWVMCHEK-SNVBAGLBSA-N	-1	1	313.358	-1.538	20	0		DAADMM
CC(=O)N1CC(C(=O)N(C)[C@@H](C)CNCc2n[nH]c(=O)[n-]2)C1	ZINC001405804375	925336373	/nfs/dbraw/zinc/33/63/73/925336373.db2.gz	IYUDANYWTYIFQW-QMMMGPOBSA-N	-1	1	310.358	-1.075	20	0		DAADMM
COC(=O)NCC(=O)N(C)CCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001406076581	925343028	/nfs/dbraw/zinc/34/30/28/925343028.db2.gz	OXTYZRORPDMCND-UHFFFAOYSA-N	-1	1	314.346	-1.645	20	0		DAADMM
CN(CCN(C)C(=O)[C@H]1CCCC(=O)N1)Cc1nc(=O)n(C)[n-]1	ZINC001406106138	925345373	/nfs/dbraw/zinc/34/53/73/925345373.db2.gz	FQFIZCYJISJOGN-SNVBAGLBSA-N	-1	1	324.385	-1.333	20	0		DAADMM
O=C(NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1)[C@H]1CCCOCC1	ZINC001406216908	925358723	/nfs/dbraw/zinc/35/87/23/925358723.db2.gz	MXJYDEYYJBVRJP-UWVGGRQHSA-N	-1	1	313.358	-1.106	20	0		DAADMM
CO[C@@H](C(=O)NC[C@H](O)CNCc1n[nH]c(=O)[n-]1)C1CCC1	ZINC001406258199	925381477	/nfs/dbraw/zinc/38/14/77/925381477.db2.gz	YUTYBIYEDQAEPV-MWLCHTKSSA-N	-1	1	313.358	-1.108	20	0		DAADMM
CN1CCO[C@@H](C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)C1	ZINC001406760843	925431384	/nfs/dbraw/zinc/43/13/84/925431384.db2.gz	YOFNIWCCMWXTCN-GHMZBOCLSA-N	-1	1	324.385	-1.175	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)CCn2cnnn2)nc1=O	ZINC001406882099	925441730	/nfs/dbraw/zinc/44/17/30/925441730.db2.gz	SLHHVLMTXSTYAZ-SECBINFHSA-N	-1	1	321.345	-2.124	20	0		DAADMM
C[C@]1(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCN(CCO)C1	ZINC001407167998	925456465	/nfs/dbraw/zinc/45/64/65/925456465.db2.gz	FSCCMNFCXUTSKD-AWEZNQCLSA-N	-1	1	320.353	-1.356	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](O)(CNC(=O)C(C)(F)F)C2)nc1=O	ZINC001407315152	925462201	/nfs/dbraw/zinc/46/22/01/925462201.db2.gz	JWGMTHIFEMWYCE-GFCCVEGCSA-N	-1	1	319.312	-1.183	20	0		DAADMM
COC[C@H](C)C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001407397004	925479708	/nfs/dbraw/zinc/47/97/08/925479708.db2.gz	HSKLWQSPMJNAEI-VIFPVBQESA-N	-1	1	313.358	-1.946	20	0		DAADMM
CC[C@H](C)CN1CC(O)(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001407477103	925497749	/nfs/dbraw/zinc/49/77/49/925497749.db2.gz	PYFANDFYVHEHTI-VIFPVBQESA-N	-1	1	313.358	-1.102	20	0		DAADMM
COCCC(=O)NCCN(C)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001408508105	925570815	/nfs/dbraw/zinc/57/08/15/925570815.db2.gz	JXHUIXOSXBKBNX-UHFFFAOYSA-N	-1	1	322.325	-1.358	20	0		DAADMM
C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)[C@H]1CCN(C)C1=O	ZINC001409603556	925637961	/nfs/dbraw/zinc/63/79/61/925637961.db2.gz	RLKICIIYKIXELJ-YUMQZZPRSA-N	-1	1	324.341	-1.436	20	0		DAADMM
COCC(=O)NC[C@@H](C)CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001409660658	925642216	/nfs/dbraw/zinc/64/22/16/925642216.db2.gz	RLUMIQGURUPNMP-MRVPVSSYSA-N	-1	1	322.325	-1.454	20	0		DAADMM
C[C@H](CN(C)C(=O)CCS(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001410392406	925715530	/nfs/dbraw/zinc/71/55/30/925715530.db2.gz	KMVOPLNIUQSCAW-MRVPVSSYSA-N	-1	1	319.387	-1.119	20	0		DAADMM
C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)n1)NCc1n[nH]c(=O)[n-]1	ZINC001410484597	925721996	/nfs/dbraw/zinc/72/19/96/925721996.db2.gz	ZKQDOKXDVILNMR-QMMMGPOBSA-N	-1	1	321.341	-1.146	20	0		DAADMM
C[C@H](CN(C)C(=O)c1ccc(=O)n(C)n1)NCc1n[nH]c(=O)[n-]1	ZINC001410484568	925722031	/nfs/dbraw/zinc/72/20/31/925722031.db2.gz	ZKQDOKXDVILNMR-MRVPVSSYSA-N	-1	1	321.341	-1.146	20	0		DAADMM
Cn1ccc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)c1	ZINC001410606502	925738803	/nfs/dbraw/zinc/73/88/03/925738803.db2.gz	ZFOXRAJBAHXAJJ-SNVBAGLBSA-N	-1	1	308.342	-1.673	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)CCc2ccon2)nc1=O	ZINC001410689521	925759847	/nfs/dbraw/zinc/75/98/47/925759847.db2.gz	CFZQKRXLSLWCJB-SNVBAGLBSA-N	-1	1	324.341	-1.704	20	0		DAADMM
Cc1conc1C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001410770986	925774942	/nfs/dbraw/zinc/77/49/42/925774942.db2.gz	PTRDMQOJEDFDTO-QMMMGPOBSA-N	-1	1	310.314	-1.715	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1ccnn1C	ZINC001410969547	925797845	/nfs/dbraw/zinc/79/78/45/925797845.db2.gz	CQTXXXFBUMHXPH-QMMMGPOBSA-N	-1	1	309.330	-1.534	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)C[C@@H]1CCCO1	ZINC001410999076	925800871	/nfs/dbraw/zinc/80/08/71/925800871.db2.gz	WJUDTFMOBAXIEN-ZJUUUORDSA-N	-1	1	313.358	-1.012	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)Cc1ccn(C)n1	ZINC001411075346	925810012	/nfs/dbraw/zinc/81/00/12/925810012.db2.gz	TVVOFUZAIFXJDM-JTQLQIEISA-N	-1	1	323.357	-1.605	20	0		DAADMM
NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)O1	ZINC001411778114	925858042	/nfs/dbraw/zinc/85/80/42/925858042.db2.gz	PASFBWFNLUJKLW-KXUCPTDWSA-N	-1	1	324.341	-1.087	20	0		DAADMM
CCn1nc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)ccc1=O	ZINC001411778946	925858709	/nfs/dbraw/zinc/85/87/09/925858709.db2.gz	PZOBJFPZLSJDOT-SECBINFHSA-N	-1	1	305.298	-1.010	20	0		DAADMM
CNS(=O)(=O)NCC(=O)N1CCSC[C@@H]1c1nn[n-]n1	ZINC001412038980	925869194	/nfs/dbraw/zinc/86/91/94/925869194.db2.gz	AMCOQKITSASJGY-ZCFIWIBFSA-N	-1	1	321.388	-2.130	20	0		DAADMM
Cn1cc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)n(C)c1=O	ZINC001412054476	925870629	/nfs/dbraw/zinc/87/06/29/925870629.db2.gz	DEEMASLPRQGZAN-UHFFFAOYSA-N	-1	1	307.314	-1.639	20	0		DAADMM
Cn1cnn(CCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1=O	ZINC001412056460	925870903	/nfs/dbraw/zinc/87/09/03/925870903.db2.gz	IHQKDFQBMSRQAY-SECBINFHSA-N	-1	1	306.330	-1.109	20	0		DAADMM
C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H](c2nn[n-]n2)C1	ZINC001412058124	925870985	/nfs/dbraw/zinc/87/09/85/925870985.db2.gz	MDQBVOTXSDKUKX-YUMQZZPRSA-N	-1	1	302.360	-1.157	20	0		DAADMM
NS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cnncc1O	ZINC001412124450	925875301	/nfs/dbraw/zinc/87/53/01/925875301.db2.gz	BIUZHQARPFUJTL-MRVPVSSYSA-N	-1	1	315.355	-1.030	20	0		DAADMM
NS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cnncc1[O-]	ZINC001412124450	925875307	/nfs/dbraw/zinc/87/53/07/925875307.db2.gz	BIUZHQARPFUJTL-MRVPVSSYSA-N	-1	1	315.355	-1.030	20	0		DAADMM
NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cnncc1O	ZINC001412124475	925875779	/nfs/dbraw/zinc/87/57/79/925875779.db2.gz	BIUZHQARPFUJTL-QMMMGPOBSA-N	-1	1	315.355	-1.030	20	0		DAADMM
NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cnncc1[O-]	ZINC001412124475	925875789	/nfs/dbraw/zinc/87/57/89/925875789.db2.gz	BIUZHQARPFUJTL-QMMMGPOBSA-N	-1	1	315.355	-1.030	20	0		DAADMM
C[C@@]1(CO)C[C@@H](O)CN1C(=O)CNC(=O)c1ncccc1[O-]	ZINC001412386798	925890060	/nfs/dbraw/zinc/89/00/60/925890060.db2.gz	ZYTBQQLYHOBOGX-OTYXRUKQSA-N	-1	1	309.322	-1.139	20	0		DAADMM
C[C@@]1(CO)C[C@H](O)CN1C(=O)CNC(=O)c1ncccc1[O-]	ZINC001412386808	925890527	/nfs/dbraw/zinc/89/05/27/925890527.db2.gz	ZYTBQQLYHOBOGX-XPTSAGLGSA-N	-1	1	309.322	-1.139	20	0		DAADMM
CN(C)S(=O)(=O)N1CC(NC(=O)c2cnncc2[O-])C1	ZINC001412406661	925893934	/nfs/dbraw/zinc/89/39/34/925893934.db2.gz	KLJQVQRQOAUFEY-UHFFFAOYSA-N	-1	1	301.328	-1.597	20	0		DAADMM
CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001412429267	925895735	/nfs/dbraw/zinc/89/57/35/925895735.db2.gz	CVHXMTZJRNCZHP-JGVFFNPUSA-N	-1	1	318.359	-1.573	20	0		DAADMM
CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001412429291	925896650	/nfs/dbraw/zinc/89/66/50/925896650.db2.gz	CVHXMTZJRNCZHP-YUMQZZPRSA-N	-1	1	318.359	-1.573	20	0		DAADMM
O=C(C[C@H]1CCS(=O)(=O)C1)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001412429363	925897083	/nfs/dbraw/zinc/89/70/83/925897083.db2.gz	DGNPCGHUOJSWNG-RKDXNWHRSA-N	-1	1	315.355	-1.076	20	0		DAADMM
CCC[C@H](C(=O)N1CC[C@@H](c2nn[n-]n2)C1)S(N)(=O)=O	ZINC001412493321	925903452	/nfs/dbraw/zinc/90/34/52/925903452.db2.gz	UYHFZJCFXKBMDV-HTQZYQBOSA-N	-1	1	302.360	-1.027	20	0		DAADMM
CNC(=O)NC[C@@H]1COCCN1C(=O)CCCc1nn[n-]n1	ZINC001412502022	925904808	/nfs/dbraw/zinc/90/48/08/925904808.db2.gz	UMIKJJGLBANFPT-SECBINFHSA-N	-1	1	311.346	-1.321	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC(=O)NCC12COC2	ZINC001412506965	925906594	/nfs/dbraw/zinc/90/65/94/925906594.db2.gz	CSBZYGRWJYTXGA-UHFFFAOYSA-N	-1	1	324.293	-1.373	20	0		DAADMM
O=C(CNC(=O)N1CCCC1)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001412530945	925907277	/nfs/dbraw/zinc/90/72/77/925907277.db2.gz	KALHYSVKCQJFPM-SECBINFHSA-N	-1	1	309.330	-1.095	20	0		DAADMM
O=C(C1=C2CCCN=C2NN1)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001412535915	925909386	/nfs/dbraw/zinc/90/93/86/925909386.db2.gz	VCYDDNLYEMPWGH-MRVPVSSYSA-N	-1	1	304.314	-1.346	20	0		DAADMM
CN1CCn2c(CNC(=O)CCCc3nn[n-]n3)nnc2C1=O	ZINC001412540292	925910262	/nfs/dbraw/zinc/91/02/62/925910262.db2.gz	CHKWPJXESSJNGY-UHFFFAOYSA-N	-1	1	319.329	-1.484	20	0		DAADMM
CNS(=O)(=O)[C@@H]1CCN(C(=O)CCCc2nn[n-]n2)C1	ZINC001412723996	925928171	/nfs/dbraw/zinc/92/81/71/925928171.db2.gz	LPVYASAQZDAXFR-MRVPVSSYSA-N	-1	1	302.360	-1.328	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CC(S(N)(=O)=O)C2)o1	ZINC001413089536	926009688	/nfs/dbraw/zinc/00/96/88/926009688.db2.gz	UGPZJMXSTMIWHP-UHFFFAOYSA-N	-1	1	323.352	-1.699	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NC[C@@]2(O)CCOC2)[n-]n1	ZINC001413317246	926033427	/nfs/dbraw/zinc/03/34/27/926033427.db2.gz	IGOCNFIKMMUFSY-JTQLQIEISA-N	-1	1	305.312	-1.374	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NC[C@@]2(O)CCOC2)n[n-]1	ZINC001413317246	926033431	/nfs/dbraw/zinc/03/34/31/926033431.db2.gz	IGOCNFIKMMUFSY-JTQLQIEISA-N	-1	1	305.312	-1.374	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)O[C@H](CO)C2)[n-]n1	ZINC001413324903	926034832	/nfs/dbraw/zinc/03/48/32/926034832.db2.gz	GFCYXSKZNRNEPP-YUMQZZPRSA-N	-1	1	319.339	-1.033	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)O[C@H](CO)C2)n[n-]1	ZINC001413324903	926034839	/nfs/dbraw/zinc/03/48/39/926034839.db2.gz	GFCYXSKZNRNEPP-YUMQZZPRSA-N	-1	1	319.339	-1.033	20	0		DAADMM
O=S(=O)([N-]C[C@@]1(O)CCS(=O)(=O)C1)c1ccns1	ZINC001413351783	926041611	/nfs/dbraw/zinc/04/16/11/926041611.db2.gz	CBXSYBJVKHUMTL-QMMMGPOBSA-N	-1	1	312.394	-1.029	20	0		DAADMM
CS(=O)(=O)CCS(=O)(=O)[N-][C@@H](C(N)=O)c1ccccn1	ZINC001413361204	926044020	/nfs/dbraw/zinc/04/40/20/926044020.db2.gz	ZSXYBIGHSBNROZ-SECBINFHSA-N	-1	1	321.380	-1.428	20	0		DAADMM
Cc1cc(O)cc(=O)n1CC(=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001413387376	926048564	/nfs/dbraw/zinc/04/85/64/926048564.db2.gz	MTNNGUYMFGIGBF-SNVBAGLBSA-N	-1	1	320.309	-1.024	20	0		DAADMM
CS(=O)(=O)NCCC(=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001413386657	926048685	/nfs/dbraw/zinc/04/86/85/926048685.db2.gz	LSUCUQVQOIVYSW-SSDOTTSWSA-N	-1	1	304.332	-1.961	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCc2cnoc2)c(=O)[nH]c1=O	ZINC001413427957	926053679	/nfs/dbraw/zinc/05/36/79/926053679.db2.gz	ZTZGFOPPAFGPMO-UHFFFAOYSA-N	-1	1	300.296	-1.005	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CC(CO)(CO)C2)[n-]n1	ZINC001413445530	926054535	/nfs/dbraw/zinc/05/45/35/926054535.db2.gz	YARWBNVFNQZDKA-UHFFFAOYSA-N	-1	1	305.312	-1.828	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CC(CO)(CO)C2)n[n-]1	ZINC001413445530	926054545	/nfs/dbraw/zinc/05/45/45/926054545.db2.gz	YARWBNVFNQZDKA-UHFFFAOYSA-N	-1	1	305.312	-1.828	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c(=O)[nH]c1=O	ZINC001413459030	926057193	/nfs/dbraw/zinc/05/71/93/926057193.db2.gz	NTELVKIDWVPLMT-KUIGQIJESA-N	-1	1	313.335	-1.060	20	0		DAADMM
CN(CCNC(=O)CCc1nn[n-]n1)CCS(C)(=O)=O	ZINC001413506589	926059443	/nfs/dbraw/zinc/05/94/43/926059443.db2.gz	IWBITEYZZAROGI-UHFFFAOYSA-N	-1	1	304.376	-1.775	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(C)CC(=O)N(C)C)[n-]n1	ZINC001414191670	926109300	/nfs/dbraw/zinc/10/93/00/926109300.db2.gz	XOGBIBZYEXGFQI-UHFFFAOYSA-N	-1	1	304.328	-1.095	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(C)CC(=O)N(C)C)n[n-]1	ZINC001414191670	926109308	/nfs/dbraw/zinc/10/93/08/926109308.db2.gz	XOGBIBZYEXGFQI-UHFFFAOYSA-N	-1	1	304.328	-1.095	20	0		DAADMM
C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)c1nncn1C	ZINC001414194407	926109584	/nfs/dbraw/zinc/10/95/84/926109584.db2.gz	IRZOFZDECQRNEP-LURJTMIESA-N	-1	1	314.327	-1.346	20	0		DAADMM
C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)NCCF	ZINC001414245346	926112787	/nfs/dbraw/zinc/11/27/87/926112787.db2.gz	BVSYXOJRWGTDRR-ZCFIWIBFSA-N	-1	1	322.318	-1.762	20	0		DAADMM
CO[C@@]1(C[N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)CCOC1	ZINC001414242456	926113062	/nfs/dbraw/zinc/11/30/62/926113062.db2.gz	QLYYJUPYPJXZBT-LLVKDONJSA-N	-1	1	319.339	-1.430	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H]2C(=O)NCC[C@H]2C)[n-]n1	ZINC001414247728	926113122	/nfs/dbraw/zinc/11/31/22/926113122.db2.gz	IGROKQTVGOOVNI-HZGVNTEJSA-N	-1	1	316.339	-1.001	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H]2C(=O)NCC[C@H]2C)n[n-]1	ZINC001414247728	926113128	/nfs/dbraw/zinc/11/31/28/926113128.db2.gz	IGROKQTVGOOVNI-HZGVNTEJSA-N	-1	1	316.339	-1.001	20	0		DAADMM
COC(=O)C1(S(=O)(=O)[N-][C@@]2(C(N)=O)CCOC2)CCC1	ZINC001414293595	926115790	/nfs/dbraw/zinc/11/57/90/926115790.db2.gz	PVFGFXLHXCCKKX-JTQLQIEISA-N	-1	1	306.340	-1.354	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCO[C@H]([C@@H](C)O)C2)[n-]n1	ZINC001414278559	926116327	/nfs/dbraw/zinc/11/63/27/926116327.db2.gz	QFRKZBQHCXTYJJ-APPZFPTMSA-N	-1	1	319.339	-1.033	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCO[C@H]([C@@H](C)O)C2)n[n-]1	ZINC001414278559	926116332	/nfs/dbraw/zinc/11/63/32/926116332.db2.gz	QFRKZBQHCXTYJJ-APPZFPTMSA-N	-1	1	319.339	-1.033	20	0		DAADMM
CC[C@@H](C[C@H](C)O)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC001414324609	926117269	/nfs/dbraw/zinc/11/72/69/926117269.db2.gz	JNSQNDGKRYXABG-IUCAKERBSA-N	-1	1	319.383	-1.088	20	0		DAADMM
CC[C@H](C[C@H](C)O)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC001414324603	926117598	/nfs/dbraw/zinc/11/75/98/926117598.db2.gz	JNSQNDGKRYXABG-DTWKUNHWSA-N	-1	1	319.383	-1.088	20	0		DAADMM
CC(=O)N1CC(C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)C1	ZINC001415118047	926162020	/nfs/dbraw/zinc/16/20/20/926162020.db2.gz	JAHNZAXYZRAZAS-UHFFFAOYSA-N	-1	1	322.369	-1.769	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)CN3CCCC3=O)CC2)nc1=O	ZINC001415109751	926162111	/nfs/dbraw/zinc/16/21/11/926162111.db2.gz	RSINSVWLXOEHIS-UHFFFAOYSA-N	-1	1	322.369	-1.625	20	0		DAADMM
Cn1cnc(C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)n1	ZINC001415125925	926164562	/nfs/dbraw/zinc/16/45/62/926164562.db2.gz	RJCZDBZPCKYTJV-UHFFFAOYSA-N	-1	1	306.330	-1.805	20	0		DAADMM
CNC(=O)NCC(=O)NC1CN(C(=O)c2ncccc2[O-])C1	ZINC001416006751	926216372	/nfs/dbraw/zinc/21/63/72/926216372.db2.gz	LNHCAMZHEKWRST-UHFFFAOYSA-N	-1	1	307.310	-1.343	20	0		DAADMM
CC[C@H](CNC(=O)COC)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001416169193	926231815	/nfs/dbraw/zinc/23/18/15/926231815.db2.gz	HESHYLICHZEUSS-MRVPVSSYSA-N	-1	1	322.325	-1.311	20	0		DAADMM
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)c1nn[n-]n1	ZINC001417566762	926318298	/nfs/dbraw/zinc/31/82/98/926318298.db2.gz	XGOSDFGVLXWWMA-UHFFFAOYSA-N	-1	1	311.346	-1.028	20	0		DAADMM
NC(=O)N1CCC[C@H](C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1	ZINC001417636275	926321847	/nfs/dbraw/zinc/32/18/47/926321847.db2.gz	VLINOYOCIMLZOL-IUCAKERBSA-N	-1	1	309.330	-1.110	20	0		DAADMM
NC(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1	ZINC001417636271	926322726	/nfs/dbraw/zinc/32/27/26/926322726.db2.gz	VLINOYOCIMLZOL-BDAKNGLRSA-N	-1	1	309.330	-1.110	20	0		DAADMM
COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)O1	ZINC001417636122	926323211	/nfs/dbraw/zinc/32/32/11/926323211.db2.gz	SRQVJLWFZNHZKG-HRDYMLBCSA-N	-1	1	311.298	-1.180	20	0		DAADMM
O=C([C@H]1CCC2N=NC(=O)N2C1)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001417636381	926323251	/nfs/dbraw/zinc/32/32/51/926323251.db2.gz	YDFTYFRSOXJPCZ-YUMQZZPRSA-N	-1	1	320.313	-1.341	20	0		DAADMM
O=C([C@H]1CCC2N=NC(=O)N2C1)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001417636379	926323273	/nfs/dbraw/zinc/32/32/73/926323273.db2.gz	YDFTYFRSOXJPCZ-JGVFFNPUSA-N	-1	1	320.313	-1.341	20	0		DAADMM
O=C([C@@H]1CCC2N=NC(=O)N2C1)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001417636380	926323465	/nfs/dbraw/zinc/32/34/65/926323465.db2.gz	YDFTYFRSOXJPCZ-SFYZADRCSA-N	-1	1	320.313	-1.341	20	0		DAADMM
O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC001417689120	926328775	/nfs/dbraw/zinc/32/87/75/926328775.db2.gz	PVWFJKVIWXHHCX-MRVPVSSYSA-N	-1	1	305.298	-1.132	20	0		DAADMM
CC(=O)OC[C@H](CO)NC(=O)CNC(=O)c1ncccc1[O-]	ZINC001417712732	926330111	/nfs/dbraw/zinc/33/01/11/926330111.db2.gz	IQNCMDRGCDZQDX-VIFPVBQESA-N	-1	1	311.294	-1.443	20	0		DAADMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)Cc1nnc[nH]1	ZINC001417743082	926333059	/nfs/dbraw/zinc/33/30/59/926333059.db2.gz	ILPXCGGCHGHSTJ-VIFPVBQESA-N	-1	1	320.357	-1.498	20	0		DAADMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)Cc1nnc[nH]1	ZINC001417743077	926333815	/nfs/dbraw/zinc/33/38/15/926333815.db2.gz	ILPXCGGCHGHSTJ-SECBINFHSA-N	-1	1	320.357	-1.498	20	0		DAADMM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H](CO)CN1CCCC1	ZINC001417884806	926345195	/nfs/dbraw/zinc/34/51/95/926345195.db2.gz	BMANUQIKMATFOB-JTQLQIEISA-N	-1	1	320.353	-1.356	20	0		DAADMM
O=C(NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cnn[nH]1	ZINC001417922158	926349143	/nfs/dbraw/zinc/34/91/43/926349143.db2.gz	RJYQMYKZIXHANZ-UHFFFAOYSA-N	-1	1	321.345	-1.824	20	0		DAADMM
C[C@H](CCNC(=O)[C@@H](C)S(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001418403754	926389716	/nfs/dbraw/zinc/38/97/16/926389716.db2.gz	HLRCBEJZKLLPOE-HTQZYQBOSA-N	-1	1	319.387	-1.072	20	0		DAADMM
CNC(=O)CCCC(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001418453297	926390433	/nfs/dbraw/zinc/39/04/33/926390433.db2.gz	AKSGIYWTNRDWFH-UHFFFAOYSA-N	-1	1	312.374	-1.427	20	0		DAADMM
CN1C2(CCC2)COC[C@]1(CO)CNC(=O)CCc1nn[n-]n1	ZINC001418481471	926394496	/nfs/dbraw/zinc/39/44/96/926394496.db2.gz	BOSUZYVIHAQGQU-CQSZACIVSA-N	-1	1	324.385	-1.136	20	0		DAADMM
CCN(CCNC(=O)[C@@H](C)CC(N)=O)Cc1nc(=O)n(C)[n-]1	ZINC001418557906	926404387	/nfs/dbraw/zinc/40/43/87/926404387.db2.gz	FKHUGCSMDWISCX-VIFPVBQESA-N	-1	1	312.374	-1.442	20	0		DAADMM
C[C@@H](C(=O)NC(N)=O)N1CC(NC(=O)c2ncccc2[O-])C1	ZINC001418975819	926437998	/nfs/dbraw/zinc/43/79/98/926437998.db2.gz	UNVKAQUPZRCZOT-ZETCQYMHSA-N	-1	1	307.310	-1.215	20	0		DAADMM
O=C(CN1CCC(=O)NC1=O)N1CCC(c2nn[n-]n2)CC1	ZINC001418998245	926440452	/nfs/dbraw/zinc/44/04/52/926440452.db2.gz	QVMMXYAYTKKTEI-UHFFFAOYSA-N	-1	1	307.314	-1.152	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CCCn3cncn3)C2)nc1=O	ZINC001418994316	926440472	/nfs/dbraw/zinc/44/04/72/926440472.db2.gz	NFRFMAYMHRERII-UHFFFAOYSA-N	-1	1	320.357	-1.519	20	0		DAADMM
CC(=O)NCC(C)(C)C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001418994620	926440511	/nfs/dbraw/zinc/44/05/11/926440511.db2.gz	QLCRBANWTZOZEE-UHFFFAOYSA-N	-1	1	324.385	-1.429	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)C[C@@H]3COC(=O)C3)C2)nc1=O	ZINC001419017459	926444750	/nfs/dbraw/zinc/44/47/50/926444750.db2.gz	UHHVFGPBKNXPMJ-VIFPVBQESA-N	-1	1	323.353	-1.390	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)CCCC(N)=O)nc1=O	ZINC001419053914	926449704	/nfs/dbraw/zinc/44/97/04/926449704.db2.gz	LFJGCEUXQUEXDN-UWVGGRQHSA-N	-1	1	322.369	-1.451	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)CCn3cncn3)C2)nc1=O	ZINC001419056081	926450184	/nfs/dbraw/zinc/45/01/84/926450184.db2.gz	CULZYGYTKBUQJH-JTQLQIEISA-N	-1	1	320.357	-1.519	20	0		DAADMM
COC[C@H](OC)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001419062503	926452026	/nfs/dbraw/zinc/45/20/26/926452026.db2.gz	OZDOCDMLNONYAH-UWVGGRQHSA-N	-1	1	313.358	-1.540	20	0		DAADMM
O=C(NC[C@H](NCc1n[nH]c(=O)[n-]1)C1CC1)[C@H]1COCCO1	ZINC001419233068	926469063	/nfs/dbraw/zinc/46/90/63/926469063.db2.gz	IZLIYASMTLENGX-VHSXEESVSA-N	-1	1	311.342	-1.090	20	0		DAADMM
COC[C@@H](NC(=O)C[C@H]1CCCS1(=O)=O)c1nn[n-]n1	ZINC001419555495	926485208	/nfs/dbraw/zinc/48/52/08/926485208.db2.gz	QYCRVLSAISWCSL-HTQZYQBOSA-N	-1	1	303.344	-1.029	20	0		DAADMM
COC[C@H](NC(=O)C[C@@H]1CCCS1(=O)=O)c1nn[n-]n1	ZINC001419555504	926485931	/nfs/dbraw/zinc/48/59/31/926485931.db2.gz	QYCRVLSAISWCSL-YUMQZZPRSA-N	-1	1	303.344	-1.029	20	0		DAADMM
CO[C@@H](C)C(=O)NC[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CCO1	ZINC001419559307	926485986	/nfs/dbraw/zinc/48/59/86/926485986.db2.gz	YRKAWHCSBYWXQL-UWVGGRQHSA-N	-1	1	313.358	-1.540	20	0		DAADMM
COC[C@@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1)c1nn[n-]n1	ZINC001419552360	926486067	/nfs/dbraw/zinc/48/60/67/926486067.db2.gz	LOAFWZKKMGZQJD-FNCVBFRFSA-N	-1	1	313.314	-1.030	20	0		DAADMM
C[C@H](CCNC(=O)C1CS(=O)(=O)C1)NCc1n[nH]c(=O)[n-]1	ZINC001420111945	926527134	/nfs/dbraw/zinc/52/71/34/926527134.db2.gz	OWXJDVWBBFJHSC-SSDOTTSWSA-N	-1	1	317.371	-1.461	20	0		DAADMM
CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001420137586	926538225	/nfs/dbraw/zinc/53/82/25/926538225.db2.gz	ZNJKVLNPCRHZMY-YWVKMMECSA-N	-1	1	313.358	-1.108	20	0		DAADMM
O=C(Cc1ncccc1F)NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001420157029	926546696	/nfs/dbraw/zinc/54/66/96/926546696.db2.gz	QMVZCOFEMJVRBG-QMMMGPOBSA-N	-1	1	324.316	-1.146	20	0		DAADMM
CN(CCNC(=O)[C@@H]1CC(=O)N(C)C1)Cc1nc(=O)n(C)[n-]1	ZINC001420231277	926569173	/nfs/dbraw/zinc/56/91/73/926569173.db2.gz	CZHTUUBYKGBMMD-SECBINFHSA-N	-1	1	310.358	-1.865	20	0		DAADMM
CN(CCNC(=O)C[C@H]1CCCC(=O)N1)Cc1nc(=O)n(C)[n-]1	ZINC001420265722	926573526	/nfs/dbraw/zinc/57/35/26/926573526.db2.gz	DQCHTQHFBUHAGS-SNVBAGLBSA-N	-1	1	324.385	-1.285	20	0		DAADMM
CN(CCNC(=O)Cn1ncn(C)c1=O)Cc1nc(=O)n(C)[n-]1	ZINC001420259563	926573789	/nfs/dbraw/zinc/57/37/89/926573789.db2.gz	ZIKXIKRNFJWLGH-UHFFFAOYSA-N	-1	1	324.345	-2.748	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@H]1COCCO1	ZINC001420540163	926602118	/nfs/dbraw/zinc/60/21/18/926602118.db2.gz	GRRHRTAEZHRGNO-NXEZZACHSA-N	-1	1	313.358	-1.540	20	0		DAADMM
Cc1nnc(CC(=O)N[C@H](C)CN(C)Cc2nc(=O)n(C)[n-]2)o1	ZINC001420559986	926602273	/nfs/dbraw/zinc/60/22/73/926602273.db2.gz	IRZIFNLYMQATQO-MRVPVSSYSA-N	-1	1	323.357	-1.021	20	0		DAADMM
Cn1[n-]c(CN(CCNC(=O)[C@H]2COC(=O)N2)C2CC2)nc1=O	ZINC001420653251	926607002	/nfs/dbraw/zinc/60/70/02/926607002.db2.gz	GVOIAYJUMIOCLR-SECBINFHSA-N	-1	1	324.341	-1.703	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CCN3CCCC3=O)C2)nc1=O	ZINC001421112498	926645421	/nfs/dbraw/zinc/64/54/21/926645421.db2.gz	ORIFYQRESJQZJC-UHFFFAOYSA-N	-1	1	322.369	-1.579	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)N[C@@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001421219276	926658051	/nfs/dbraw/zinc/65/80/51/926658051.db2.gz	KAYMWXLHFLHGBI-XPTSAGLGSA-N	-1	1	324.385	-1.300	20	0		DAADMM
CCOCC(=O)NC[C@]1(O)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001421330802	926666813	/nfs/dbraw/zinc/66/68/13/926666813.db2.gz	ONLVQNDSQXXLFS-CYBMUJFWSA-N	-1	1	313.358	-1.802	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)c3cnccn3)C2)nc1=O	ZINC001421403865	926690960	/nfs/dbraw/zinc/69/09/60/926690960.db2.gz	REOFZAHAMWIKFL-UHFFFAOYSA-N	-1	1	319.325	-2.125	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)c3ccnnc3)C2)nc1=O	ZINC001421481570	926715758	/nfs/dbraw/zinc/71/57/58/926715758.db2.gz	MFKSIIHFJBNYLN-UHFFFAOYSA-N	-1	1	319.325	-2.125	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC1(O)CN(CCF)C1	ZINC001421496532	926720577	/nfs/dbraw/zinc/72/05/77/926720577.db2.gz	PHCHISYQGNAEJK-UHFFFAOYSA-N	-1	1	316.289	-1.358	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)Cc3ccc[nH]3)C2)nc1=O	ZINC001421506140	926721769	/nfs/dbraw/zinc/72/17/69/926721769.db2.gz	VPUJLXHEMQRMER-UHFFFAOYSA-N	-1	1	320.353	-1.658	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)[C@H](C)S(C)(=O)=O	ZINC001421910277	926769869	/nfs/dbraw/zinc/76/98/69/926769869.db2.gz	IOCJMUYFTDYEDI-SFYZADRCSA-N	-1	1	319.387	-1.120	20	0		DAADMM
COCC(=O)N[C@@H]1COC2(CN(Cc3nc(=O)n(C)[n-]3)C2)C1	ZINC001421917287	926772750	/nfs/dbraw/zinc/77/27/50/926772750.db2.gz	OMGOXZVXKXLJOX-VIFPVBQESA-N	-1	1	311.342	-1.786	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)C[C@@H]1CCNC1=O	ZINC001421911530	926772841	/nfs/dbraw/zinc/77/28/41/926772841.db2.gz	VXPXDEABEFHBHQ-BDAKNGLRSA-N	-1	1	310.358	-1.027	20	0		DAADMM
CNC(=O)NCC(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H](C)C1	ZINC001422056238	926783773	/nfs/dbraw/zinc/78/37/73/926783773.db2.gz	YQFDGHJCFAYRKH-YUMQZZPRSA-N	-1	1	311.346	-1.624	20	0		DAADMM
CC(=O)N1CC(C(=O)NC[C@@H](C)N(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001422502696	926880824	/nfs/dbraw/zinc/88/08/24/926880824.db2.gz	OPQARPSEZAPJJQ-SECBINFHSA-N	-1	1	324.385	-1.477	20	0		DAADMM
CN1CCC[C@H]1C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001422599265	926892497	/nfs/dbraw/zinc/89/24/97/926892497.db2.gz	DOODZCQRVVQLSO-JTQLQIEISA-N	-1	1	324.385	-1.343	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1ncn(C)n1	ZINC001422795506	926917502	/nfs/dbraw/zinc/91/75/02/926917502.db2.gz	UAKSRDXLJDNCDX-MRVPVSSYSA-N	-1	1	308.346	-1.513	20	0		DAADMM
Cc1nn[nH]c1C(=O)N[C@H](C)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001422867017	926923865	/nfs/dbraw/zinc/92/38/65/926923865.db2.gz	WHGRSPZLOOFJBL-SSDOTTSWSA-N	-1	1	308.346	-1.215	20	0		DAADMM
CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001422990753	926934002	/nfs/dbraw/zinc/93/40/02/926934002.db2.gz	BLYQHRTWBASDHJ-UTLUCORTSA-N	-1	1	322.369	-1.042	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)CCc2nnc[nH]2)nc1=O	ZINC001423085371	926945464	/nfs/dbraw/zinc/94/54/64/926945464.db2.gz	DNGSSZFGIIJLIN-SECBINFHSA-N	-1	1	320.357	-1.450	20	0		DAADMM
Cc1cn(C)nc1C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001423209579	926970324	/nfs/dbraw/zinc/97/03/24/926970324.db2.gz	KQOLHXLJIMTUNA-SECBINFHSA-N	-1	1	323.357	-1.969	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)[C@H]2CC2(F)F)nc1=O	ZINC001423209684	926971231	/nfs/dbraw/zinc/97/12/31/926971231.db2.gz	KTENHXMUJGPZBB-NKWVEPMBSA-N	-1	1	305.285	-1.670	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)c2cccnn2)nc1=O	ZINC001423282418	927011149	/nfs/dbraw/zinc/01/11/49/927011149.db2.gz	DKKMOVNHNZRFGW-MRVPVSSYSA-N	-1	1	307.314	-2.221	20	0		DAADMM
Cc1ccc(C(=O)N(C)C[C@H](O)CNCc2n[nH]c(=O)[n-]2)nn1	ZINC001423448419	927055233	/nfs/dbraw/zinc/05/52/33/927055233.db2.gz	WJRPNYWJHZPYPH-SECBINFHSA-N	-1	1	321.341	-1.169	20	0		DAADMM
CN(C(=O)CCNC(N)=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001423449342	927059834	/nfs/dbraw/zinc/05/98/34/927059834.db2.gz	WHSADPTZYCQZKE-UHFFFAOYSA-N	-1	1	311.346	-2.191	20	0		DAADMM
CCOCC(=O)N(C)C[C@@H](O)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001423507525	927084815	/nfs/dbraw/zinc/08/48/15/927084815.db2.gz	OOBSPSHHQNLQBJ-JTQLQIEISA-N	-1	1	315.374	-1.604	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](O)(CNC(=O)c3cnco3)C2)nc1=O	ZINC001423783006	927127695	/nfs/dbraw/zinc/12/76/95/927127695.db2.gz	YFPUNSFBJAABJR-ZDUSSCGKSA-N	-1	1	322.325	-1.537	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)c3ccco3)C2)nc1=O	ZINC001423799726	927130070	/nfs/dbraw/zinc/13/00/70/927130070.db2.gz	YBTBJQMPOUZHKM-UHFFFAOYSA-N	-1	1	307.310	-1.322	20	0		DAADMM
C[C@@H](CC[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)[S@@](C)=O	ZINC001423811283	927137491	/nfs/dbraw/zinc/13/74/91/927137491.db2.gz	HANCFBAIPJNTLR-ZDVLTJLQSA-N	-1	1	323.396	-1.079	20	0		DAADMM
Cc1[nH]ccc1C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001423824465	927142610	/nfs/dbraw/zinc/14/26/10/927142610.db2.gz	DDWVDEOJUJCWDT-UHFFFAOYSA-N	-1	1	320.353	-1.278	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCC2(CO)COC2)[n-]n1	ZINC001423842263	927153691	/nfs/dbraw/zinc/15/36/91/927153691.db2.gz	GOUKSWULPBGCRR-UHFFFAOYSA-N	-1	1	305.312	-1.517	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCC2(CO)COC2)n[n-]1	ZINC001423842263	927153703	/nfs/dbraw/zinc/15/37/03/927153703.db2.gz	GOUKSWULPBGCRR-UHFFFAOYSA-N	-1	1	305.312	-1.517	20	0		DAADMM
CCN(C)C(=O)C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001423972642	927176610	/nfs/dbraw/zinc/17/66/10/927176610.db2.gz	SNMZWKXLKSBHEO-UHFFFAOYSA-N	-1	1	304.328	-1.758	20	0		DAADMM
C[C@@H]1OCC[C@]1(O)C[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C	ZINC001423994910	927179960	/nfs/dbraw/zinc/17/99/60/927179960.db2.gz	BPAXMPRQKDNBQV-ZMFHDSSTSA-N	-1	1	315.417	-1.065	20	0		DAADMM
O=C(CN1CCCC1)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001424121431	927198984	/nfs/dbraw/zinc/19/89/84/927198984.db2.gz	GNKXBOYBSBBUAT-NSHDSACASA-N	-1	1	324.385	-1.077	20	0		DAADMM
CC(C)[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)C(N)=O	ZINC001424149805	927204238	/nfs/dbraw/zinc/20/42/38/927204238.db2.gz	KGHFJBVTEVQPIR-IWEMQMMOSA-N	-1	1	300.406	-1.095	20	0		DAADMM
CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCOC[C@H]1O	ZINC001424584936	927244667	/nfs/dbraw/zinc/24/46/67/927244667.db2.gz	QDTKEIQRUHATKE-ZEAWXOLYSA-N	-1	1	301.390	-1.455	20	0		DAADMM
Cn1[n-]c(CN2CC(CCO)(NC(=O)C(F)F)C2)nc1=O	ZINC001425073813	927277420	/nfs/dbraw/zinc/27/74/20/927277420.db2.gz	MLRFQUJMGPFNSP-UHFFFAOYSA-N	-1	1	305.285	-1.574	20	0		DAADMM
CC[C@@H](F)C(=O)NC1(CCO)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001425103170	927281571	/nfs/dbraw/zinc/28/15/71/927281571.db2.gz	KSPYLPYZGZUHIB-SECBINFHSA-N	-1	1	315.349	-1.091	20	0		DAADMM
CS(=O)(=O)CC(=O)N[C@H]1C[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001425391555	927346801	/nfs/dbraw/zinc/34/68/01/927346801.db2.gz	LILWLWUBULXSSE-ZKCHVHJHSA-N	-1	1	317.371	-1.461	20	0		DAADMM
COC(=O)CNC(=O)CNC(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001425615846	927398084	/nfs/dbraw/zinc/39/80/84/927398084.db2.gz	DMLWLCLXMSFPAO-UHFFFAOYSA-N	-1	1	320.309	-1.248	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)c2cccnc2)nc1=O	ZINC001425699743	927403386	/nfs/dbraw/zinc/40/33/86/927403386.db2.gz	ZOXAQWZHTCGKFC-JTQLQIEISA-N	-1	1	306.326	-1.616	20	0		DAADMM
CCc1nc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)co1	ZINC001425731799	927413818	/nfs/dbraw/zinc/41/38/18/927413818.db2.gz	JWPBZPLTIJPIFB-MRVPVSSYSA-N	-1	1	324.341	-1.461	20	0		DAADMM
Cc1n[nH]c(C(=O)NC[C@H](CO)N[C@@H]2CCN(C)C2=O)c1[O-]	ZINC001425747371	927421292	/nfs/dbraw/zinc/42/12/92/927421292.db2.gz	WLBZCXBTIVZHMY-RKDXNWHRSA-N	-1	1	311.342	-1.665	20	0		DAADMM
CCn1cnc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)c1	ZINC001425840801	927471947	/nfs/dbraw/zinc/47/19/47/927471947.db2.gz	VPODPKDOHVYTMT-SECBINFHSA-N	-1	1	323.357	-1.795	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)[C@]12C[C@H]1COC2	ZINC001426022582	927509099	/nfs/dbraw/zinc/50/90/99/927509099.db2.gz	ZUBDLXVYSWXOND-RWEMILLDSA-N	-1	1	311.342	-1.544	20	0		DAADMM
Cc1ncn(C)c1C(=O)N(C)C[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001426022855	927509765	/nfs/dbraw/zinc/50/97/65/927509765.db2.gz	VHTQQFQTUQGVBH-SECBINFHSA-N	-1	1	323.357	-1.225	20	0		DAADMM
COCC1(C(=O)N2CC[C@@H](NC(=O)c3cnn[nH]3)[C@H](O)C2)CC1	ZINC001427102148	927595408	/nfs/dbraw/zinc/59/54/08/927595408.db2.gz	OAZWZUXPNZLBMD-MWLCHTKSSA-N	-1	1	323.353	-1.077	20	0		DAADMM
O=C(CCc1nn[n-]n1)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC001433587988	928242985	/nfs/dbraw/zinc/24/29/85/928242985.db2.gz	DGJXFANDDVROFV-SNVBAGLBSA-N	-1	1	308.342	-1.018	20	0		DAADMM
CCNC(=O)CN1CCCN(C(=O)CCc2nn[n-]n2)CC1	ZINC001433596803	928243906	/nfs/dbraw/zinc/24/39/06/928243906.db2.gz	XYGFJPKPIJMVBE-UHFFFAOYSA-N	-1	1	309.374	-1.197	20	0		DAADMM
O=C(CN1CCN(C(=O)CCc2nn[n-]n2)CC1)NC1CC1	ZINC001433590755	928244021	/nfs/dbraw/zinc/24/40/21/928244021.db2.gz	PLAQUFRQOWAFSP-UHFFFAOYSA-N	-1	1	307.358	-1.445	20	0		DAADMM
NC(=O)c1ncccc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001433662695	928250048	/nfs/dbraw/zinc/25/00/48/928250048.db2.gz	HBAGOZMNBQAYMV-MRVPVSSYSA-N	-1	1	303.282	-1.093	20	0		DAADMM
O=C(CN1CCC(=O)NC1=O)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001433663446	928250756	/nfs/dbraw/zinc/25/07/56/928250756.db2.gz	JSIYJMRRBXTDAR-ZETCQYMHSA-N	-1	1	309.286	-1.959	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](CN2CCOCC2)C1	ZINC001433787666	928265552	/nfs/dbraw/zinc/26/55/52/928265552.db2.gz	BHCFDDNNVPQHTI-JTQLQIEISA-N	-1	1	311.342	-1.130	20	0		DAADMM
CS(=O)(=O)N1CC[C@H](CNC(=O)CCCc2nn[n-]n2)C1	ZINC001433813853	928266627	/nfs/dbraw/zinc/26/66/27/928266627.db2.gz	GZJGYUSNNQJUKP-SECBINFHSA-N	-1	1	316.387	-1.080	20	0		DAADMM
Cn1nc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)ccc1=O	ZINC001433938518	928282423	/nfs/dbraw/zinc/28/24/23/928282423.db2.gz	SNSFONOPCGZJLO-UHFFFAOYSA-N	-1	1	305.298	-1.583	20	0		DAADMM
C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001433936979	928282925	/nfs/dbraw/zinc/28/29/25/928282925.db2.gz	MEIGTZPQHFHHTL-QMMMGPOBSA-N	-1	1	317.371	-1.310	20	0		DAADMM
CN(C)S(=O)(=O)NCC(=O)N1CCC[C@H](c2nn[n-]n2)C1	ZINC001433930639	928283430	/nfs/dbraw/zinc/28/34/30/928283430.db2.gz	MFZMDGHROZLBNN-QMMMGPOBSA-N	-1	1	317.375	-1.698	20	0		DAADMM
CNS(=O)(=O)NCC(=O)NCc1cc(=O)[n-]c(SC)n1	ZINC001434121426	928308027	/nfs/dbraw/zinc/30/80/27/928308027.db2.gz	JKSKCPLLDFJZID-UHFFFAOYSA-N	-1	1	321.384	-1.426	20	0		DAADMM
O=C(NC[C@@]1(CO)COCC[NH2+]1)c1ccc(-c2nn[nH]n2)cn1	ZINC001434286814	928325490	/nfs/dbraw/zinc/32/54/90/928325490.db2.gz	GRKUIBNYDYXLPV-CYBMUJFWSA-N	-1	1	319.325	-1.658	20	0		DAADMM
COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@H]2c2nn[n-]n2)O1	ZINC001434276575	928326076	/nfs/dbraw/zinc/32/60/76/928326076.db2.gz	OHOGIQXVKZRQEY-HLTSFMKQSA-N	-1	1	311.298	-1.180	20	0		DAADMM
CN(C)C(=O)Cn1cc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)nn1	ZINC001434315303	928329322	/nfs/dbraw/zinc/32/93/22/928329322.db2.gz	ZNVJFYBXQQMTOX-MRVPVSSYSA-N	-1	1	319.329	-1.491	20	0		DAADMM
CC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001434322455	928332252	/nfs/dbraw/zinc/33/22/52/928332252.db2.gz	HWNYMOJGHWJCAA-ZDUSSCGKSA-N	-1	1	320.309	-1.869	20	0		DAADMM
COC[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1nn[n-]n1	ZINC001434365659	928339827	/nfs/dbraw/zinc/33/98/27/928339827.db2.gz	YXNFFMSRNMIRRO-JGVFFNPUSA-N	-1	1	303.344	-1.172	20	0		DAADMM
COC[C@H](NC(=O)C1(OC)CS(=O)(=O)C1)c1nn[n-]n1	ZINC001434362681	928340497	/nfs/dbraw/zinc/34/04/97/928340497.db2.gz	HBEKLYATWXXLBS-LURJTMIESA-N	-1	1	305.316	-2.183	20	0		DAADMM
O=C(CCc1nn[n-]n1)Nc1ccn(CCN2CC[NH+]=C2[O-])n1	ZINC001434374431	928342429	/nfs/dbraw/zinc/34/24/29/928342429.db2.gz	CEOCDUXVKJZXNW-UHFFFAOYSA-N	-1	1	319.329	-1.007	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)NCC[C@H](O)C(=O)OC)co1	ZINC001434422993	928353080	/nfs/dbraw/zinc/35/30/80/928353080.db2.gz	JDHBOQSEEMSGGB-QMMMGPOBSA-N	-1	1	320.323	-1.159	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H](CNS(N)(=O)=O)C2)nc1=O	ZINC001434459590	928354160	/nfs/dbraw/zinc/35/41/60/928354160.db2.gz	QXVIWIFQYGSELC-QMMMGPOBSA-N	-1	1	304.376	-1.887	20	0		DAADMM
Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(Cc1nc(=O)n(C)[n-]1)C2	ZINC001434493788	928359784	/nfs/dbraw/zinc/35/97/84/928359784.db2.gz	AXCKJEDWKXZJGN-VIFPVBQESA-N	-1	1	320.357	-1.519	20	0		DAADMM
CC(C)NC(=O)C[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C	ZINC001434544091	928363444	/nfs/dbraw/zinc/36/34/44/928363444.db2.gz	ZBOZXYIYXFXFRQ-KRWDZBQOSA-N	-1	1	300.406	-1.080	20	0		DAADMM
COC(=O)[C@@H](CO)[N-]S(=O)(=O)[C@H]1CC[C@@H](C(=O)OC)C1	ZINC001434568586	928365285	/nfs/dbraw/zinc/36/52/85/928365285.db2.gz	ZKXIKGDWJYQTRF-HRDYMLBCSA-N	-1	1	309.340	-1.219	20	0		DAADMM
CC[C@H](C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)OC	ZINC001434578496	928368002	/nfs/dbraw/zinc/36/80/02/928368002.db2.gz	OFTBWOKOOHTHJL-SSDOTTSWSA-N	-1	1	319.339	-1.037	20	0		DAADMM
CCN1C[C@@H](S(=O)(=O)[N-][C@]2(C(N)=O)CCOC2)CC1=O	ZINC001434581618	928369631	/nfs/dbraw/zinc/36/96/31/928369631.db2.gz	VDMGRIYWXZBGAA-GZMMTYOYSA-N	-1	1	305.356	-1.829	20	0		DAADMM
CCN1C[C@@H](S(=O)(=O)[N-][C@@]2(C(N)=O)CCOC2)CC1=O	ZINC001434581620	928370167	/nfs/dbraw/zinc/37/01/67/928370167.db2.gz	VDMGRIYWXZBGAA-KWQFWETISA-N	-1	1	305.356	-1.829	20	0		DAADMM
C[C@H]1C[C@H]1C(=O)NCCN1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001436697141	928402363	/nfs/dbraw/zinc/40/23/63/928402363.db2.gz	SBZHTDPSXOVWJU-NWDGAFQWSA-N	-1	1	322.413	-1.002	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)CCNC(N)=O)C2)nc1=O	ZINC001436746577	928411609	/nfs/dbraw/zinc/41/16/09/928411609.db2.gz	SNKGQHBCCDTUFT-MRVPVSSYSA-N	-1	1	311.346	-2.143	20	0		DAADMM
C[C@@H](CNC(=O)CN1CCNC(=O)C1)NCc1n[nH]c(=O)[n-]1	ZINC001437183617	928434806	/nfs/dbraw/zinc/43/48/06/928434806.db2.gz	FEDYVLMTRSIUEG-QMMMGPOBSA-N	-1	1	311.346	-2.464	20	0		DAADMM
CN(CCNC(=O)c1nccnc1N)Cc1nc(=O)n(C)[n-]1	ZINC001437450024	928451793	/nfs/dbraw/zinc/45/17/93/928451793.db2.gz	MATAZLCEWQIZAG-UHFFFAOYSA-N	-1	1	306.330	-1.658	20	0		DAADMM
CN(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)Cc1nc(=O)n(C)[n-]1	ZINC001437517463	928458726	/nfs/dbraw/zinc/45/87/26/928458726.db2.gz	OKZYYCCGJNKDTK-ZJUUUORDSA-N	-1	1	324.385	-1.442	20	0		DAADMM
CNS(=O)(=O)CC(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001437560452	928462162	/nfs/dbraw/zinc/46/21/62/928462162.db2.gz	CTCKVAZOPGNEMO-UHFFFAOYSA-N	-1	1	320.375	-2.794	20	0		DAADMM
CCN(CCNC(=O)c1[nH]nnc1C)Cc1nc(=O)n(C)[n-]1	ZINC001437619061	928465001	/nfs/dbraw/zinc/46/50/01/928465001.db2.gz	SIBIPALTAIKIFK-UHFFFAOYSA-N	-1	1	308.346	-1.213	20	0		DAADMM
O=C(Cn1ncnn1)NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001437920347	928484234	/nfs/dbraw/zinc/48/42/34/928484234.db2.gz	SCRUEVWGFFKMEF-VIFPVBQESA-N	-1	1	321.345	-1.475	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)CNC(=O)C1CC1	ZINC001438641778	928528426	/nfs/dbraw/zinc/52/84/26/928528426.db2.gz	QLDHNKLRKNWKPH-QMMMGPOBSA-N	-1	1	310.358	-1.027	20	0		DAADMM
CN(CCN(C)C(=O)c1cn[nH]c(=O)c1)Cc1nc(=O)n(C)[n-]1	ZINC001438888124	928539329	/nfs/dbraw/zinc/53/93/29/928539329.db2.gz	TYIXVMYAKRRDIX-UHFFFAOYSA-N	-1	1	321.341	-1.192	20	0		DAADMM
O=C(CCn1cccc1)NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001439038058	928588924	/nfs/dbraw/zinc/58/89/24/928588924.db2.gz	WXGMRLSNORKQRD-JTQLQIEISA-N	-1	1	308.342	-1.031	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1cn(C)nn1	ZINC001439322691	928612665	/nfs/dbraw/zinc/61/26/65/928612665.db2.gz	UYERDNHQQXYNAP-MRVPVSSYSA-N	-1	1	308.346	-1.513	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@H](C)NC(N)=O	ZINC001439314539	928613643	/nfs/dbraw/zinc/61/36/43/928613643.db2.gz	GMLFRNWEXNASIY-YUMQZZPRSA-N	-1	1	313.362	-1.898	20	0		DAADMM
O=C(CN1CCOCC1)N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001439455371	928621188	/nfs/dbraw/zinc/62/11/88/928621188.db2.gz	AJXFPZKANGJADR-LLVKDONJSA-N	-1	1	324.385	-1.173	20	0		DAADMM
CC(=O)N(C)CC(=O)N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001439449098	928621226	/nfs/dbraw/zinc/62/12/26/928621226.db2.gz	MKYRIARMDHNTRW-SNVBAGLBSA-N	-1	1	310.358	-1.027	20	0		DAADMM
CC(=O)N(C)CC(=O)N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001439449096	928621251	/nfs/dbraw/zinc/62/12/51/928621251.db2.gz	MKYRIARMDHNTRW-JTQLQIEISA-N	-1	1	310.358	-1.027	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)CCCC(N)=O)nc1=O	ZINC001439589175	928631663	/nfs/dbraw/zinc/63/16/63/928631663.db2.gz	YZBLAXCLVKUJFY-SECBINFHSA-N	-1	1	310.358	-1.546	20	0		DAADMM
CN(C(=O)CCc1c[nH]nn1)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001439745887	928640584	/nfs/dbraw/zinc/64/05/84/928640584.db2.gz	JSWIMSAJPMXLBF-UHFFFAOYSA-N	-1	1	306.330	-1.096	20	0		DAADMM
CN(C(=O)CCc1cnn[nH]1)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001439745887	928640592	/nfs/dbraw/zinc/64/05/92/928640592.db2.gz	JSWIMSAJPMXLBF-UHFFFAOYSA-N	-1	1	306.330	-1.096	20	0		DAADMM
O=C(CN1CCCC1)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001440097565	928694524	/nfs/dbraw/zinc/69/45/24/928694524.db2.gz	WKHSQXHZOILVLJ-UHFFFAOYSA-N	-1	1	310.358	-1.731	20	0		DAADMM
CC(=O)NCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@H](C)C1	ZINC001440641112	928737356	/nfs/dbraw/zinc/73/73/56/928737356.db2.gz	XXSKKUUYVJIZOO-KOLCDFICSA-N	-1	1	324.385	-1.286	20	0		DAADMM
CC(=O)NCC(=O)N1CCC[C@H]1CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001440731085	928741165	/nfs/dbraw/zinc/74/11/65/928741165.db2.gz	QFMFNBJZWLDXFD-NSHDSACASA-N	-1	1	324.385	-1.333	20	0		DAADMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H](C)NC(=O)c1ccc(=O)n(C)n1	ZINC001440856903	928749026	/nfs/dbraw/zinc/74/90/26/928749026.db2.gz	HTSNNCZPTWAJQC-HTQZYQBOSA-N	-1	1	321.341	-1.099	20	0		DAADMM
O=C(CN1CCCC1)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001441072536	928764903	/nfs/dbraw/zinc/76/49/03/928764903.db2.gz	QXAYRNJEDRGGTH-UHFFFAOYSA-N	-1	1	324.385	-1.341	20	0		DAADMM
CC(=O)NCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CC1(C)C	ZINC001441223098	928775640	/nfs/dbraw/zinc/77/56/40/928775640.db2.gz	GPSGUWCTZXDLRA-SNVBAGLBSA-N	-1	1	324.385	-1.429	20	0		DAADMM
CC(=O)NCC(=O)N(C)[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001441426727	928788986	/nfs/dbraw/zinc/78/89/86/928788986.db2.gz	POVCAVGSFSGFRS-JTQLQIEISA-N	-1	1	310.358	-1.027	20	0		DAADMM
C[C@H](CN(C)C(=O)CNC(=O)C1CC1)NCc1n[nH]c(=O)[n-]1	ZINC001441497845	928791930	/nfs/dbraw/zinc/79/19/30/928791930.db2.gz	LQGMLWMLKQUPSN-MRVPVSSYSA-N	-1	1	310.358	-1.027	20	0		DAADMM
C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)NCc1n[nH]c(=O)[n-]1	ZINC001441526573	928795467	/nfs/dbraw/zinc/79/54/67/928795467.db2.gz	ULCOGIDKRRDNSA-DTWKUNHWSA-N	-1	1	310.358	-1.075	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)CCc2ccoc2)nc1=O	ZINC001441672860	928809247	/nfs/dbraw/zinc/80/92/47/928809247.db2.gz	QOGXXCDTSPKKHW-LLVKDONJSA-N	-1	1	323.353	-1.099	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1cnsn1	ZINC001441960376	928889467	/nfs/dbraw/zinc/88/94/67/928889467.db2.gz	JGKAGQJTUINJNM-ZCFIWIBFSA-N	-1	1	313.343	-1.416	20	0		DAADMM
CCn1nccc1C(=O)N(C)C[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001441968142	928892633	/nfs/dbraw/zinc/89/26/33/928892633.db2.gz	GXRXQULEPLFJJJ-SECBINFHSA-N	-1	1	323.357	-1.051	20	0		DAADMM
COCC(=O)N(C)C[C@@H](O)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001442056847	928919086	/nfs/dbraw/zinc/91/90/86/928919086.db2.gz	IXLHEGAPUMBDTF-VIFPVBQESA-N	-1	1	301.347	-1.994	20	0		DAADMM
C[C@@H](CNC(=O)[C@H]1CCCS1(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001442057276	928921168	/nfs/dbraw/zinc/92/11/68/928921168.db2.gz	VDVLFTMXKQUSII-JGVFFNPUSA-N	-1	1	317.371	-1.318	20	0		DAADMM
CN(CCNC(=O)[C@H]1CCNC(=O)CC1)Cc1nc(=O)n(C)[n-]1	ZINC001442490919	928950930	/nfs/dbraw/zinc/95/09/30/928950930.db2.gz	TXTJIRPQHKNZMQ-SNVBAGLBSA-N	-1	1	324.385	-1.427	20	0		DAADMM
CCn1cc(C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)nn1	ZINC001442563288	928953916	/nfs/dbraw/zinc/95/39/16/928953916.db2.gz	UUAGIQLIKBCCJO-UHFFFAOYSA-N	-1	1	308.346	-1.418	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H](NC(=O)CCCC(N)=O)C2)nc1=O	ZINC001443420013	929003009	/nfs/dbraw/zinc/00/30/09/929003009.db2.gz	FZHVLQWZFLNZHY-SNVBAGLBSA-N	-1	1	324.385	-1.155	20	0		DAADMM
C[C@H](C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1)S(C)(=O)=O	ZINC001443486791	929008829	/nfs/dbraw/zinc/00/88/29/929008829.db2.gz	GMTRYCSTCFPGAY-SSDOTTSWSA-N	-1	1	317.371	-2.158	20	0		DAADMM
NC(=O)NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-]	ZINC001443674151	929021938	/nfs/dbraw/zinc/02/19/38/929021938.db2.gz	IXGQMHWQTQOARS-IUCAKERBSA-N	-1	1	319.321	-1.119	20	0		DAADMM
O=C(Cn1cccn1)N[C@@H](CO)CNC(=O)c1ncccc1[O-]	ZINC001444170184	929074646	/nfs/dbraw/zinc/07/46/46/929074646.db2.gz	YGHXGXFKXOSMON-SNVBAGLBSA-N	-1	1	319.321	-1.109	20	0		DAADMM
O=C(Nc1nnn[n-]1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	ZINC001444624633	929137266	/nfs/dbraw/zinc/13/72/66/929137266.db2.gz	PZCSJPKXQPYYAO-NKWVEPMBSA-N	-1	1	314.327	-1.826	20	0		DAADMM
O=C(Nc1nn[n-]n1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	ZINC001444624633	929137273	/nfs/dbraw/zinc/13/72/73/929137273.db2.gz	PZCSJPKXQPYYAO-NKWVEPMBSA-N	-1	1	314.327	-1.826	20	0		DAADMM
CN(CCN(C)C(=O)c1cn(C)nn1)Cc1nc(=O)n(C)[n-]1	ZINC001444980945	929158959	/nfs/dbraw/zinc/15/89/59/929158959.db2.gz	UHAMACVPWFUQDP-UHFFFAOYSA-N	-1	1	308.346	-1.559	20	0		DAADMM
CN(CCN(C)C(=O)c1nccnc1N)Cc1nc(=O)n(C)[n-]1	ZINC001444973160	929160834	/nfs/dbraw/zinc/16/08/34/929160834.db2.gz	SYGOEZJNWNBBMF-UHFFFAOYSA-N	-1	1	320.357	-1.315	20	0		DAADMM
CCN1C(=O)[C@@H]2CN(C(=O)CCc3nn[n-]n3)CCN2C1=O	ZINC001445401638	929220104	/nfs/dbraw/zinc/22/01/04/929220104.db2.gz	YGWOIWJFDZBISA-QMMMGPOBSA-N	-1	1	307.314	-1.373	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@H](C)S(C)(=O)=O	ZINC001445570934	929235900	/nfs/dbraw/zinc/23/59/00/929235900.db2.gz	ZQLDAYQIYTZZAA-BQBZGAKWSA-N	-1	1	305.360	-1.462	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1c[nH]c(=O)n1C	ZINC001445783557	929257780	/nfs/dbraw/zinc/25/77/80/929257780.db2.gz	HBAUUFCAEYRHDO-QMMMGPOBSA-N	-1	1	323.357	-1.202	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)Cn1ccnc1	ZINC001445869587	929262932	/nfs/dbraw/zinc/26/29/32/929262932.db2.gz	QANMQVOWLLGJOW-JTQLQIEISA-N	-1	1	307.358	-1.058	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)C[C@H]2CCNC2=O)nc1=O	ZINC001446056263	929269206	/nfs/dbraw/zinc/26/92/06/929269206.db2.gz	PNJYYNDOXYEILH-NXEZZACHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@]2(C)CCC(=O)N2)nc1=O	ZINC001446109531	929274265	/nfs/dbraw/zinc/27/42/65/929274265.db2.gz	WUXMKVZNYYQDNF-OTYXRUKQSA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)Cn2cncn2)nc1=O	ZINC001446129910	929276872	/nfs/dbraw/zinc/27/68/72/929276872.db2.gz	JTOPKXCRECAFPV-SECBINFHSA-N	-1	1	306.330	-1.909	20	0		DAADMM
O=C(CCCc1nn[n-]n1)N(CCO)CCN1CCOCC1	ZINC001446393251	929288858	/nfs/dbraw/zinc/28/88/58/929288858.db2.gz	SFKHYWUMDSFUEA-UHFFFAOYSA-N	-1	1	312.374	-1.325	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](O)(CNC(=O)c3ccn[nH]3)C2)nc1=O	ZINC001446738939	929306416	/nfs/dbraw/zinc/30/64/16/929306416.db2.gz	QZUBFMLFNDYPDR-CYBMUJFWSA-N	-1	1	321.341	-1.802	20	0		DAADMM
C[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001446760642	929314394	/nfs/dbraw/zinc/31/43/94/929314394.db2.gz	CDSRNOKHPHKXEO-RULNRJAQSA-N	-1	1	309.370	-1.183	20	0		DAADMM
Cc1nocc1C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001446861656	929342149	/nfs/dbraw/zinc/34/21/49/929342149.db2.gz	KYAHUXNZSBFBPJ-UHFFFAOYSA-N	-1	1	322.325	-1.618	20	0		DAADMM
C[C@H](CN(C)C(=O)C1(CS(C)(=O)=O)COC1)c1nn[n-]n1	ZINC001447359257	929386203	/nfs/dbraw/zinc/38/62/03/929386203.db2.gz	DCIIJSNSMUDPCW-MRVPVSSYSA-N	-1	1	317.371	-1.177	20	0		DAADMM
C[C@@H](CCNC(=O)CS(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001447625796	929403692	/nfs/dbraw/zinc/40/36/92/929403692.db2.gz	RRBDTHULXBDZLR-ZETCQYMHSA-N	-1	1	305.360	-1.461	20	0		DAADMM
O=C(CO)NCCC(=O)N1CCSC[C@@H]1c1nn[n-]n1	ZINC001448021568	929423628	/nfs/dbraw/zinc/42/36/28/929423628.db2.gz	QWKCHYITBKOOMW-SSDOTTSWSA-N	-1	1	300.344	-1.685	20	0		DAADMM
O=C(c1nc2n(n1)CCCN2)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC001448129781	929432187	/nfs/dbraw/zinc/43/21/87/929432187.db2.gz	FSAGQPXWSSIVKX-MRVPVSSYSA-N	-1	1	303.330	-1.116	20	0		DAADMM
C[C@@H]1C[C@H]1C(=O)NC1(CCO)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001448157957	929434579	/nfs/dbraw/zinc/43/45/79/929434579.db2.gz	PGCAZQLCUGKYMM-NXEZZACHSA-N	-1	1	309.370	-1.183	20	0		DAADMM
C[C@@H]1C[C@@H]1C(=O)NC1(CCO)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001448157979	929435357	/nfs/dbraw/zinc/43/53/57/929435357.db2.gz	PGCAZQLCUGKYMM-ZJUUUORDSA-N	-1	1	309.370	-1.183	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)CCn2cccn2)nc1=O	ZINC001448818702	929480472	/nfs/dbraw/zinc/48/04/72/929480472.db2.gz	PPUZCQXUCUAPJY-SNVBAGLBSA-N	-1	1	323.357	-2.038	20	0		DAADMM
Cn1ccc(=O)n(CCCNC(=O)CCc2nn[n-]n2)c1=O	ZINC001448873956	929501080	/nfs/dbraw/zinc/50/10/80/929501080.db2.gz	PBXCAWOQFXTOJK-UHFFFAOYSA-N	-1	1	307.314	-1.801	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)Cc2cnoc2)nc1=O	ZINC001448901663	929510770	/nfs/dbraw/zinc/51/07/70/929510770.db2.gz	VAYLFDJAGUGEDF-VIFPVBQESA-N	-1	1	310.314	-2.094	20	0		DAADMM
CC(=O)NCC(=O)N[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C	ZINC001449029174	929533136	/nfs/dbraw/zinc/53/31/36/929533136.db2.gz	OTBTZGWOBNAWCM-KOLCDFICSA-N	-1	1	324.385	-1.286	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1csnn1	ZINC001449127313	929545810	/nfs/dbraw/zinc/54/58/10/929545810.db2.gz	AFPWMABOVFTNCC-LURJTMIESA-N	-1	1	313.343	-1.416	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)Cn1ccnc1	ZINC001449179175	929560056	/nfs/dbraw/zinc/56/00/56/929560056.db2.gz	XDVQNZPLCYPWJY-SECBINFHSA-N	-1	1	309.330	-1.684	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@@H](O)CN(C)C(=O)c1ccon1	ZINC001449198656	929567325	/nfs/dbraw/zinc/56/73/25/929567325.db2.gz	LRDYTQSOYQBSIM-SECBINFHSA-N	-1	1	324.341	-1.339	20	0		DAADMM
COCCN(CCNC(=O)C(F)F)Cc1nc(=O)n(C)[n-]1	ZINC001449317165	929577413	/nfs/dbraw/zinc/57/74/13/929577413.db2.gz	VXTIJVZCNCDFOU-UHFFFAOYSA-N	-1	1	307.301	-1.062	20	0		DAADMM
CN(CCS(C)(=O)=O)c1nnc(-c2noc(=O)[n-]2)n1C	ZINC001518994158	929653559	/nfs/dbraw/zinc/65/35/59/929653559.db2.gz	AZZFULLORSGNST-UHFFFAOYSA-N	-1	1	302.316	-1.361	20	0		DAADMM
CCCOCC(=O)NCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001522543349	929678272	/nfs/dbraw/zinc/67/82/72/929678272.db2.gz	ZDYPNFIRCGJZDX-UHFFFAOYSA-N	-1	1	322.325	-1.310	20	0		DAADMM
COC[C@H](C)C(=O)NCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001522549563	929678523	/nfs/dbraw/zinc/67/85/23/929678523.db2.gz	ABYRUKPTWLVLDQ-QMMMGPOBSA-N	-1	1	322.325	-1.454	20	0		DAADMM
COCC(=O)N[C@H](C)C(=O)NCCNC(=O)c1ncccc1[O-]	ZINC001522597081	929683978	/nfs/dbraw/zinc/68/39/78/929683978.db2.gz	LADXVIVPWDXAOL-SECBINFHSA-N	-1	1	324.337	-1.216	20	0		DAADMM
CO[C@H](C)C(=O)NCCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001522851329	929708223	/nfs/dbraw/zinc/70/82/23/929708223.db2.gz	DPPLQPVPICJMMY-MRVPVSSYSA-N	-1	1	322.325	-1.311	20	0		DAADMM
COCC(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001524102918	929736953	/nfs/dbraw/zinc/73/69/53/929736953.db2.gz	PGZPJVASCXPREE-QMMMGPOBSA-N	-1	1	320.309	-1.605	20	0		DAADMM
CN(CCNC(=O)C(N)=O)C(=O)c1cnc(C2CC2)[n-]c1=O	ZINC001528595237	929813461	/nfs/dbraw/zinc/81/34/61/929813461.db2.gz	SQCFAYRWICDVLB-UHFFFAOYSA-N	-1	1	307.310	-1.267	20	0		DAADMM
CCn1[n-]nnc1=NC(=O)N1CC[C@H](N2CCN(C)CC2)C1	ZINC001552937706	930075209	/nfs/dbraw/zinc/07/52/09/930075209.db2.gz	CXKTXZCVSBXAPJ-NSHDSACASA-N	-1	1	308.390	-1.032	20	0		DAADMM
CN1CC(=O)N(CC(=O)N2CCC(O)(c3nn[n-]n3)CC2)C1=O	ZINC001556348463	930079506	/nfs/dbraw/zinc/07/95/06/930079506.db2.gz	MGEOCLNOZRONQA-UHFFFAOYSA-N	-1	1	323.313	-2.096	20	0		DAADMM
NC(=O)N1CCC[C@@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001556881528	930081911	/nfs/dbraw/zinc/08/19/11/930081911.db2.gz	SBKANNNIXCDKHN-JTQLQIEISA-N	-1	1	323.353	-1.166	20	0		DAADMM
NC(=O)N1CCC[C@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001556881529	930082595	/nfs/dbraw/zinc/08/25/95/930082595.db2.gz	SBKANNNIXCDKHN-SNVBAGLBSA-N	-1	1	323.353	-1.166	20	0		DAADMM
CN(C)C(=O)[C@@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001557013298	930083194	/nfs/dbraw/zinc/08/31/94/930083194.db2.gz	GGHLGXCECRLELW-SNVBAGLBSA-N	-1	1	308.338	-1.137	20	0		DAADMM
CN=[S@](C)(=O)CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001557675102	930084793	/nfs/dbraw/zinc/08/47/93/930084793.db2.gz	CRTDGOFCHIJDOW-HXUWFJFHSA-N	-1	1	302.356	-1.230	20	0		DAADMM
O=C(CN1C(=O)CNC1=O)N1CC(C[N-]C(=O)C(F)(F)F)C1	ZINC001558062929	930086188	/nfs/dbraw/zinc/08/61/88/930086188.db2.gz	ABECTLVAZNIBBH-UHFFFAOYSA-N	-1	1	322.243	-1.325	20	0		DAADMM
CC(=O)N1CC[C@@H](NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)C1	ZINC001573451426	945839196	/nfs/dbraw/zinc/83/91/96/945839196.db2.gz	VXPHCCBQEOEVOT-VXNVDRBHSA-N	-1	1	319.329	-1.244	20	0		DAADMM
CC(=O)N1CC[C@@H](NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)C1	ZINC001573451425	945840935	/nfs/dbraw/zinc/84/09/35/945840935.db2.gz	VXPHCCBQEOEVOT-IONNQARKSA-N	-1	1	319.329	-1.244	20	0		DAADMM
CC(=O)N[C@@H]1CCCN(C(=O)Cn2cc(-c3nn[n-]n3)nn2)C1	ZINC001573497236	946345891	/nfs/dbraw/zinc/34/58/91/946345891.db2.gz	OLNIOZUEEWSRCV-SECBINFHSA-N	-1	1	319.329	-1.415	20	0		DAADMM
CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O	ZINC001573497753	946353417	/nfs/dbraw/zinc/35/34/17/946353417.db2.gz	WJIRNSMOHNVYNN-WPRPVWTQSA-N	-1	1	304.314	-1.268	20	0		DAADMM
CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O	ZINC001573497753	946353429	/nfs/dbraw/zinc/35/34/29/946353429.db2.gz	WJIRNSMOHNVYNN-WPRPVWTQSA-N	-1	1	304.314	-1.268	20	0		DAADMM
CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O	ZINC001573497752	946354777	/nfs/dbraw/zinc/35/47/77/946354777.db2.gz	WJIRNSMOHNVYNN-WCBMZHEXSA-N	-1	1	304.314	-1.268	20	0		DAADMM
CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O	ZINC001573497752	946354780	/nfs/dbraw/zinc/35/47/80/946354780.db2.gz	WJIRNSMOHNVYNN-WCBMZHEXSA-N	-1	1	304.314	-1.268	20	0		DAADMM
CC(=O)NCC(=O)NC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1	ZINC001573516387	946562754	/nfs/dbraw/zinc/56/27/54/946562754.db2.gz	YNYDFBZFGYNUNZ-SSDOTTSWSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)NC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1	ZINC001573516387	946562762	/nfs/dbraw/zinc/56/27/62/946562762.db2.gz	YNYDFBZFGYNUNZ-SSDOTTSWSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001573521288	946606208	/nfs/dbraw/zinc/60/62/08/946606208.db2.gz	VLQRWFRZNUMKPX-UHFFFAOYSA-N	-1	1	322.285	-2.619	20	0		DAADMM
CC(=O)NCC(=O)N[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1	ZINC001573521857	946616316	/nfs/dbraw/zinc/61/63/16/946616316.db2.gz	LPNOFUYGFLYTOK-SSDOTTSWSA-N	-1	1	319.329	-1.869	20	0		DAADMM
C[C@@H](C(=O)N(C)Cc1cn(C)nn1)n1cnc(-c2nn[n-]n2)n1	ZINC001573603136	947478735	/nfs/dbraw/zinc/47/87/35/947478735.db2.gz	CQVQVSUMBQNYSK-ZETCQYMHSA-N	-1	1	317.317	-1.194	20	0		DAADMM
C[C@@H](C(=O)N(C)Cc1nncn1C)n1cnc(-c2nn[n-]n2)n1	ZINC001573603909	947500071	/nfs/dbraw/zinc/50/00/71/947500071.db2.gz	LNBAFKHNIHWCMP-ZETCQYMHSA-N	-1	1	317.317	-1.194	20	0		DAADMM
C[C@H](C(=O)N1CC(NC2COC2)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573613658	947567229	/nfs/dbraw/zinc/56/72/29/947567229.db2.gz	FZUXLBZWSWJXSV-SSDOTTSWSA-N	-1	1	319.329	-1.782	20	0		DAADMM
C[C@H](C(=O)N1CCO[C@@H](C(N)=O)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573640527	947851897	/nfs/dbraw/zinc/85/18/97/947851897.db2.gz	HZNVRQOHMFUUDO-RNFRBKRXSA-N	-1	1	321.301	-2.268	20	0		DAADMM
C[C@@H](C(=O)N1C[C@H](CO)[C@H](CO)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573647852	947904804	/nfs/dbraw/zinc/90/48/04/947904804.db2.gz	UOGCMYDOLBUNTA-XHNCKOQMSA-N	-1	1	322.329	-1.922	20	0		DAADMM
C[C@H](C(=O)N1[C@H](CO)CC[C@H]1CO)n1cnc(-c2nn[n-]n2)n1	ZINC001573650828	947913034	/nfs/dbraw/zinc/91/30/34/947913034.db2.gz	FUIDLFINLQBSMU-VGMNWLOBSA-N	-1	1	322.329	-1.637	20	0		DAADMM
CC(=O)N(C)CCOCCNc1ccnc(-c2nn[n-]n2)n1	ZINC001573408683	948069668	/nfs/dbraw/zinc/06/96/68/948069668.db2.gz	KZWVYOYTHUMUBC-UHFFFAOYSA-N	-1	1	306.330	-1.015	20	0		DAADMM
C[C@H](C(=O)NC[C@@]1(C)CCC(=O)N1)n1cnc(-c2nn[n-]n2)n1	ZINC001573691753	948245520	/nfs/dbraw/zinc/24/55/20/948245520.db2.gz	JQZVUFGYXBGKMH-JMCQJSRRSA-N	-1	1	319.329	-1.196	20	0		DAADMM
C[C@@H](C(=O)NCC1(CC(N)=O)CC1)n1cnc(-c2nn[n-]n2)n1	ZINC001573691850	948248266	/nfs/dbraw/zinc/24/82/66/948248266.db2.gz	KHQXORRNZZVYHO-ZETCQYMHSA-N	-1	1	319.329	-1.209	20	0		DAADMM
C[C@@H](C(=O)NC[C@H](O)c1c[nH]cn1)n1cnc(-c2nn[n-]n2)n1	ZINC001573692670	948272050	/nfs/dbraw/zinc/27/20/50/948272050.db2.gz	QGYSJVPEXGPITL-XPUUQOCRSA-N	-1	1	318.301	-1.408	20	0		DAADMM
CC(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573443447	948304704	/nfs/dbraw/zinc/30/47/04/948304704.db2.gz	NVLKFFYLGJDCGE-ZDUSSCGKSA-N	-1	1	318.341	-1.136	20	0		DAADMM
C[C@H](C(=O)NC[C@H]1CCCNC1=O)n1cnc(-c2nn[n-]n2)n1	ZINC001573702910	948350351	/nfs/dbraw/zinc/35/03/51/948350351.db2.gz	HHKSURRMYCMHAW-HTQZYQBOSA-N	-1	1	319.329	-1.338	20	0		DAADMM
C[C@@H](C(=O)NCCC[S@@](C)=O)n1cnc(-c2nn[n-]n2)n1	ZINC001573713756	948468181	/nfs/dbraw/zinc/46/81/81/948468181.db2.gz	BJNDUWQEBHSVSY-MWAODPMSSA-N	-1	1	312.359	-1.096	20	0		DAADMM
C[C@H](C(=O)NCCS(C)(=O)=O)n1cnc(-c2nn[n-]n2)n1	ZINC001573718857	948521670	/nfs/dbraw/zinc/52/16/70/948521670.db2.gz	UPQXUGLNBVNTAA-ZCFIWIBFSA-N	-1	1	314.331	-1.820	20	0		DAADMM
Cc1c(-c2nn[n-]n2)c(=O)n(Cc2cn[nH]n2)c(=O)n1C1CC1	ZINC001570918615	948576276	/nfs/dbraw/zinc/57/62/76/948576276.db2.gz	HKCCXUAOGMACTM-UHFFFAOYSA-N	-1	1	315.297	-1.000	20	0		DAADMM
Cc1nc(-c2nnn[n-]2)cc(N2CC(O)(c3ncnn3C)C2)n1	ZINC001570918692	948578581	/nfs/dbraw/zinc/57/85/81/948578581.db2.gz	JDPRXTMDONQEDV-UHFFFAOYSA-N	-1	1	314.313	-1.199	20	0		DAADMM
Cc1nc(-c2nn[n-]n2)cc(N2CC(O)(c3ncnn3C)C2)n1	ZINC001570918692	948578588	/nfs/dbraw/zinc/57/85/88/948578588.db2.gz	JDPRXTMDONQEDV-UHFFFAOYSA-N	-1	1	314.313	-1.199	20	0		DAADMM
O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NCc1ncc[nH]1	ZINC001570921115	948614350	/nfs/dbraw/zinc/61/43/50/948614350.db2.gz	OLRZFCZGQXAOHW-UHFFFAOYSA-N	-1	1	317.269	-1.832	20	0		DAADMM
Cn1cc(C(C)(C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)nn1	ZINC001570921146	948615194	/nfs/dbraw/zinc/61/51/94/948615194.db2.gz	PELYRJCFLRWZDJ-UHFFFAOYSA-N	-1	1	317.317	-1.362	20	0		DAADMM
NC(=O)c1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)o1	ZINC001570921243	948617425	/nfs/dbraw/zinc/61/74/25/948617425.db2.gz	SBBHXUPCMXBRKF-UHFFFAOYSA-N	-1	1	317.269	-1.534	20	0		DAADMM
NC(=O)C1(O)CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)CC1	ZINC001570921294	948618625	/nfs/dbraw/zinc/61/86/25/948618625.db2.gz	UCEYFICDBKMONC-UHFFFAOYSA-N	-1	1	317.309	-1.286	20	0		DAADMM
NC(=O)C1(O)CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)CC1	ZINC001570921294	948618628	/nfs/dbraw/zinc/61/86/28/948618628.db2.gz	UCEYFICDBKMONC-UHFFFAOYSA-N	-1	1	317.309	-1.286	20	0		DAADMM
C[C@@H](C(=O)N[C@@H](CO)c1ncc[nH]1)n1cnc(-c2nn[n-]n2)n1	ZINC001570921436	948620228	/nfs/dbraw/zinc/62/02/28/948620228.db2.gz	AJEIPKCMLCSYTE-BQBZGAKWSA-N	-1	1	318.301	-1.408	20	0		DAADMM
COC(=O)C1(O)CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1	ZINC001570921633	948625175	/nfs/dbraw/zinc/62/51/75/948625175.db2.gz	JAHGVSKSCGDKFK-UHFFFAOYSA-N	-1	1	318.293	-1.450	20	0		DAADMM
COC(=O)C1(O)CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1	ZINC001570921633	948625178	/nfs/dbraw/zinc/62/51/78/948625178.db2.gz	JAHGVSKSCGDKFK-UHFFFAOYSA-N	-1	1	318.293	-1.450	20	0		DAADMM
CC(=O)N1CCC(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1	ZINC001570921818	948628522	/nfs/dbraw/zinc/62/85/22/948628522.db2.gz	PLOIQNQXNXTMPD-UHFFFAOYSA-N	-1	1	319.329	-1.415	20	0		DAADMM
Cn1c(=O)[nH]c(N2CC[C@H](O)C(C)(C)C2)c(-c2nn[n-]n2)c1=O	ZINC001570921967	948631710	/nfs/dbraw/zinc/63/17/10/948631710.db2.gz	DEZZYYAKFGHWQY-ZETCQYMHSA-N	-1	1	321.341	-1.149	20	0		DAADMM
C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1nncn1C	ZINC001570921983	948631822	/nfs/dbraw/zinc/63/18/22/948631822.db2.gz	RQWOGTFSHWUGGX-YFKPBYRVSA-N	-1	1	318.301	-1.032	20	0		DAADMM
Cn1c(=O)[nH]c(N2CCC3(C2)OCCO3)c(-c2nn[n-]n2)c1=O	ZINC001570922158	948634784	/nfs/dbraw/zinc/63/47/84/948634784.db2.gz	FSGUMNNIZXZMLE-UHFFFAOYSA-N	-1	1	321.297	-1.793	20	0		DAADMM
CC(=O)NC1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1	ZINC001570922103	948635238	/nfs/dbraw/zinc/63/52/38/948635238.db2.gz	VGZYSSDCPSLMFA-UHFFFAOYSA-N	-1	1	319.329	-1.415	20	0		DAADMM
Cn1c(=O)[nH]c(N2CCC[C@H](C(N)=O)C2)c(-c2nn[n-]n2)c1=O	ZINC001570922442	948641600	/nfs/dbraw/zinc/64/16/00/948641600.db2.gz	IXOWQZIODWMRQX-LURJTMIESA-N	-1	1	320.313	-2.045	20	0		DAADMM
O=c1c(-c2nn[n-]n2)cn(CCO)c(=O)n1Cc1nccs1	ZINC001570923037	948653776	/nfs/dbraw/zinc/65/37/76/948653776.db2.gz	RZMRWGPFUSQIEZ-UHFFFAOYSA-N	-1	1	321.322	-1.313	20	0		DAADMM
Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1C[C@H](O)[C@H](CO)C1	ZINC001570923097	948655323	/nfs/dbraw/zinc/65/53/23/948655323.db2.gz	ULLYRCVSESMJRA-CBAPKCEASA-N	-1	1	320.309	-1.299	20	0		DAADMM
CC[C@@H]1[C@@H](CO)CCN1c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1	ZINC001570923370	948659818	/nfs/dbraw/zinc/65/98/18/948659818.db2.gz	YNXPLFILJHHZOT-HTQZYQBOSA-N	-1	1	321.341	-1.149	20	0		DAADMM
CO[C@H]1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1	ZINC001570923374	948659981	/nfs/dbraw/zinc/65/99/81/948659981.db2.gz	YQHKRVRBGUSRNN-ZETCQYMHSA-N	-1	1	321.297	-1.624	20	0		DAADMM
O=C(NCCn1cnc(-c2nn[n-]n2)n1)NCCC1(CO)CC1	ZINC001570923361	948660054	/nfs/dbraw/zinc/66/00/54/948660054.db2.gz	YKGMLRYJSSNWCW-UHFFFAOYSA-N	-1	1	321.345	-1.080	20	0		DAADMM
CC[C@H]1[C@@H](CO)CCN1c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1	ZINC001570923372	948660294	/nfs/dbraw/zinc/66/02/94/948660294.db2.gz	YNXPLFILJHHZOT-SFYZADRCSA-N	-1	1	321.341	-1.149	20	0		DAADMM
O=C(NCCn1cnc(-c2nn[n-]n2)n1)C1(CO)CCOCC1	ZINC001570929937	948789115	/nfs/dbraw/zinc/78/91/15/948789115.db2.gz	CHQIAGMWLJNPIM-UHFFFAOYSA-N	-1	1	322.329	-1.637	20	0		DAADMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)N1C[C@@H](CO)[C@H](CCO)C1	ZINC001570929971	948793796	/nfs/dbraw/zinc/79/37/96/948793796.db2.gz	DIOPDDFGFKCDAA-BDAKNGLRSA-N	-1	1	322.329	-2.093	20	0		DAADMM
C[C@@H](C(=O)Nc1cnn(C)c(=O)c1)n1cnc(-c2nn[n-]n2)n1	ZINC001573756062	948796824	/nfs/dbraw/zinc/79/68/24/948796824.db2.gz	WNHHYIIQOWVIEC-LURJTMIESA-N	-1	1	316.285	-1.248	20	0		DAADMM
Cn1c(=O)[nH]c(NCCN2CC[C@@H](O)C2)c(-c2nnn[n-]2)c1=O	ZINC001570931009	948832822	/nfs/dbraw/zinc/83/28/22/948832822.db2.gz	JKXSQAFWZCFTGM-SSDOTTSWSA-N	-1	1	322.329	-1.856	20	0		DAADMM
COC[C@@H](C)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001570931765	948854984	/nfs/dbraw/zinc/85/49/84/948854984.db2.gz	NHOGMPQNFDXNJC-SSDOTTSWSA-N	-1	1	323.313	-1.330	20	0		DAADMM
CCOC(=O)CN(CC)c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1	ZINC001570932377	948861135	/nfs/dbraw/zinc/86/11/35/948861135.db2.gz	SMXUEFDLERWJGW-UHFFFAOYSA-N	-1	1	323.313	-1.357	20	0		DAADMM
CC(C)(C(N)=O)C(=O)NCCNc1ccc(-c2nnn[n-]2)nn1	ZINC001573788806	949214809	/nfs/dbraw/zinc/21/48/09/949214809.db2.gz	YLZDFWPCHROCCO-UHFFFAOYSA-N	-1	1	319.329	-1.304	20	0		DAADMM
CC(C)(C(N)=O)C(=O)NCCNc1ccc(-c2nn[n-]n2)nn1	ZINC001573788806	949214830	/nfs/dbraw/zinc/21/48/30/949214830.db2.gz	YLZDFWPCHROCCO-UHFFFAOYSA-N	-1	1	319.329	-1.304	20	0		DAADMM
C[C@]1(O)CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1	ZINC001575856735	949255941	/nfs/dbraw/zinc/25/59/41/949255941.db2.gz	JPBLWCRAAWEWES-LBPRGKRZSA-N	-1	1	321.297	-1.888	20	0		DAADMM
CC1(C(=O)Cn2c(=O)c(-c3nn[n-]n3)cn(CCO)c2=O)CC1	ZINC001575524384	949310886	/nfs/dbraw/zinc/31/08/86/949310886.db2.gz	HJOGZPOUEVOKHQ-UHFFFAOYSA-N	-1	1	320.309	-1.448	20	0		DAADMM
CC1=NO[C@@H](CNC(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1	ZINC001575863360	949351085	/nfs/dbraw/zinc/35/10/85/949351085.db2.gz	BVRWBKDPQQHMDH-MRVPVSSYSA-N	-1	1	320.317	-1.078	20	0		DAADMM
C[C@H]1[C@@H](CO)CCCN1c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1	ZINC001575870889	949500334	/nfs/dbraw/zinc/50/03/34/949500334.db2.gz	WWZKCIZJHDSMEI-JGVFFNPUSA-N	-1	1	321.341	-1.149	20	0		DAADMM
C[C@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@H]1O	ZINC001576213781	950645305	/nfs/dbraw/zinc/64/53/05/950645305.db2.gz	IEHZFELCQOMOPZ-JGVFFNPUSA-N	-1	1	321.341	-1.529	20	0		DAADMM
CC1(C)CC(=O)NCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC001575623332	950647707	/nfs/dbraw/zinc/64/77/07/950647707.db2.gz	JSXBLWUNJSEGAJ-UHFFFAOYSA-N	-1	1	319.329	-1.415	20	0		DAADMM
O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ncc[nH]1	ZINC000380688683	971713522	/nfs/dbraw/zinc/71/35/22/971713522.db2.gz	LLRDRRCCSFZNNF-SSDOTTSWSA-N	-1	1	323.352	-1.328	20	0		DAADMM
O=C([O-])Cn1cc(C(=O)NC[C@H]2CN3CCN2CCC3)nn1	ZINC000394753041	951457236	/nfs/dbraw/zinc/45/72/36/951457236.db2.gz	OUZVHYQXCOQGGE-JTQLQIEISA-N	-1	1	308.342	-1.518	20	0		DAADMM
O=C([O-])CN1CC[C@H](N2CCN(Cc3nnc[nH]3)CC2)C1=O	ZINC001595074159	951625535	/nfs/dbraw/zinc/62/55/35/951625535.db2.gz	MYABBFSTFDPNLR-JTQLQIEISA-N	-1	1	308.342	-1.392	20	0		DAADMM
O=C([O-])CN1CCC[C@H](C(=O)N2CC[C@H](c3nn[nH]n3)C2)C1=O	ZINC001595086638	951736603	/nfs/dbraw/zinc/73/66/03/951736603.db2.gz	MCGPDYJHLMXOEF-IUCAKERBSA-N	-1	1	322.325	-1.161	20	0		DAADMM
O=C([O-])Cn1cc(C(=O)N[C@@H]2CCCN(CCCO)C2)nn1	ZINC001595143133	952096816	/nfs/dbraw/zinc/09/68/16/952096816.db2.gz	UMLUMVXUMCLMNN-SNVBAGLBSA-N	-1	1	311.342	-1.061	20	0		DAADMM
C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C(N)=O	ZINC001575132970	952101089	/nfs/dbraw/zinc/10/10/89/952101089.db2.gz	IYIOTGFVAHLVLJ-LURJTMIESA-N	-1	1	305.302	-1.599	20	0		DAADMM
C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C(N)=O	ZINC001575132970	952101092	/nfs/dbraw/zinc/10/10/92/952101092.db2.gz	IYIOTGFVAHLVLJ-LURJTMIESA-N	-1	1	305.302	-1.599	20	0		DAADMM
CC(C)(NCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC001602953698	971930946	/nfs/dbraw/zinc/93/09/46/971930946.db2.gz	LAFKRJDGDRDDDQ-ZETCQYMHSA-N	-1	1	321.355	-1.548	20	0		DAADMM
CN(C)CCN(CC(=O)[O-])S(=O)(=O)C[C@@H]1CN(C)CCO1	ZINC001593698712	954088960	/nfs/dbraw/zinc/08/89/60/954088960.db2.gz	CWGUGPQCLWNTNS-NSHDSACASA-N	-1	1	323.415	-1.405	20	0		DAADMM
CN(CC(=O)N1CCN(C(=O)C(=O)[O-])CC1)[C@@H]1CCC[C@H]1O	ZINC001593716272	954221144	/nfs/dbraw/zinc/22/11/44/954221144.db2.gz	CNNMFWCYYKODFZ-GHMZBOCLSA-N	-1	1	313.354	-1.413	20	0		DAADMM
C[C@H]1CN2CCN1C[C@@H]2C(=O)NCCOCCOCC(=O)[O-]	ZINC001589406741	954466709	/nfs/dbraw/zinc/46/67/09/954466709.db2.gz	KMJPMQMGHGUVEL-NWDGAFQWSA-N	-1	1	315.370	-1.391	20	0		DAADMM
CN(Cc1nnc[nH]1)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001593764763	954505954	/nfs/dbraw/zinc/50/59/54/954505954.db2.gz	ARSQDVMCYVFCRC-UHFFFAOYSA-N	-1	1	307.270	-1.317	20	0		DAADMM
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1C[C@@H](O)CO	ZINC001594897330	954580011	/nfs/dbraw/zinc/58/00/11/954580011.db2.gz	ZDRAVSLXKNZWRN-BWZBUEFSSA-N	-1	1	314.260	-1.064	20	0		DAADMM
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1C[C@@H](O)CO	ZINC001594897331	954580285	/nfs/dbraw/zinc/58/02/85/954580285.db2.gz	ZDRAVSLXKNZWRN-CSMHCCOUSA-N	-1	1	314.260	-1.064	20	0		DAADMM
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1C[C@@H](O)CO	ZINC001594897332	954580472	/nfs/dbraw/zinc/58/04/72/954580472.db2.gz	ZDRAVSLXKNZWRN-GJMOJQLCSA-N	-1	1	314.260	-1.064	20	0		DAADMM
CN(CCC(=O)[O-])C(=O)C(=O)NC[C@H]1CN(C)CCN1C	ZINC001593780674	954652431	/nfs/dbraw/zinc/65/24/31/954652431.db2.gz	CVRQORJCUQWUHN-JTQLQIEISA-N	-1	1	300.359	-1.719	20	0		DAADMM
CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	ZINC001593781439	954671282	/nfs/dbraw/zinc/67/12/82/954671282.db2.gz	YQYUJLIIFPXDAL-DCAQKATOSA-N	-1	1	312.370	-1.672	20	0		DAADMM
CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	ZINC001593781442	954671674	/nfs/dbraw/zinc/67/16/74/954671674.db2.gz	YQYUJLIIFPXDAL-GMTAPVOTSA-N	-1	1	312.370	-1.672	20	0		DAADMM
O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)CCO1	ZINC001594940759	954885823	/nfs/dbraw/zinc/88/58/23/954885823.db2.gz	NYPHWKYJIPVJKD-RYUDHWBXSA-N	-1	1	323.349	-1.229	20	0		DAADMM
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001593863448	955564313	/nfs/dbraw/zinc/56/43/13/955564313.db2.gz	IFIDSPMYINWTGQ-IUCAKERBSA-N	-1	1	310.266	-1.161	20	0		DAADMM
Cn1nc(C(=O)[O-])cc1CNC[C@@]1(O)CCS(=O)(=O)C1	ZINC001594571916	955894499	/nfs/dbraw/zinc/89/44/99/955894499.db2.gz	FWTSIEKWFASQQO-NSHDSACASA-N	-1	1	303.340	-1.243	20	0		DAADMM
CO[C@H](C(=O)[O-])C(=O)N1CCN([C@@H]2CCNC(=O)CC2)CC1	ZINC001593904826	955897718	/nfs/dbraw/zinc/89/77/18/955897718.db2.gz	ARUZCELRIIRAOI-JQWIXIFHSA-N	-1	1	313.354	-1.101	20	0		DAADMM
CO[C@@H](C(=O)[O-])C(=O)N[C@H]1CCN(CCN2CCOCC2)C1	ZINC001593906918	955929786	/nfs/dbraw/zinc/92/97/86/955929786.db2.gz	LORIKKTYQWXVAI-NWDGAFQWSA-N	-1	1	315.370	-1.391	20	0		DAADMM
NC(=O)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001594636017	956373238	/nfs/dbraw/zinc/37/32/38/956373238.db2.gz	AFZYCOCSMIPHPB-CRCLSJGQSA-N	-1	1	311.216	-1.406	20	0		DAADMM
COC[C@]1(C(=O)[O-])CN(C(=O)[C@]2(C)C[C@@H](O)CN2C)CCO1	ZINC001593969916	956597333	/nfs/dbraw/zinc/59/73/33/956597333.db2.gz	ICDNOMPAMOXFEM-SWHYSGLUSA-N	-1	1	316.354	-1.230	20	0		DAADMM
COC[C@]1(C(=O)[O-])CN(C(=O)[C@@]2(C)C[C@@H](O)CN2C)CCO1	ZINC001593969915	956597737	/nfs/dbraw/zinc/59/77/37/956597737.db2.gz	ICDNOMPAMOXFEM-HONMWMINSA-N	-1	1	316.354	-1.230	20	0		DAADMM
COC[C@@]1(C(=O)[O-])CN(CCCC(=O)NC(N)=O)CCO1	ZINC001593986331	956787030	/nfs/dbraw/zinc/78/70/30/956787030.db2.gz	UBMOHBICQHNNGH-GFCCVEGCSA-N	-1	1	303.315	-1.237	20	0		DAADMM
COCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1	ZINC001594014405	957016004	/nfs/dbraw/zinc/01/60/04/957016004.db2.gz	DJYMGKPDEOOUSQ-GHMZBOCLSA-N	-1	1	313.354	-1.244	20	0		DAADMM
O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)CCO1	ZINC001594734553	957056198	/nfs/dbraw/zinc/05/61/98/957056198.db2.gz	CDVBYXYUDJMUKG-KOLCDFICSA-N	-1	1	311.338	-1.349	20	0		DAADMM
CN(Cc1nnc[nH]1)S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000080522046	957765426	/nfs/dbraw/zinc/76/54/26/957765426.db2.gz	KPUVXQYALQNQSB-UHFFFAOYSA-N	-1	1	300.300	-1.094	20	0		DAADMM
O=C([O-])C1CCN(S(=O)(=O)NCCc2nc[nH]n2)CC1	ZINC000080582748	957765679	/nfs/dbraw/zinc/76/56/79/957765679.db2.gz	LDGOEQSBAZTNJE-UHFFFAOYSA-N	-1	1	303.344	-1.022	20	0		DAADMM
Cc1nc(CN2CCN([C@@H]3CCN(CC(=O)[O-])C3=O)CC2)n[nH]1	ZINC001594453470	959399850	/nfs/dbraw/zinc/39/98/50/959399850.db2.gz	BRBSHOHSWUOJHK-LLVKDONJSA-N	-1	1	322.369	-1.084	20	0		DAADMM
CN(CCC(=O)[O-])S(=O)(=O)N1CCCN(CCO)CC1	ZINC000227248777	959937745	/nfs/dbraw/zinc/93/77/45/959937745.db2.gz	CBEGRHSBSVQHCR-UHFFFAOYSA-N	-1	1	309.388	-1.362	20	0		DAADMM
Cn1cc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c(=O)[nH]c1=O	ZINC001571095623	961154501	/nfs/dbraw/zinc/15/45/01/961154501.db2.gz	AXGXLVGUEDINDL-MRVPVSSYSA-N	-1	1	307.266	-1.365	20	0		DAADMM
Cc1nnc(SCC(=O)N2CCN(C(=O)C(=O)[O-])CC2)[nH]1	ZINC001574416199	961318148	/nfs/dbraw/zinc/31/81/48/961318148.db2.gz	VHTKNGBOGHYVND-UHFFFAOYSA-N	-1	1	313.339	-1.039	20	0		DAADMM
C[C@@H]1C[C@H](C(=O)N2CCO[C@H](c3nn[nH]n3)C2)O[C@H]1C(=O)[O-]	ZINC001571110940	961323519	/nfs/dbraw/zinc/32/35/19/961323519.db2.gz	AKLLBCUBGNBYNW-LURQLKTLSA-N	-1	1	311.298	-1.022	20	0		DAADMM
O=C([O-])CCNC(=O)CCNC(=O)CN1CCC(CO)CC1	ZINC001571126491	961507809	/nfs/dbraw/zinc/50/78/09/961507809.db2.gz	SPCSZGUDXPJDHO-UHFFFAOYSA-N	-1	1	315.370	-1.212	20	0		DAADMM
CCS(=O)(=O)NCCN(CCNC(C)=O)[C@H](C)C(=O)[O-]	ZINC001573928844	961561147	/nfs/dbraw/zinc/56/11/47/961561147.db2.gz	NJZBPPNRZAZAQC-SECBINFHSA-N	-1	1	309.388	-1.163	20	0		DAADMM
CCNC(=O)NCCNS(=O)(=O)c1cc(C(=O)[O-])no1	ZINC000315499305	963908815	/nfs/dbraw/zinc/90/88/15/963908815.db2.gz	XXDAIMJZICIOPX-UHFFFAOYSA-N	-1	1	306.300	-1.030	20	0		DAADMM
O=C([O-])CN1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1	ZINC000319542320	970546472	/nfs/dbraw/zinc/54/64/72/970546472.db2.gz	IIPBLQXXHFJPGY-UHFFFAOYSA-N	-1	1	319.321	-1.275	20	0		DAADMM
CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001604240271	972756383	/nfs/dbraw/zinc/75/63/83/972756383.db2.gz	YVCKTDYUZNDIPY-IONNQARKSA-N	-1	1	309.282	-1.588	20	0		DAADMM
O=C([O-])C1(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)CCOCC1	ZINC001605916130	972790245	/nfs/dbraw/zinc/79/02/45/972790245.db2.gz	JMQKWNFEKZWPMP-QMMMGPOBSA-N	-1	1	311.298	-1.019	20	0		DAADMM
COC(=O)C[C@@]1(N[C@@H]2CCN(CC(=O)[O-])C2=O)CCOC1	ZINC001604299071	972935590	/nfs/dbraw/zinc/93/55/90/972935590.db2.gz	PJWHCXXBRIBYBB-RNCFNFMXSA-N	-1	1	300.311	-1.016	20	0		DAADMM
CO[C@@H](C(=O)[O-])C(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21	ZINC001604432886	973223527	/nfs/dbraw/zinc/22/35/27/973223527.db2.gz	WHEJDWSKFLOPSU-OPQQBVKSSA-N	-1	1	302.327	-1.572	20	0		DAADMM
C[C@H]1CN2CCN1C[C@H]2C(=O)N1CCN(C(=O)C(=O)[O-])CC1	ZINC001603470568	973337860	/nfs/dbraw/zinc/33/78/60/973337860.db2.gz	JTRFZHGBMDJPDZ-QWRGUYRKSA-N	-1	1	310.354	-1.870	20	0		DAADMM
CN1CCN(C)[C@H](CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1	ZINC000401791043	973393449	/nfs/dbraw/zinc/39/34/49/973393449.db2.gz	NMPDVXCZBUIQEH-UTUOFQBUSA-N	-1	1	314.386	-1.291	20	0		DAADMM
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC001606237223	973511083	/nfs/dbraw/zinc/51/10/83/973511083.db2.gz	ANRRAESSRUKVOG-MNOVXSKESA-N	-1	1	312.370	-1.719	20	0		DAADMM
CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1	ZINC001606237223	973511090	/nfs/dbraw/zinc/51/10/90/973511090.db2.gz	ANRRAESSRUKVOG-MNOVXSKESA-N	-1	1	312.370	-1.719	20	0		DAADMM
O=C([O-])CS(=O)(=O)CCN[C@H]1C(=O)NCC12CCOCC2	ZINC001606297452	973705828	/nfs/dbraw/zinc/70/58/28/973705828.db2.gz	RYPGEXFHOIWMLI-JTQLQIEISA-N	-1	1	320.367	-1.629	20	0		DAADMM
COCCS(=O)(=O)CC(=O)NC1CCN(CC(=O)[O-])CC1	ZINC001604625943	973746276	/nfs/dbraw/zinc/74/62/76/973746276.db2.gz	HYBLECQMRHPZRZ-UHFFFAOYSA-N	-1	1	322.383	-1.287	20	0		DAADMM
NC(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001605635086	973990914	/nfs/dbraw/zinc/99/09/14/973990914.db2.gz	JZLCFWWKLRUTRB-VHSXEESVSA-N	-1	1	312.326	-1.328	20	0		DAADMM
O=C([O-])c1cnc(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)cn1	ZINC001606536535	974057943	/nfs/dbraw/zinc/05/79/43/974057943.db2.gz	QFMYZOFOUXNJOG-QMMMGPOBSA-N	-1	1	305.254	-1.098	20	0		DAADMM
CN(C)CC(=O)N1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1	ZINC001604057437	974587684	/nfs/dbraw/zinc/58/76/84/974587684.db2.gz	AWCQOOOYIZNLNW-JTQLQIEISA-N	-1	1	312.326	-1.552	20	0		DAADMM
CN(C)CC(=O)N1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1	ZINC001604057438	974587799	/nfs/dbraw/zinc/58/77/99/974587799.db2.gz	AWCQOOOYIZNLNW-SNVBAGLBSA-N	-1	1	312.326	-1.552	20	0		DAADMM
C[C@@H](CC(=O)[O-])N1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1	ZINC001592410813	978006731	/nfs/dbraw/zinc/00/67/31/978006731.db2.gz	SEKBWVZBKOYOFN-IUCAKERBSA-N	-1	1	312.326	-1.408	20	0		DAADMM
C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2OCCN(C)C2=O)CC1	ZINC001592410805	978007080	/nfs/dbraw/zinc/00/70/80/978007080.db2.gz	SDUWZXWAHCHFSQ-JQWIXIFHSA-N	-1	1	313.354	-1.149	20	0		DAADMM
C[C@@H](NC(=O)CN1CCN(CC(=O)[O-])CC1)C(=O)N(C)C	ZINC001593027394	980291942	/nfs/dbraw/zinc/29/19/42/980291942.db2.gz	BDICWSUHQROXBJ-SNVBAGLBSA-N	-1	1	300.359	-1.719	20	0		DAADMM
C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)[C@H]1CN(C)CCN1C	ZINC001593049446	980335687	/nfs/dbraw/zinc/33/56/87/980335687.db2.gz	AGAMAZYQGBMBPH-MWLCHTKSSA-N	-1	1	310.358	-1.273	20	0		DAADMM
CCN(C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)[C@H]1CCN(C)C1	ZINC001596127210	983467691	/nfs/dbraw/zinc/46/76/91/983467691.db2.gz	BYNAWGLNPDWUKI-QWRGUYRKSA-N	-1	1	313.354	-1.149	20	0		DAADMM
CCN(C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)[C@@H]1CCN(C)C1	ZINC001596127207	983467703	/nfs/dbraw/zinc/46/77/03/983467703.db2.gz	BYNAWGLNPDWUKI-MNOVXSKESA-N	-1	1	313.354	-1.149	20	0		DAADMM
CCN1CCN(C2CN(C(=O)Cn3cc(C(=O)[O-])nn3)C2)CC1	ZINC001596430434	984095583	/nfs/dbraw/zinc/09/55/83/984095583.db2.gz	JKFBVYPHCOLIKH-UHFFFAOYSA-N	-1	1	322.369	-1.175	20	0		DAADMM
C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1OCCN(C)C1=O	ZINC001594515760	985887604	/nfs/dbraw/zinc/88/76/04/985887604.db2.gz	QUCYYLQARUVGIY-JQWIXIFHSA-N	-1	1	313.354	-1.149	20	0		DAADMM
C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)Cn1ccc(=O)[nH]c1=O	ZINC001594516955	985921492	/nfs/dbraw/zinc/92/14/92/985921492.db2.gz	XCNYQNSTYNELLQ-JTQLQIEISA-N	-1	1	324.337	-1.044	20	0		DAADMM
C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C)C[C@H](C(=O)[O-])C1	ZINC001589337269	986228842	/nfs/dbraw/zinc/22/88/42/986228842.db2.gz	QDCUCEPXFPVVRG-ZJUUUORDSA-N	-1	1	321.399	-1.259	20	0		DAADMM
C[C@@H]1CN2CCN1C[C@H]2C(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001594584993	986472434	/nfs/dbraw/zinc/47/24/34/986472434.db2.gz	QNXQHVZYCBQUPK-VWYCJHECSA-N	-1	1	313.354	-1.293	20	0		DAADMM
C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-]	ZINC001594585222	986475147	/nfs/dbraw/zinc/47/51/47/986475147.db2.gz	WAKZOMJCKHTFGK-OUAUKWLOSA-N	-1	1	310.354	-1.872	20	0		DAADMM
CCS(=O)(=O)NCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC001597225498	987175079	/nfs/dbraw/zinc/17/50/79/987175079.db2.gz	REKQDOJLPWSXOP-MRVPVSSYSA-N	-1	1	304.328	-1.539	20	0		DAADMM
CCc1cc(CNC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)[nH]n1	ZINC001597471128	987928044	/nfs/dbraw/zinc/92/80/44/987928044.db2.gz	QRBBFGUJBRUPIZ-KWQFWETISA-N	-1	1	324.337	-1.118	20	0		DAADMM
CC(C)(C)NC(=O)CNC(=O)CN[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001589823689	988282159	/nfs/dbraw/zinc/28/21/59/988282159.db2.gz	NXPQKSVKCRYUCA-GZMMTYOYSA-N	-1	1	301.343	-1.151	20	0		DAADMM
C[C@@H](O)[C@H](NS(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	ZINC001599845024	988917327	/nfs/dbraw/zinc/91/73/27/988917327.db2.gz	HEXIDCSQEVILJE-RQJHMYQMSA-N	-1	1	300.358	-1.083	20	0		DAADMM
CN(C)S(=O)(=O)[C@@H]1CCCN(CCC(=O)NCC(=O)[O-])C1	ZINC001598259306	991080212	/nfs/dbraw/zinc/08/02/12/991080212.db2.gz	FXZPLVRIKYVOOI-SNVBAGLBSA-N	-1	1	321.399	-1.067	20	0		DAADMM
CN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])CCN1C(=O)CNC1=O	ZINC001598488712	992250063	/nfs/dbraw/zinc/25/00/63/992250063.db2.gz	FHMGCWCGRAQTSD-IUCAKERBSA-N	-1	1	312.326	-1.693	20	0		DAADMM
CN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])CCN1C(=O)CNC1=O	ZINC001598488698	992250171	/nfs/dbraw/zinc/25/01/71/992250171.db2.gz	FHMGCWCGRAQTSD-BDAKNGLRSA-N	-1	1	312.326	-1.693	20	0		DAADMM
CN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])CCN1C(=O)CNC1=O	ZINC001598488714	992250339	/nfs/dbraw/zinc/25/03/39/992250339.db2.gz	FHMGCWCGRAQTSD-RKDXNWHRSA-N	-1	1	312.326	-1.693	20	0		DAADMM
CN(CCO)C(=O)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	ZINC001598495542	992353797	/nfs/dbraw/zinc/35/37/97/992353797.db2.gz	JAUSQGMMHMZIFT-UHFFFAOYSA-N	-1	1	301.343	-1.556	20	0		DAADMM
CN1C[C@@H](C(=O)[O-])N(C(=O)C2CN([C@H]3CCOC3)C2)CC1=O	ZINC001598563145	993110110	/nfs/dbraw/zinc/11/01/10/993110110.db2.gz	OPVGPPZLRGJNPK-QWRGUYRKSA-N	-1	1	311.338	-1.539	20	0		DAADMM
CN1C[C@H](O)C[C@]1(C)C(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001598569382	993178382	/nfs/dbraw/zinc/17/83/82/993178382.db2.gz	JFAJMGRIVVGKTM-NOZJJQNGSA-N	-1	1	301.343	-1.461	20	0		DAADMM
CN1C[C@@H](O)C[C@]1(C)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC001598569457	993179784	/nfs/dbraw/zinc/17/97/84/993179784.db2.gz	KNGHGXQVDRRFSN-TVQRCGJNSA-N	-1	1	309.326	-1.185	20	0		DAADMM
Cn1cc(NC(=O)C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)cn1	ZINC001598604817	993628928	/nfs/dbraw/zinc/62/89/28/993628928.db2.gz	WYURNYZXNYPGLG-SECBINFHSA-N	-1	1	309.326	-1.167	20	0		DAADMM
CN1CCN(C(C)(C)CNC(=O)N2CC(O)(C(=O)[O-])C2)CC1	ZINC001598611376	993781368	/nfs/dbraw/zinc/78/13/68/993781368.db2.gz	KRRWNDCCMKPYEB-UHFFFAOYSA-N	-1	1	314.386	-1.147	20	0		DAADMM
CN1CCN(C)[C@H](CNC(=O)C(=O)NC[C@H](F)C(=O)[O-])C1	ZINC001598612208	993798530	/nfs/dbraw/zinc/79/85/30/993798530.db2.gz	PWSCCGLRWDPQDJ-BDAKNGLRSA-N	-1	1	304.322	-2.113	20	0		DAADMM
CN1CCN(CCN(CC(=O)[O-])C(=O)c2nccnc2N)CC1	ZINC001598617126	993906981	/nfs/dbraw/zinc/90/69/81/993906981.db2.gz	OPFHHMQQFKVOQE-UHFFFAOYSA-N	-1	1	322.369	-1.167	20	0		DAADMM
CN1CCN(CCN(CC(=O)[O-])C(=O)C(=O)NC2CC2)CC1	ZINC001598617823	993925908	/nfs/dbraw/zinc/92/59/08/993925908.db2.gz	HZPPLZQBANRYOD-UHFFFAOYSA-N	-1	1	312.370	-1.574	20	0		DAADMM
CNC(=O)NC(=O)CNC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001598652008	994459385	/nfs/dbraw/zinc/45/93/85/994459385.db2.gz	MMQNHOUNKXBFMM-HTQZYQBOSA-N	-1	1	312.326	-1.599	20	0		DAADMM
CNC(=O)NC(=O)CNC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001598652037	994460398	/nfs/dbraw/zinc/46/03/98/994460398.db2.gz	MMQNHOUNKXBFMM-YUMQZZPRSA-N	-1	1	312.326	-1.599	20	0		DAADMM
CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cn1ccc(C(=O)[O-])n1	ZINC001598655393	994512387	/nfs/dbraw/zinc/51/23/87/994512387.db2.gz	FSYUHUJEEAIHBE-JTQLQIEISA-N	-1	1	320.309	-1.222	20	0		DAADMM
COC(=O)[C@H](CC(=O)[O-])NC(=O)C1CN([C@@H]2CCOC2)C1	ZINC001598695493	995130309	/nfs/dbraw/zinc/13/03/09/995130309.db2.gz	VCTISSIZXHQAPF-ZJUUUORDSA-N	-1	1	300.311	-1.160	20	0		DAADMM
C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(CC(=O)[O-])CC1	ZINC001593426534	995230712	/nfs/dbraw/zinc/23/07/12/995230712.db2.gz	SDYUAUONDHTLKW-BXKDBHETSA-N	-1	1	313.354	-1.509	20	0		DAADMM
COC(=O)[C@@H]1C[C@@H](O)CN(CCc2cn(CC(=O)[O-])nn2)C1	ZINC001598753268	995682111	/nfs/dbraw/zinc/68/21/11/995682111.db2.gz	APZCLQIUQIGAGK-MWLCHTKSSA-N	-1	1	312.326	-1.239	20	0		DAADMM
COC(=O)C1CCN(C(=O)CN2CC[C@@](O)(C(=O)[O-])C2)CC1	ZINC001598795351	996106232	/nfs/dbraw/zinc/10/62/32/996106232.db2.gz	WZYLJDFQBASPJD-AWEZNQCLSA-N	-1	1	314.338	-1.081	20	0		DAADMM
COC(=O)CC[C@@H](NC(=O)[C@@H]1CN2CCN1C[C@@H]2C)C(=O)[O-]	ZINC001598856606	996642701	/nfs/dbraw/zinc/64/27/01/996642701.db2.gz	XRYWWHXYDXCNRT-AXFHLTTASA-N	-1	1	313.354	-1.103	20	0		DAADMM
COC(=O)CN(CC(=O)[O-])C(=O)C1CN([C@H]2CCOC2)C1	ZINC001598860599	996671177	/nfs/dbraw/zinc/67/11/77/996671177.db2.gz	OCQHXXGOZOHFNW-JTQLQIEISA-N	-1	1	300.311	-1.207	20	0		DAADMM
COC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)no1)C(=O)[O-]	ZINC001599176721	996859923	/nfs/dbraw/zinc/85/99/23/996859923.db2.gz	BTSUFTAGMUGGQX-ZCFIWIBFSA-N	-1	1	308.268	-1.161	20	0		DAADMM
COC[C@]1(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CNCCO1	ZINC001599184961	997010171	/nfs/dbraw/zinc/01/01/71/997010171.db2.gz	UVEXMJGIICJRGZ-NRUUGDAUSA-N	-1	1	302.327	-1.308	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)[N-]CC[N@@H+](C)CC(=O)[O-])on1	ZINC001598955112	998224298	/nfs/dbraw/zinc/22/42/98/998224298.db2.gz	ZUZCSCPEZDONOW-UHFFFAOYSA-N	-1	1	321.311	-1.244	20	0		DAADMM
COCCS(=O)(=O)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC001599262518	998410469	/nfs/dbraw/zinc/41/04/69/998410469.db2.gz	XJRZMQZCAFKBSX-SECBINFHSA-N	-1	1	319.339	-1.417	20	0		DAADMM
CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)Cc2nnc[nH]2)C1	ZINC001599067517	999308229	/nfs/dbraw/zinc/30/82/29/999308229.db2.gz	DYVOJZKOSXPXAR-GFCCVEGCSA-N	-1	1	311.298	-1.535	20	0		DAADMM
C[C@H]1CN(C(=O)C(=O)NCCC(=O)NCCC(=O)[O-])CCN1	ZINC001594459130	999668031	/nfs/dbraw/zinc/66/80/31/999668031.db2.gz	UCUCRVWCTLMVPY-VIFPVBQESA-N	-1	1	314.342	-2.096	20	0		DAADMM
C[C@H]1CN(C(=O)CCNS(C)(=O)=O)CCN1CCC(=O)[O-]	ZINC001594465522	999684020	/nfs/dbraw/zinc/68/40/20/999684020.db2.gz	RXPLBQYLWPKPGE-JTQLQIEISA-N	-1	1	321.399	-1.067	20	0		DAADMM
CC(C)[C@@H](C(=O)NN1CC(=O)[N-]C1=O)N1CCCS1(=O)=O	ZINC000272814545	535138980	/nfs/dbraw/zinc/13/89/80/535138980.db2.gz	BFGAFAQMAFAULP-VIFPVBQESA-N	-1	1	318.355	-1.371	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CCC3CC3)C2)nc1=O	ZINC001191906284	781930138	/nfs/dbraw/zinc/93/01/38/781930138.db2.gz	DLMPXVBMTMQYFE-GHMZBOCLSA-N	-1	1	309.370	-1.040	20	0		DAADMM
C[C@@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000343990395	545708468	/nfs/dbraw/zinc/70/84/68/545708468.db2.gz	PVNZVWWRFCLGMC-QPUJVOFHSA-N	-1	1	317.367	-1.070	20	0		DAADMM
NC(=O)NC(=O)CCNC(=O)CNC(=O)c1ncccc1[O-]	ZINC000343829735	545709103	/nfs/dbraw/zinc/70/91/03/545709103.db2.gz	IXPHWUNSLFHWPN-UHFFFAOYSA-N	-1	1	309.282	-1.782	20	0		DAADMM
COC(=O)[C@H]([N-]S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)[C@@H](C)O	ZINC000344538819	545712935	/nfs/dbraw/zinc/71/29/35/545712935.db2.gz	NZAMXZOTHNUHNZ-AXTSPUMRSA-N	-1	1	310.372	-1.148	20	0		DAADMM
CCS(=O)(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H](C)C1	ZINC000347275932	545714727	/nfs/dbraw/zinc/71/47/27/545714727.db2.gz	NUQFERMTGRSEMQ-VIFPVBQESA-N	-1	1	303.388	-1.036	20	0		DAADMM
CNC(=O)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001192429191	781959026	/nfs/dbraw/zinc/95/90/26/781959026.db2.gz	FVHNABVDQNYKJU-HTQZYQBOSA-N	-1	1	312.330	-3.094	20	0		DAADMM
COC[C@H](O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000071270082	372794610	/nfs/dbraw/zinc/79/46/10/372794610.db2.gz	DWLAORMHHWSSRK-SSDOTTSWSA-N	-1	1	307.328	-2.630	20	0		DAADMM
CN(C)S(=O)(=O)N1CC(Nc2nc3[nH][n-]cc-3c(=O)n2)C1	ZINC000624709305	372771195	/nfs/dbraw/zinc/77/11/95/372771195.db2.gz	XOOVNLHLQINSGT-UHFFFAOYSA-N	-1	1	313.343	-1.666	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2COCCC2=O)c(=O)n(C)c1=O	ZINC000625490943	372824278	/nfs/dbraw/zinc/82/42/78/372824278.db2.gz	MUMFODGTWMJKTH-SSDOTTSWSA-N	-1	1	317.323	-2.280	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2O)c(=O)n(C)c1=O	ZINC000089166315	372817349	/nfs/dbraw/zinc/81/73/49/372817349.db2.gz	DYOKHZDRXYVQNR-DTWKUNHWSA-N	-1	1	317.367	-1.477	20	0		DAADMM
COC(=O)[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000042305978	372852710	/nfs/dbraw/zinc/85/27/10/372852710.db2.gz	QDONZISSYUNMBK-LURJTMIESA-N	-1	1	305.312	-2.076	20	0		DAADMM
COC(=O)c1coc(S(=O)(=O)[N-][C@]2(C(N)=O)CCOC2)c1	ZINC000565222960	372892497	/nfs/dbraw/zinc/89/24/97/372892497.db2.gz	VTYLGDPXHMOGIM-LLVKDONJSA-N	-1	1	318.307	-1.011	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](O)C2)c(=O)n(C)c1=O	ZINC000236087619	372903704	/nfs/dbraw/zinc/90/37/04/372903704.db2.gz	YQHXBVIUTSRMIB-RKDXNWHRSA-N	-1	1	317.367	-1.477	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2O)c(=O)n(C)c1=O	ZINC000052005495	372906349	/nfs/dbraw/zinc/90/63/49/372906349.db2.gz	REEWRZWNGGTLSS-RKDXNWHRSA-N	-1	1	317.367	-1.334	20	0		DAADMM
CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C2)C1	ZINC000364645262	372950363	/nfs/dbraw/zinc/95/03/63/372950363.db2.gz	JPQSNPONYDBBGG-QJPTWQEYSA-N	-1	1	315.370	-1.705	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2COC[C@H]2O)c(=O)n(C)c1=O	ZINC000323374685	372990548	/nfs/dbraw/zinc/99/05/48/372990548.db2.gz	NYIHOXVOGOLEBM-RNFRBKRXSA-N	-1	1	305.312	-2.878	20	0		DAADMM
O=C(CNS(=O)(=O)c1cccs1)NCc1nn[n-]n1	ZINC000599377367	373040767	/nfs/dbraw/zinc/04/07/67/373040767.db2.gz	PXFCVKHAWGBXLD-UHFFFAOYSA-N	-1	1	302.341	-1.144	20	0		DAADMM
Cc1n[nH]cc1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000038012327	373086624	/nfs/dbraw/zinc/08/66/24/373086624.db2.gz	SWGISORSMJPIMO-UHFFFAOYSA-N	-1	1	313.339	-1.406	20	0		DAADMM
Cc1cc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[nH]n1	ZINC000606459310	373088120	/nfs/dbraw/zinc/08/81/20/373088120.db2.gz	PKMCMWRNSODEKP-UHFFFAOYSA-N	-1	1	313.339	-1.406	20	0		DAADMM
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CNC(=O)c1ncccc1O	ZINC000337914961	373110352	/nfs/dbraw/zinc/11/03/52/373110352.db2.gz	STNOMLGGYUBACQ-NSHDSACASA-N	-1	1	321.381	-1.121	20	0		DAADMM
COC(=O)c1coc(S(=O)(=O)[N-]CCOCC(N)=O)c1	ZINC000270013581	373171995	/nfs/dbraw/zinc/17/19/95/373171995.db2.gz	MQVIZXMYVSFJIH-UHFFFAOYSA-N	-1	1	306.296	-1.154	20	0		DAADMM
COCC[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000263652046	373158084	/nfs/dbraw/zinc/15/80/84/373158084.db2.gz	DPBBSVUMPSFFMK-MRVPVSSYSA-N	-1	1	305.356	-1.213	20	0		DAADMM
CC(C)[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(N)=O	ZINC000264562119	373160742	/nfs/dbraw/zinc/16/07/42/373160742.db2.gz	VBYXZZPFRZAMAU-QMMMGPOBSA-N	-1	1	318.355	-2.128	20	0		DAADMM
CCCNC(=O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000031075065	373167696	/nfs/dbraw/zinc/16/76/96/373167696.db2.gz	XGRIUEVQVVXHCC-UHFFFAOYSA-N	-1	1	318.355	-2.112	20	0		DAADMM
COC(=O)[C@H](C)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000268764965	373168922	/nfs/dbraw/zinc/16/89/22/373168922.db2.gz	GRAJYFHHPDMOOL-SSDOTTSWSA-N	-1	1	319.339	-1.829	20	0		DAADMM
COC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1CC1	ZINC000269630448	373170505	/nfs/dbraw/zinc/17/05/05/373170505.db2.gz	FIZKNLWRYNKZBD-VIFPVBQESA-N	-1	1	317.367	-1.213	20	0		DAADMM
Cn1cc(S(N)(=O)=O)cc1C(=O)NC(C)(C)c1nn[n-]n1	ZINC000339898635	373142637	/nfs/dbraw/zinc/14/26/37/373142637.db2.gz	BIYGADBAXYQFSL-UHFFFAOYSA-N	-1	1	313.343	-1.149	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H]1CC(C(N)=O)=NO1	ZINC000289761635	373214922	/nfs/dbraw/zinc/21/49/22/373214922.db2.gz	GZMURVCUQGGCCY-YFKPBYRVSA-N	-1	1	303.300	-1.526	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]CCCN1CCNC(=O)C1	ZINC000290841501	373218366	/nfs/dbraw/zinc/21/83/66/373218366.db2.gz	VOCFLHFAZWIMDG-UHFFFAOYSA-N	-1	1	317.371	-1.335	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]CC(=O)N1CCOCC1	ZINC000290725873	373219774	/nfs/dbraw/zinc/21/97/74/373219774.db2.gz	KTWTZGQZDSGHBO-UHFFFAOYSA-N	-1	1	304.328	-1.298	20	0		DAADMM
COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)C(=O)OC)o1	ZINC000271727543	373179730	/nfs/dbraw/zinc/17/97/30/373179730.db2.gz	MIRIPGPKUOHYGS-ZCFIWIBFSA-N	-1	1	307.280	-1.122	20	0		DAADMM
C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000277604571	373185244	/nfs/dbraw/zinc/18/52/44/373185244.db2.gz	AIPXSFQMSOLWSO-RKDXNWHRSA-N	-1	1	317.367	-1.213	20	0		DAADMM
O=C(CN1CCOCC1=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1	ZINC000294108772	373226968	/nfs/dbraw/zinc/22/69/68/373226968.db2.gz	FQZRSZFPKSTFLY-SECBINFHSA-N	-1	1	309.326	-1.337	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2CCOC2(C)C)c(=O)n(C)c1=O	ZINC000295344761	373233083	/nfs/dbraw/zinc/23/30/83/373233083.db2.gz	QYGWQAKNYWGVEJ-VIFPVBQESA-N	-1	1	317.367	-1.070	20	0		DAADMM
COC[C@@H](C)S(=O)(=O)[N-][C@@H](CN1CCOCC1)C(=O)OC	ZINC000583544195	373265575	/nfs/dbraw/zinc/26/55/75/373265575.db2.gz	UZQOLSHGPXDUGR-MNOVXSKESA-N	-1	1	324.399	-1.186	20	0		DAADMM
CCC[C@H](NC(=O)CNS(=O)(=O)N(C)C)c1nn[n-]n1	ZINC000612057180	373351870	/nfs/dbraw/zinc/35/18/70/373351870.db2.gz	PIUAQGONSNLVPY-ZETCQYMHSA-N	-1	1	305.364	-1.447	20	0		DAADMM
COC(=O)[C@H]([N-]S(=O)(=O)CCCN1CCOCC1)[C@H](C)O	ZINC000548700060	373354173	/nfs/dbraw/zinc/35/41/73/373354173.db2.gz	ASIZQAWXOBDTMM-WDEREUQCSA-N	-1	1	324.399	-1.450	20	0		DAADMM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)O1	ZINC000632648496	373403498	/nfs/dbraw/zinc/40/34/98/373403498.db2.gz	QQQOPJYSVMZZSK-HLTSFMKQSA-N	-1	1	317.367	-1.072	20	0		DAADMM
C[C@H](CN(C)C(=O)[C@@H]1CCN=C2C1=NNN2C)c1nn[n-]n1	ZINC000613474627	373456686	/nfs/dbraw/zinc/45/66/86/373456686.db2.gz	IFYXBECUGIMOJW-HTQZYQBOSA-N	-1	1	305.346	-1.014	20	0		DAADMM
Cn1cc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cn1	ZINC000053699968	373456777	/nfs/dbraw/zinc/45/67/77/373456777.db2.gz	ZOBITQKHIGULLG-UHFFFAOYSA-N	-1	1	313.339	-1.704	20	0		DAADMM
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NCc1nn[n-]n1	ZINC000613537521	373460063	/nfs/dbraw/zinc/46/00/63/373460063.db2.gz	HESAROZWBHUFAW-SECBINFHSA-N	-1	1	302.360	-1.078	20	0		DAADMM
CN(C)C(=O)CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000056087872	373466901	/nfs/dbraw/zinc/46/69/01/373466901.db2.gz	KBDJZTWXBFRLTF-UHFFFAOYSA-N	-1	1	318.355	-2.159	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC[C@@H]2CCOC2)c(=O)n(C)c1=O	ZINC000541323730	373498280	/nfs/dbraw/zinc/49/82/80/373498280.db2.gz	GJQXHIBAROEYNZ-SECBINFHSA-N	-1	1	317.367	-1.211	20	0		DAADMM
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@H](CO)C(=O)OC	ZINC000252371558	373508734	/nfs/dbraw/zinc/50/87/34/373508734.db2.gz	BJAVQXDQIVPDTH-BDAKNGLRSA-N	-1	1	324.355	-1.618	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@H](O)C(C)(C)C)c(=O)n(C)c1=O	ZINC000269814409	373535685	/nfs/dbraw/zinc/53/56/85/373535685.db2.gz	VCJJHXPJZZMURP-SECBINFHSA-N	-1	1	319.383	-1.231	20	0		DAADMM
COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)[N-][C@@]1(C(N)=O)CCOC1	ZINC000580903784	373596747	/nfs/dbraw/zinc/59/67/47/373596747.db2.gz	XRTDZMJDAWOASH-PTRXPTGYSA-N	-1	1	320.367	-1.108	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2O)c(=O)n(C)c1=O	ZINC000269861433	373537624	/nfs/dbraw/zinc/53/76/24/373537624.db2.gz	YXQQNRVXHDCSMC-HTQZYQBOSA-N	-1	1	303.340	-1.724	20	0		DAADMM
C[C@H](CN(C)C(=O)CN1CCCS1(=O)=O)c1nn[n-]n1	ZINC000574004960	373560245	/nfs/dbraw/zinc/56/02/45/373560245.db2.gz	TYXAWMFNFVIYFD-MRVPVSSYSA-N	-1	1	302.360	-1.203	20	0		DAADMM
COC(=O)[C@H](CN1CCOCC1)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000574630844	373561734	/nfs/dbraw/zinc/56/17/34/373561734.db2.gz	OJGRZOKDPWXSHW-QWRGUYRKSA-N	-1	1	322.383	-1.432	20	0		DAADMM
C[C@@H](CCCO)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000384654657	373604022	/nfs/dbraw/zinc/60/40/22/373604022.db2.gz	ZESSHQZZQISQQY-VIFPVBQESA-N	-1	1	319.383	-1.229	20	0		DAADMM
O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)N1CCOCC1	ZINC000021818705	182293652	/nfs/dbraw/zinc/29/36/52/182293652.db2.gz	YCJNBTQCKLJEFL-SECBINFHSA-N	-1	1	304.328	-1.428	20	0		DAADMM
COC(=O)CCN(C)S(=O)(=O)[N-][C@@H](C(=O)OC)[C@@H](C)O	ZINC000444185005	545781720	/nfs/dbraw/zinc/78/17/20/545781720.db2.gz	BHOMISXEROZAKK-VXNVDRBHSA-N	-1	1	312.344	-1.762	20	0		DAADMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC(=O)N(C)C	ZINC000037489330	182899154	/nfs/dbraw/zinc/89/91/54/182899154.db2.gz	ZWJQGONHERFGOX-UHFFFAOYSA-N	-1	1	304.328	-1.047	20	0		DAADMM
CN(C)C(=O)CC(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001192724058	781979360	/nfs/dbraw/zinc/97/93/60/781979360.db2.gz	QZVYCKPVSKGZLC-SNVBAGLBSA-N	-1	1	324.385	-1.381	20	0		DAADMM
C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000274657187	130251832	/nfs/dbraw/zinc/25/18/32/130251832.db2.gz	OMZYFORPXWXGBX-XNPJLODASA-N	-1	1	317.367	-1.311	20	0		DAADMM
C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000274657186	130252099	/nfs/dbraw/zinc/25/20/99/130252099.db2.gz	OMZYFORPXWXGBX-MOVJSRMASA-N	-1	1	317.367	-1.311	20	0		DAADMM
COC(=O)[C@@H](CO)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000275184662	130297039	/nfs/dbraw/zinc/29/70/39/130297039.db2.gz	IKZDQRMULABNDK-SNVBAGLBSA-N	-1	1	322.321	-1.168	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]CCN1CCCS1(=O)=O	ZINC000289314022	131373068	/nfs/dbraw/zinc/37/30/68/131373068.db2.gz	KENWGYLGALQNOX-UHFFFAOYSA-N	-1	1	324.384	-1.121	20	0		DAADMM
CC[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)OC	ZINC000289478686	131389927	/nfs/dbraw/zinc/38/99/27/131389927.db2.gz	INZHKCDEJQTQBE-QMMMGPOBSA-N	-1	1	305.356	-1.213	20	0		DAADMM
Cc1nnc2n1C[C@H](C(=O)NCCNCc1n[nH]c(=O)[n-]1)CC2	ZINC001152090668	781998698	/nfs/dbraw/zinc/99/86/98/781998698.db2.gz	KCBGTAJWSVTNHS-SECBINFHSA-N	-1	1	320.357	-1.121	20	0		DAADMM
CCOC(=O)[C@@](C)(O)C[N-]S(=O)(=O)c1c(C)onc1N	ZINC000349538061	545852013	/nfs/dbraw/zinc/85/20/13/545852013.db2.gz	QCVRGNOWHQMIPR-JTQLQIEISA-N	-1	1	307.328	-0.842	20	0		DAADMM
COC1(CS(=O)(=O)[N-][C@@H]2CC(=O)N(C)C2=O)CCOCC1	ZINC000651691327	409376047	/nfs/dbraw/zinc/37/60/47/409376047.db2.gz	MHVIIJQSWUQJFR-SECBINFHSA-N	-1	1	320.367	-1.141	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H]1CC[C@@H](C(N)=O)O1	ZINC000519648248	409385625	/nfs/dbraw/zinc/38/56/25/409385625.db2.gz	VZZSAGYQOUJGML-BQBZGAKWSA-N	-1	1	304.328	-1.124	20	0		DAADMM
CC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(C)(C)O	ZINC000293773884	409330202	/nfs/dbraw/zinc/33/02/02/409330202.db2.gz	LFPUSYONRXMPMY-SECBINFHSA-N	-1	1	319.383	-1.088	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](O)C2(C)C)c(=O)n(C)c1=O	ZINC000130259760	409334127	/nfs/dbraw/zinc/33/41/27/409334127.db2.gz	NGODDLNMJUVFNQ-RKDXNWHRSA-N	-1	1	317.367	-1.478	20	0		DAADMM
CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cn2cnnn2)c1	ZINC000427910039	409347071	/nfs/dbraw/zinc/34/70/71/409347071.db2.gz	WALSEBDCWKVARV-UHFFFAOYSA-N	-1	1	312.311	-1.075	20	0		DAADMM
CCNC(=O)NCCNC(=O)CNC(=O)c1ncccc1[O-]	ZINC000351829566	409459103	/nfs/dbraw/zinc/45/91/03/409459103.db2.gz	NKXGCBXVERFDJR-UHFFFAOYSA-N	-1	1	309.326	-1.048	20	0		DAADMM
CO[C@H]1C[C@H](C(N)=O)N(C(=O)CNC(=O)c2ncccc2[O-])C1	ZINC000345000466	409432837	/nfs/dbraw/zinc/43/28/37/409432837.db2.gz	FMUJMIIDPXCCTH-DTWKUNHWSA-N	-1	1	322.321	-1.382	20	0		DAADMM
CN(CC(=O)NC1(c2nn[n-]n2)CCCC1)S(C)(=O)=O	ZINC000345487919	409436712	/nfs/dbraw/zinc/43/67/12/409436712.db2.gz	SNMUSKCTRDKJCT-UHFFFAOYSA-N	-1	1	302.360	-1.023	20	0		DAADMM
COC(=O)[C@@H](CNC(=O)CNC(=O)c1ncccc1[O-])OC	ZINC000347829664	409448111	/nfs/dbraw/zinc/44/81/11/409448111.db2.gz	HZZFJRKIDWMFPX-SECBINFHSA-N	-1	1	311.294	-1.179	20	0		DAADMM
COC[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])C(=O)OC	ZINC000351799508	409458365	/nfs/dbraw/zinc/45/83/65/409458365.db2.gz	QHPIEFKZRFIWOR-MRVPVSSYSA-N	-1	1	311.294	-1.179	20	0		DAADMM
O=C(CCc1cnc[nH]1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O	ZINC001193620221	782011430	/nfs/dbraw/zinc/01/14/30/782011430.db2.gz	UYGCLJPPNNHYMR-NXEZZACHSA-N	-1	1	321.341	-1.473	20	0		DAADMM
CCN(C(=O)CNC(=O)c1ncccc1[O-])[C@H]1CC(=O)NC1=O	ZINC000352360564	409468780	/nfs/dbraw/zinc/46/87/80/409468780.db2.gz	GPCBAPUFTPAPNH-QMMMGPOBSA-N	-1	1	320.305	-1.219	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@H](CO)C2CC2)c(=O)n(C)c1=O	ZINC000352552447	409468801	/nfs/dbraw/zinc/46/88/01/409468801.db2.gz	VLLFUXPURULCBW-VIFPVBQESA-N	-1	1	317.367	-1.619	20	0		DAADMM
CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)C(N)=O)o1	ZINC000352603882	409470396	/nfs/dbraw/zinc/47/03/96/409470396.db2.gz	PLEPJLHTUYRZOP-ZCFIWIBFSA-N	-1	1	306.296	-1.419	20	0		DAADMM
CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)co1	ZINC000357138239	409490709	/nfs/dbraw/zinc/49/07/09/409490709.db2.gz	BRHCSOGNOUEFHZ-SSDOTTSWSA-N	-1	1	306.296	-1.549	20	0		DAADMM
CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)C(=O)NC)o1	ZINC000357509041	409493401	/nfs/dbraw/zinc/49/34/01/409493401.db2.gz	LSNXCXHGNIHBMW-SSDOTTSWSA-N	-1	1	320.323	-1.159	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@](C)(O)C(=O)OC)o1	ZINC000358514019	409497975	/nfs/dbraw/zinc/49/79/75/409497975.db2.gz	NFCCHQBWVLFNGC-NSHDSACASA-N	-1	1	320.323	-1.159	20	0		DAADMM
CNC(=O)[C@H](CO)[N-]S(=O)(=O)CC1(C(=O)OC)CCC1	ZINC000360203962	409504993	/nfs/dbraw/zinc/50/49/93/409504993.db2.gz	JFMFPAVXAXMZJS-QMMMGPOBSA-N	-1	1	308.356	-1.644	20	0		DAADMM
C[C@@H](CC(N)=O)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000360491336	409508208	/nfs/dbraw/zinc/50/82/08/409508208.db2.gz	MZTVWJLEDPMFFN-LURJTMIESA-N	-1	1	304.328	-2.374	20	0		DAADMM
COC(=O)[C@H](CO)[N-]S(=O)(=O)CCCN1CCOCC1	ZINC000361821534	409510239	/nfs/dbraw/zinc/51/02/39/409510239.db2.gz	SHQYJOHPQAILBD-JTQLQIEISA-N	-1	1	310.372	-1.838	20	0		DAADMM
CN(C)S(=O)(=O)CC(N=c1nn[n-]n1C)C(F)(F)F	ZINC000517602022	409635375	/nfs/dbraw/zinc/63/53/75/409635375.db2.gz	CFKKYBUJVMLSFO-RXMQYKEDSA-N	-1	1	302.282	-1.134	20	0		DAADMM
CCC[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)c1nn[n-]n1	ZINC000434772278	409577368	/nfs/dbraw/zinc/57/73/68/409577368.db2.gz	CWYVGSRAJLRDCR-SECBINFHSA-N	-1	1	316.387	-1.113	20	0		DAADMM
CC(C)[C@@H](O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000158852071	409592253	/nfs/dbraw/zinc/59/22/53/409592253.db2.gz	OFDPXHCGBUGZIO-QMMMGPOBSA-N	-1	1	305.356	-1.621	20	0		DAADMM
CNC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@@]1(OC(C)C)CCOC1	ZINC000659944461	409701041	/nfs/dbraw/zinc/70/10/41/409701041.db2.gz	UDOMZDPWFCYUEP-CMPLNLGQSA-N	-1	1	324.399	-1.403	20	0		DAADMM
C[C@@H](O)C1([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1	ZINC000660048728	409702429	/nfs/dbraw/zinc/70/24/29/409702429.db2.gz	PSLPLBWLHKZACX-SSDOTTSWSA-N	-1	1	303.340	-1.724	20	0		DAADMM
COCC[C@H](CO)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000336836105	409658078	/nfs/dbraw/zinc/65/80/78/409658078.db2.gz	BKKUQLGVVFMBQC-MRVPVSSYSA-N	-1	1	321.355	-2.240	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]CC1CN(S(C)(=O)=O)C1	ZINC000349517095	409809892	/nfs/dbraw/zinc/80/98/92/409809892.db2.gz	ODVSLCRTFRWAEW-UHFFFAOYSA-N	-1	1	324.384	-1.265	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCC(=O)N(C)C1=O	ZINC000425233368	409810666	/nfs/dbraw/zinc/81/06/66/409810666.db2.gz	XZMPNMBROPEMCI-LURJTMIESA-N	-1	1	302.312	-1.009	20	0		DAADMM
O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(CCO)C[C@H]1O	ZINC001194281976	782036260	/nfs/dbraw/zinc/03/62/60/782036260.db2.gz	BKAQENAQLMPDCE-RKDXNWHRSA-N	-1	1	315.330	-2.377	20	0		DAADMM
COC(=O)CN(CCN1CCOCC1)Cc1nc(=O)n(C)[n-]1	ZINC000347494097	263217582	/nfs/dbraw/zinc/21/75/82/263217582.db2.gz	YAKUKMJIQPSOTF-UHFFFAOYSA-N	-1	1	313.358	-1.584	20	0		DAADMM
CCNC(=O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000330624258	263218166	/nfs/dbraw/zinc/21/81/66/263218166.db2.gz	QXKMKTUWMBPHNM-UHFFFAOYSA-N	-1	1	304.328	-2.502	20	0		DAADMM
NC(=O)N[C@H]1CCN(C(=O)CNC(=O)c2ncccc2[O-])C1	ZINC000345203452	263218277	/nfs/dbraw/zinc/21/82/77/263218277.db2.gz	AOCMERARNSFIDP-QMMMGPOBSA-N	-1	1	307.310	-1.214	20	0		DAADMM
CC[C@H](O)[C@H](CC)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000313078529	263221262	/nfs/dbraw/zinc/22/12/62/263221262.db2.gz	FSRFACLRVDCRTR-IUCAKERBSA-N	-1	1	319.383	-1.088	20	0		DAADMM
C[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)c2ncccc2[O-])C1	ZINC000358064873	263227895	/nfs/dbraw/zinc/22/78/95/263227895.db2.gz	KUNCZTAEVBAMTD-AWEZNQCLSA-N	-1	1	308.338	-1.300	20	0		DAADMM
C[C@H](C[S@](C)=O)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000330843439	263237967	/nfs/dbraw/zinc/23/79/67/263237967.db2.gz	NDPFJJZAPDWSGI-XJZHNMMOSA-N	-1	1	323.396	-1.871	20	0		DAADMM
CN(C)S(=O)(=O)[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000352543551	263240476	/nfs/dbraw/zinc/24/04/76/263240476.db2.gz	GMLLGFWKKQJBOX-VIFPVBQESA-N	-1	1	303.388	-1.036	20	0		DAADMM
NC(=O)C[C@H]1COCCN1C(=O)CNC(=O)c1ncccc1[O-]	ZINC000457064961	263240714	/nfs/dbraw/zinc/24/07/14/263240714.db2.gz	RDCUMWVGHRXLGB-VIFPVBQESA-N	-1	1	322.321	-1.380	20	0		DAADMM
C[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C[C@H](C)O	ZINC000269806889	263241447	/nfs/dbraw/zinc/24/14/47/263241447.db2.gz	UAFBOMKUKIQOEW-BDAKNGLRSA-N	-1	1	319.383	-1.231	20	0		DAADMM
COC(=O)CCN(C)S(=O)(=O)[N-][C@H](CF)C(=O)OC	ZINC000344972618	263246756	/nfs/dbraw/zinc/24/67/56/263246756.db2.gz	OCECDCZGLINYGV-SSDOTTSWSA-N	-1	1	300.308	-1.173	20	0		DAADMM
CCOC[C@@H](O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000315407772	263247088	/nfs/dbraw/zinc/24/70/88/263247088.db2.gz	UJQMTWIVVGPONZ-QMMMGPOBSA-N	-1	1	321.355	-2.240	20	0		DAADMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C1(C(N)=O)CC1	ZINC000443493217	263253576	/nfs/dbraw/zinc/25/35/76/263253576.db2.gz	QZFNFMIRSMAXIQ-UHFFFAOYSA-N	-1	1	302.312	-1.117	20	0		DAADMM
CO[C@@H]1C[C@@H](C(N)=O)N(C(=O)CNC(=O)c2ncccc2[O-])C1	ZINC000345000465	263265257	/nfs/dbraw/zinc/26/52/57/263265257.db2.gz	FMUJMIIDPXCCTH-BDAKNGLRSA-N	-1	1	322.321	-1.382	20	0		DAADMM
O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1nnn[n-]1	ZINC000346357645	263268859	/nfs/dbraw/zinc/26/88/59/263268859.db2.gz	YHHDFKICXRIFJW-SNVBAGLBSA-N	-1	1	323.357	-1.149	20	0		DAADMM
O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1nn[n-]n1	ZINC000346357645	263268861	/nfs/dbraw/zinc/26/88/61/263268861.db2.gz	YHHDFKICXRIFJW-SNVBAGLBSA-N	-1	1	323.357	-1.149	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C2CCC(O)CC2)c(=O)n(C)c1=O	ZINC000035115364	263276546	/nfs/dbraw/zinc/27/65/46/263276546.db2.gz	IYXBORCLRYITDB-UHFFFAOYSA-N	-1	1	317.367	-1.334	20	0		DAADMM
COC(=O)[C@H]1COCCN1C(=O)CNC(=O)c1ncccc1[O-]	ZINC000352549615	263280262	/nfs/dbraw/zinc/28/02/62/263280262.db2.gz	DPNKQJGUZTYSTN-SECBINFHSA-N	-1	1	323.305	-1.083	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2COCC2(C)C)c(=O)n(C)c1=O	ZINC000451961599	263280902	/nfs/dbraw/zinc/28/09/02/263280902.db2.gz	DOIGWXGCMFCNEK-SECBINFHSA-N	-1	1	317.367	-1.213	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@]2(C)CCCO2)c(=O)n(C)c1=O	ZINC000408448002	263282257	/nfs/dbraw/zinc/28/22/57/263282257.db2.gz	MGLDEZJJNMUANZ-GFCCVEGCSA-N	-1	1	317.367	-1.069	20	0		DAADMM
CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)C1=O	ZINC000331330063	263291030	/nfs/dbraw/zinc/29/10/30/263291030.db2.gz	HBDJKWUOPPXEJK-DTWKUNHWSA-N	-1	1	319.383	-1.082	20	0		DAADMM
Cn1[n-]c(CN2CCN(S(=O)(=O)C3CC3)CC2)nc1=O	ZINC000528614556	263299200	/nfs/dbraw/zinc/29/92/00/263299200.db2.gz	AADPRZNXLGSTII-UHFFFAOYSA-N	-1	1	301.372	-1.282	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2C[C@H](O)C2(C)C)c(=O)n(C)c1=O	ZINC000130259546	263305451	/nfs/dbraw/zinc/30/54/51/263305451.db2.gz	NGODDLNMJUVFNQ-IUCAKERBSA-N	-1	1	317.367	-1.478	20	0		DAADMM
NC(=O)[C@H]1CC[C@H](CNC(=O)CNC(=O)c2ncccc2[O-])O1	ZINC000343880346	263309620	/nfs/dbraw/zinc/30/96/20/263309620.db2.gz	YCONBXHDRZMVPE-PSASIEDQSA-N	-1	1	322.321	-1.334	20	0		DAADMM
CS(=O)(=O)NCCNC(=O)CNC(=O)c1ncccc1[O-]	ZINC000343175125	263314606	/nfs/dbraw/zinc/31/46/06/263314606.db2.gz	QXAFUIFONAOOMZ-UHFFFAOYSA-N	-1	1	316.339	-1.818	20	0		DAADMM
Cc1cnc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)o1	ZINC000331015803	263321980	/nfs/dbraw/zinc/32/19/80/263321980.db2.gz	YDYZPWIDSQBBDR-UHFFFAOYSA-N	-1	1	314.323	-1.141	20	0		DAADMM
CCOCCN1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001194437299	782040479	/nfs/dbraw/zinc/04/04/79/782040479.db2.gz	UJHMOABVLSQMDV-HTQZYQBOSA-N	-1	1	313.314	-1.906	20	0		DAADMM
CC(C)[C@H](F)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001195422930	782067294	/nfs/dbraw/zinc/06/72/94/782067294.db2.gz	PNFHNJFLJLCZCO-KKZNHRDASA-N	-1	1	315.349	-1.236	20	0		DAADMM
COC(=O)CNC(=O)CNC(=O)c1c[nH]c(=S)[n-]c1=O	ZINC001196023976	782090805	/nfs/dbraw/zinc/09/08/05/782090805.db2.gz	QGTWVQDCPAQSIZ-UHFFFAOYSA-N	-1	1	300.296	-1.510	20	0		DAADMM
COCCCS(=O)(=O)[N-][C@H](CN1CCOCC1)C(=O)OC	ZINC000559797714	332282318	/nfs/dbraw/zinc/28/23/18/332282318.db2.gz	QULGUTAIEKYWON-LLVKDONJSA-N	-1	1	324.399	-1.184	20	0		DAADMM
CC(=O)N1CC([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1	ZINC000565220565	332647396	/nfs/dbraw/zinc/64/73/96/332647396.db2.gz	HAWJYQDXUKZLCL-UHFFFAOYSA-N	-1	1	316.339	-2.407	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(C)C2=O)o1	ZINC000563498983	333612895	/nfs/dbraw/zinc/61/28/95/333612895.db2.gz	HUNVGMIKDLEALM-LURJTMIESA-N	-1	1	315.307	-1.325	20	0		DAADMM
CNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1	ZINC001110478878	782101220	/nfs/dbraw/zinc/10/12/20/782101220.db2.gz	OLQURJTUQFHVLQ-BBBLOLIVSA-N	-1	1	322.369	-1.534	20	0		DAADMM
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CO1	ZINC000571674790	336383758	/nfs/dbraw/zinc/38/37/58/336383758.db2.gz	BTRJTFRTXUCGJD-JGVFFNPUSA-N	-1	1	303.340	-1.460	20	0		DAADMM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CO1	ZINC000571674791	336383781	/nfs/dbraw/zinc/38/37/81/336383781.db2.gz	BTRJTFRTXUCGJD-SFYZADRCSA-N	-1	1	303.340	-1.460	20	0		DAADMM
COC(=O)[C@@H]([N-]S(=O)(=O)CCCN1CCOCC1)[C@H](C)O	ZINC000548700059	337815969	/nfs/dbraw/zinc/81/59/69/337815969.db2.gz	ASIZQAWXOBDTMM-QWRGUYRKSA-N	-1	1	324.399	-1.450	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001196752999	782112914	/nfs/dbraw/zinc/11/29/14/782112914.db2.gz	JEXXWOGWSYGAGJ-SNVBAGLBSA-N	-1	1	324.385	-1.346	20	0		DAADMM
CCC[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1nn[n-]n1	ZINC000267618993	520736865	/nfs/dbraw/zinc/73/68/65/520736865.db2.gz	UEQOWEXLFCDGIG-MRVPVSSYSA-N	-1	1	307.314	-1.282	20	0		DAADMM
CC[C@@H](COC)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000265636256	522594447	/nfs/dbraw/zinc/59/44/47/522594447.db2.gz	GVCQHXMVUDQLKO-QMMMGPOBSA-N	-1	1	305.356	-1.213	20	0		DAADMM
CC[C@H](O)CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000157852400	522805149	/nfs/dbraw/zinc/80/51/49/522805149.db2.gz	VWULERXVHYXMEH-QMMMGPOBSA-N	-1	1	305.356	-1.477	20	0		DAADMM
COCCN1CN(C(=O)CNC(=O)c2ncccc2[O-])CC1=O	ZINC000338367313	523876596	/nfs/dbraw/zinc/87/65/96/523876596.db2.gz	HAOJYWKIZYZZDC-UHFFFAOYSA-N	-1	1	322.321	-1.208	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC2(CCO)CC2)c(=O)n(C)c1=O	ZINC000157276612	527286835	/nfs/dbraw/zinc/28/68/35/527286835.db2.gz	XAIPMYMKCUTFEB-UHFFFAOYSA-N	-1	1	317.367	-1.475	20	0		DAADMM
Cn1cccc1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000266462464	527398614	/nfs/dbraw/zinc/39/86/14/527398614.db2.gz	QROOQTLFFLJAJF-UHFFFAOYSA-N	-1	1	312.351	-1.099	20	0		DAADMM
O=C(NC1(c2nn[n-]n2)CCCC1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	ZINC000668870410	545675344	/nfs/dbraw/zinc/67/53/44/545675344.db2.gz	DZHFSYNARSCBFJ-OPRDCNLKSA-N	-1	1	309.326	-1.502	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCC(=O)NC1=O	ZINC000344251159	545712328	/nfs/dbraw/zinc/71/23/28/545712328.db2.gz	DAVKZBOXMFQGEB-SSDOTTSWSA-N	-1	1	306.278	-1.562	20	0		DAADMM
Cn1c(=O)ccn(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1=O	ZINC000532793177	545733068	/nfs/dbraw/zinc/73/30/68/545733068.db2.gz	JICSRUGQGRFFIO-VIFPVBQESA-N	-1	1	319.325	-1.534	20	0		DAADMM
COC(=O)CCN(C)S(=O)(=O)[N-][C@H](C(=O)OC)[C@@H](C)O	ZINC000444185001	545781268	/nfs/dbraw/zinc/78/12/68/545781268.db2.gz	BHOMISXEROZAKK-APPZFPTMSA-N	-1	1	312.344	-1.762	20	0		DAADMM
CCOC(=O)[C@H](CO)[N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1	ZINC000351967057	545828737	/nfs/dbraw/zinc/82/87/37/545828737.db2.gz	HTHYPFPOROIDHA-AEJSXWLSSA-N	-1	1	310.372	-1.146	20	0		DAADMM
CN(Cc1cnc[nH]1)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000662915032	545839916	/nfs/dbraw/zinc/83/99/16/545839916.db2.gz	HMSIXMACRYZEGI-YMTOWFKASA-N	-1	1	322.321	-1.072	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCn2ccnn2)c(=O)n(C)c1=O	ZINC000679853865	545881473	/nfs/dbraw/zinc/88/14/73/545881473.db2.gz	GWOHGNYMKMBFMV-UHFFFAOYSA-N	-1	1	314.327	-2.346	20	0		DAADMM
Cn1cncc1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000685514199	545893765	/nfs/dbraw/zinc/89/37/65/545893765.db2.gz	FFRIOOORPQWPNL-UHFFFAOYSA-N	-1	1	313.339	-1.704	20	0		DAADMM
CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2nonc2C)c1=O	ZINC000736719000	598891874	/nfs/dbraw/zinc/89/18/74/598891874.db2.gz	NNSUFMPHNLRDGI-UHFFFAOYSA-N	-1	1	304.270	-1.050	20	0		DAADMM
CCCN(CCO)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736479354	598933815	/nfs/dbraw/zinc/93/38/15/598933815.db2.gz	JHWQCFDKWDVLPP-UHFFFAOYSA-N	-1	1	309.330	-1.527	20	0		DAADMM
CN(CC(C)(C)O)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736789000	598943934	/nfs/dbraw/zinc/94/39/34/598943934.db2.gz	REBUINAEIBTOEY-UHFFFAOYSA-N	-1	1	309.330	-1.529	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@H](CCO)C2)n(C)c1=O	ZINC000822601369	599037031	/nfs/dbraw/zinc/03/70/31/599037031.db2.gz	YGKGVPJXOTWNMV-QMMMGPOBSA-N	-1	1	321.341	-1.527	20	0		DAADMM
CC[C@H]1COCCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736410537	599065500	/nfs/dbraw/zinc/06/55/00/599065500.db2.gz	YJXLMGQQCGQTNF-QMMMGPOBSA-N	-1	1	321.341	-1.121	20	0		DAADMM
C[C@@H](CCO)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000820247780	599098895	/nfs/dbraw/zinc/09/88/95/599098895.db2.gz	AKOXXXOYPZKHLD-ZETCQYMHSA-N	-1	1	309.330	-1.306	20	0		DAADMM
C[C@H](CCO)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000820247776	599099214	/nfs/dbraw/zinc/09/92/14/599099214.db2.gz	AKOXXXOYPZKHLD-SSDOTTSWSA-N	-1	1	309.330	-1.306	20	0		DAADMM
C[C@@H](CC(N)=O)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000735987465	599118928	/nfs/dbraw/zinc/11/89/28/599118928.db2.gz	ZIDCICRPTVSKPV-YFKPBYRVSA-N	-1	1	308.302	-2.060	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NCC[S@@](C)=O)n(C)c1=O	ZINC000737598030	599206129	/nfs/dbraw/zinc/20/61/29/599206129.db2.gz	WDFVBKMHNUXVGQ-OAQYLSRUSA-N	-1	1	313.343	-1.946	20	0		DAADMM
CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000736865681	598267690	/nfs/dbraw/zinc/26/76/90/598267690.db2.gz	CECITCNRVLODIT-LURJTMIESA-N	-1	1	311.327	-1.326	20	0		DAADMM
CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000736865681	598267691	/nfs/dbraw/zinc/26/76/91/598267691.db2.gz	CECITCNRVLODIT-LURJTMIESA-N	-1	1	311.327	-1.326	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(=O)n(CCC(=O)NC(N)=O)c1=O	ZINC000737594559	598274336	/nfs/dbraw/zinc/27/43/36/598274336.db2.gz	YQKLVSMJQNJLPE-UHFFFAOYSA-N	-1	1	308.258	-2.688	20	0		DAADMM
NS(=O)(=O)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1	ZINC000737764245	598342939	/nfs/dbraw/zinc/34/29/39/598342939.db2.gz	IYIWJVIJXSHJGK-ZETCQYMHSA-N	-1	1	310.343	-1.086	20	0		DAADMM
NS(=O)(=O)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1	ZINC000737764245	598342941	/nfs/dbraw/zinc/34/29/41/598342941.db2.gz	IYIWJVIJXSHJGK-ZETCQYMHSA-N	-1	1	310.343	-1.086	20	0		DAADMM
C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000736230948	598405749	/nfs/dbraw/zinc/40/57/49/598405749.db2.gz	UWAKRHVMTOXLCC-ZETCQYMHSA-N	-1	1	323.338	-1.229	20	0		DAADMM
C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000736230948	598405751	/nfs/dbraw/zinc/40/57/51/598405751.db2.gz	UWAKRHVMTOXLCC-ZETCQYMHSA-N	-1	1	323.338	-1.229	20	0		DAADMM
O=S(=O)(NCCn1cncn1)c1ccc(-c2nnn[n-]2)nc1	ZINC000738337420	598540813	/nfs/dbraw/zinc/54/08/13/598540813.db2.gz	ASUSUQNODZYBNV-UHFFFAOYSA-N	-1	1	321.326	-1.168	20	0		DAADMM
O=S(=O)(NCCn1cncn1)c1ccc(-c2nn[n-]n2)nc1	ZINC000738337420	598540814	/nfs/dbraw/zinc/54/08/14/598540814.db2.gz	ASUSUQNODZYBNV-UHFFFAOYSA-N	-1	1	321.326	-1.168	20	0		DAADMM
COC(=O)N1CC(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1	ZINC000821663714	607361272	/nfs/dbraw/zinc/36/12/72/607361272.db2.gz	KRTXUODWRXNLIL-UHFFFAOYSA-N	-1	1	307.274	-1.975	20	0		DAADMM
CCn1nc(C(=O)n2ncc(-c3nn[n-]n3)c2N)ccc1=O	ZINC000736729018	598718123	/nfs/dbraw/zinc/71/81/23/598718123.db2.gz	RPQBAYGOUPYHFY-UHFFFAOYSA-N	-1	1	301.270	-1.090	20	0		DAADMM
CN(CC(F)F)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736789036	598816767	/nfs/dbraw/zinc/81/67/67/598816767.db2.gz	SGSRKVYFACEUFY-UHFFFAOYSA-N	-1	1	301.257	-1.035	20	0		DAADMM
CCS(=O)(=O)CCn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O	ZINC000821442402	599303873	/nfs/dbraw/zinc/30/38/73/599303873.db2.gz	ROGVNZVPZQKFCL-UHFFFAOYSA-N	-1	1	314.327	-1.838	20	0		DAADMM
C[C@@H](CO)CSc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736037645	599322360	/nfs/dbraw/zinc/32/23/60/599322360.db2.gz	MYXRLMBRDSLHPK-LURJTMIESA-N	-1	1	312.355	-1.015	20	0		DAADMM
CN(Cc1ncc[nH]1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736831977	599348504	/nfs/dbraw/zinc/34/85/04/599348504.db2.gz	VFYHPVZPGOCLKF-UHFFFAOYSA-N	-1	1	317.313	-1.376	20	0		DAADMM
CS(=O)(=O)N[C@@H]1CCCN(CCC(=O)NCC(=O)[O-])C1	ZINC000738158765	600159260	/nfs/dbraw/zinc/15/92/60/600159260.db2.gz	XYIGJDKUJWKPJE-SECBINFHSA-N	-1	1	307.372	-1.409	20	0		DAADMM
CN(C)CC(=O)N1CCN(CCC(=O)NCC(=O)[O-])CC1	ZINC000737359718	600272976	/nfs/dbraw/zinc/27/29/76/600272976.db2.gz	GKMNPZBCBQKCFL-UHFFFAOYSA-N	-1	1	300.359	-1.717	20	0		DAADMM
CCN1CCN(CC(=O)N[C@H](CC(=O)OC)C(=O)[O-])CC1	ZINC000829776707	600877334	/nfs/dbraw/zinc/87/73/34/600877334.db2.gz	UQVMBBDREWWTQU-SNVBAGLBSA-N	-1	1	301.343	-1.244	20	0		DAADMM
CN(CC(=O)[O-])C(=O)CCN1CCC[C@@H](S(N)(=O)=O)C1	ZINC000830691690	601002364	/nfs/dbraw/zinc/00/23/64/601002364.db2.gz	BCGOJXUFEUKKFU-SECBINFHSA-N	-1	1	307.372	-1.328	20	0		DAADMM
NC(=O)CN1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1	ZINC000826391430	607482746	/nfs/dbraw/zinc/48/27/46/607482746.db2.gz	KSWZJWPNOXDEPV-UHFFFAOYSA-N	-1	1	302.342	-1.135	20	0		DAADMM
C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCNS(C)(=O)=O)CC1	ZINC000827361768	601101378	/nfs/dbraw/zinc/10/13/78/601101378.db2.gz	FLIOXVXEXWHCAO-JTQLQIEISA-N	-1	1	321.399	-1.067	20	0		DAADMM
C[C@@H](CC(=O)[O-])N1CCN(C(=O)CN(C)S(C)(=O)=O)CC1	ZINC000827362987	601106790	/nfs/dbraw/zinc/10/67/90/601106790.db2.gz	XXQHPVBQZZFATI-JTQLQIEISA-N	-1	1	321.399	-1.115	20	0		DAADMM
C[C@@H](CS(=O)(=O)N1CCN(C(=O)CN(C)C)CC1)C(=O)[O-]	ZINC000827547503	601275032	/nfs/dbraw/zinc/27/50/32/601275032.db2.gz	UCVOXWIZNUYGKY-JTQLQIEISA-N	-1	1	321.399	-1.257	20	0		DAADMM
CN(C)CC(=O)N1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1	ZINC000830596680	601275277	/nfs/dbraw/zinc/27/52/77/601275277.db2.gz	ZHECIFUVINMHKN-UHFFFAOYSA-N	-1	1	324.341	-1.791	20	0		DAADMM
CN1CCN(C[C@H]2CN(C(=O)CNC(=O)[O-])CCO2)CC1	ZINC000738013498	602422779	/nfs/dbraw/zinc/42/27/79/602422779.db2.gz	ROQTVGMTUZNTIQ-NSHDSACASA-N	-1	1	300.359	-1.271	20	0		DAADMM
O=C([O-])NCCOCC(=O)N1CCO[C@H](c2nn[nH]n2)C1	ZINC000740666966	602667008	/nfs/dbraw/zinc/66/70/08/602667008.db2.gz	JKKYKLYXBKJKPE-ZETCQYMHSA-N	-1	1	300.275	-1.616	20	0		DAADMM
O=C([O-])NCC(=O)N[C@H]1CCN(CCN2CCOCC2)C1	ZINC000738650505	602770059	/nfs/dbraw/zinc/77/00/59/602770059.db2.gz	DORLHAPBDXFPNF-NSHDSACASA-N	-1	1	300.359	-1.223	20	0		DAADMM
O=C([O-])N1CCOC[C@H]1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1	ZINC000740347250	602897878	/nfs/dbraw/zinc/89/78/78/602897878.db2.gz	ILQBLUROSOHZPY-JGVFFNPUSA-N	-1	1	312.286	-1.522	20	0		DAADMM
C[C@H](CN1CCN(C)CC1)NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000738912276	603095285	/nfs/dbraw/zinc/09/52/85/603095285.db2.gz	OXHXWMXACDEOCJ-WOPDTQHZSA-N	-1	1	314.386	-1.148	20	0		DAADMM
C[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])N1CCN(C)CC1	ZINC000738917921	603098113	/nfs/dbraw/zinc/09/81/13/603098113.db2.gz	ZHWFJXVKXYKVBL-IJLUTSLNSA-N	-1	1	314.386	-1.148	20	0		DAADMM
COCCN(CC(=O)N1CCO[C@@H](c2nn[nH]n2)C1)C(=O)[O-]	ZINC000739821855	603112761	/nfs/dbraw/zinc/11/27/61/603112761.db2.gz	GVYWORMOGNFGOG-MRVPVSSYSA-N	-1	1	314.302	-1.274	20	0		DAADMM
O=S(=O)(NCCOCCO)c1ccc(-c2nnn[n-]2)nc1	ZINC000826491428	607622659	/nfs/dbraw/zinc/62/26/59/607622659.db2.gz	IWULRDALENHKLW-UHFFFAOYSA-N	-1	1	314.327	-1.451	20	0		DAADMM
O=S(=O)(NCCOCCO)c1ccc(-c2nn[n-]n2)nc1	ZINC000826491428	607622661	/nfs/dbraw/zinc/62/26/61/607622661.db2.gz	IWULRDALENHKLW-UHFFFAOYSA-N	-1	1	314.327	-1.451	20	0		DAADMM
O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@H](c2nn[nH]n2)C1	ZINC000831271598	603771942	/nfs/dbraw/zinc/77/19/42/603771942.db2.gz	DGBSFWCTWPEMDT-FXQIFTODSA-N	-1	1	312.286	-1.787	20	0		DAADMM
NS(=O)(=O)CCN1CCN(C[C@H]2CCN(C(=O)[O-])C2)CC1	ZINC000831245643	604113608	/nfs/dbraw/zinc/11/36/08/604113608.db2.gz	LDFMBUCUBWTHGU-LLVKDONJSA-N	-1	1	320.415	-1.108	20	0		DAADMM
C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)CCN1CCC(=O)[O-]	ZINC000833623533	605472461	/nfs/dbraw/zinc/47/24/61/605472461.db2.gz	QSSVXCUNTMKIKS-JTQLQIEISA-N	-1	1	311.342	-1.411	20	0		DAADMM
CN(C[C@H](O)C1CC1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000821595113	606200680	/nfs/dbraw/zinc/20/06/80/606200680.db2.gz	NCUQZHPOAZASFO-QMMMGPOBSA-N	-1	1	321.341	-1.529	20	0		DAADMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCO[C@@H](C(N)=O)C2)n1	ZINC000822609100	606596024	/nfs/dbraw/zinc/59/60/24/606596024.db2.gz	JPGDRCHHGVXLNH-SSDOTTSWSA-N	-1	1	321.301	-1.682	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCO[C@@H](C(N)=O)C2)n1	ZINC000822609100	606596026	/nfs/dbraw/zinc/59/60/26/606596026.db2.gz	JPGDRCHHGVXLNH-SSDOTTSWSA-N	-1	1	321.301	-1.682	20	0		DAADMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCN(C)C2=O)n1	ZINC000821622207	606597217	/nfs/dbraw/zinc/59/72/17/606597217.db2.gz	WJHJDKRSKGNTSO-ZETCQYMHSA-N	-1	1	305.302	-1.048	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCN(C)C2=O)n1	ZINC000821622207	606597219	/nfs/dbraw/zinc/59/72/19/606597219.db2.gz	WJHJDKRSKGNTSO-ZETCQYMHSA-N	-1	1	305.302	-1.048	20	0		DAADMM
CC(C)N(CCO)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000820116358	606643935	/nfs/dbraw/zinc/64/39/35/606643935.db2.gz	IJKIPDIIMFNMBD-UHFFFAOYSA-N	-1	1	309.330	-1.529	20	0		DAADMM
C[C@@H](CCCO)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000820241142	606730904	/nfs/dbraw/zinc/73/09/04/606730904.db2.gz	DYWSESIHMKZLNV-ZETCQYMHSA-N	-1	1	309.330	-1.163	20	0		DAADMM
CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2nccc(N)n2)c1=O	ZINC000821565412	606768805	/nfs/dbraw/zinc/76/88/05/606768805.db2.gz	RNUNTDPPQGVOFN-UHFFFAOYSA-N	-1	1	315.297	-1.370	20	0		DAADMM
C[C@@H]1OCCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[C@H]1C	ZINC000820819184	607029183	/nfs/dbraw/zinc/02/91/83/607029183.db2.gz	GFONBXAHXGSISM-YUMQZZPRSA-N	-1	1	321.341	-1.122	20	0		DAADMM
C[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)N1CCOCC1	ZINC000820260258	607207008	/nfs/dbraw/zinc/20/70/08/607207008.db2.gz	GPYOLCCNRZWGGF-VIFPVBQESA-N	-1	1	321.345	-1.705	20	0		DAADMM
NC(=O)C1(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CCCCC1	ZINC000822860265	607209883	/nfs/dbraw/zinc/20/98/83/607209883.db2.gz	QIBUFLXVWAGJMW-UHFFFAOYSA-N	-1	1	319.329	-1.237	20	0		DAADMM
CCOC(=O)[C@@H](C)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821313751	607216100	/nfs/dbraw/zinc/21/61/00/607216100.db2.gz	IHGGQXPSCYGALS-SSDOTTSWSA-N	-1	1	308.302	-1.132	20	0		DAADMM
COC(=O)[C@]1(F)CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1	ZINC000821653649	607221016	/nfs/dbraw/zinc/22/10/16/607221016.db2.gz	GRARDOQESLLSPE-NSHDSACASA-N	-1	1	324.276	-1.428	20	0		DAADMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC(OCC(F)F)C1	ZINC000823123383	607222008	/nfs/dbraw/zinc/22/20/08/607222008.db2.gz	XUQBFLGLSURLHE-UHFFFAOYSA-N	-1	1	314.256	-1.049	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N[C@]2(C)CCOC2)n(C)c1=O	ZINC000826356004	607905586	/nfs/dbraw/zinc/90/55/86/607905586.db2.gz	WUFHJCJEQYAOEI-GFCCVEGCSA-N	-1	1	307.314	-1.145	20	0		DAADMM
CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1nnnn1C	ZINC000825938343	608034598	/nfs/dbraw/zinc/03/45/98/608034598.db2.gz	PRRGTZRIYQALGU-UHFFFAOYSA-N	-1	1	318.349	-1.240	20	0		DAADMM
CCOC(=O)COCCn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O	ZINC000825518280	608095471	/nfs/dbraw/zinc/09/54/71/608095471.db2.gz	WTNCWVQKCXLTQV-UHFFFAOYSA-N	-1	1	324.297	-1.693	20	0		DAADMM
CCc1nc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)no1	ZINC000825744809	608095649	/nfs/dbraw/zinc/09/56/49/608095649.db2.gz	FRULQGMDGRUWTI-UHFFFAOYSA-N	-1	1	304.270	-1.279	20	0		DAADMM
Cc1cc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)nn1C	ZINC000826268140	608096453	/nfs/dbraw/zinc/09/64/53/608096453.db2.gz	LKQZNESKUOBTPZ-UHFFFAOYSA-N	-1	1	302.298	-1.183	20	0		DAADMM
Cn1ccc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)cc1=O	ZINC000826363390	608096765	/nfs/dbraw/zinc/09/67/65/608096765.db2.gz	KJAUWFSLTNQKGD-UHFFFAOYSA-N	-1	1	315.293	-1.526	20	0		DAADMM
C[C@H]1OCC[C@@H]1Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000825021050	608147995	/nfs/dbraw/zinc/14/79/95/608147995.db2.gz	OJUHOKJLHXGLEP-RQJHMYQMSA-N	-1	1	307.314	-1.147	20	0		DAADMM
CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccn(C)n2)c1=O	ZINC000825799667	608198286	/nfs/dbraw/zinc/19/82/86/608198286.db2.gz	PXACOESIIKDWOP-UHFFFAOYSA-N	-1	1	302.298	-1.008	20	0		DAADMM
C[C@@H]1CCOCCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000824969425	608416432	/nfs/dbraw/zinc/41/64/32/608416432.db2.gz	UKEAGTJEBAYGOF-MRVPVSSYSA-N	-1	1	321.341	-1.121	20	0		DAADMM
C[C@H](O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1	ZINC000824679905	608440250	/nfs/dbraw/zinc/44/02/50/608440250.db2.gz	WKPRCYNMVANIDU-QMMMGPOBSA-N	-1	1	304.314	-1.314	20	0		DAADMM
C[C@H](O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1	ZINC000824679905	608440252	/nfs/dbraw/zinc/44/02/52/608440252.db2.gz	WKPRCYNMVANIDU-QMMMGPOBSA-N	-1	1	304.314	-1.314	20	0		DAADMM
NS(=O)(=O)C[C@H]1CCCN1c1nccnc1-c1nnn[n-]1	ZINC000826394344	608541941	/nfs/dbraw/zinc/54/19/41/608541941.db2.gz	GQCFHSXPZOYAKW-SSDOTTSWSA-N	-1	1	310.343	-1.086	20	0		DAADMM
NS(=O)(=O)C[C@H]1CCCN1c1nccnc1-c1nn[n-]n1	ZINC000826394344	608541942	/nfs/dbraw/zinc/54/19/42/608541942.db2.gz	GQCFHSXPZOYAKW-SSDOTTSWSA-N	-1	1	310.343	-1.086	20	0		DAADMM
COCCN1CCN(c2nccnc2-c2nnn[n-]2)CC1=O	ZINC000826159332	608555651	/nfs/dbraw/zinc/55/56/51/608555651.db2.gz	BHSFHRKIKDODSD-UHFFFAOYSA-N	-1	1	304.314	-1.048	20	0		DAADMM
COCCN1CCN(c2nccnc2-c2nn[n-]n2)CC1=O	ZINC000826159332	608555653	/nfs/dbraw/zinc/55/56/53/608555653.db2.gz	BHSFHRKIKDODSD-UHFFFAOYSA-N	-1	1	304.314	-1.048	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)C2CCOCC2)c1=O	ZINC000826356528	608886420	/nfs/dbraw/zinc/88/64/20/608886420.db2.gz	VDIWZEPICWVKJB-UHFFFAOYSA-N	-1	1	320.309	-1.277	20	0		DAADMM
NC(=O)[C@@H]1CCCCN1C(=O)Cn1ccnc1-c1nnn[n-]1	ZINC000826390018	608892361	/nfs/dbraw/zinc/89/23/61/608892361.db2.gz	OCIVEASDIHBEPL-QMMMGPOBSA-N	-1	1	304.314	-1.070	20	0		DAADMM
NC(=O)[C@@H]1CCCCN1C(=O)Cn1ccnc1-c1nn[n-]n1	ZINC000826390018	608892362	/nfs/dbraw/zinc/89/23/62/608892362.db2.gz	OCIVEASDIHBEPL-QMMMGPOBSA-N	-1	1	304.314	-1.070	20	0		DAADMM
C[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@H](C)O1	ZINC000826232591	609167645	/nfs/dbraw/zinc/16/76/45/609167645.db2.gz	ZNTNAVRTUIZXMX-OCAPTIKFSA-N	-1	1	321.341	-1.122	20	0		DAADMM
COC[C@@H](O)Cn1cc(C(=O)OC)cc(-c2nn[n-]n2)c1=O	ZINC000826164170	609185145	/nfs/dbraw/zinc/18/51/45/609185145.db2.gz	FRHCQSVRTBSSEF-QMMMGPOBSA-N	-1	1	309.282	-1.178	20	0		DAADMM
CC[S@@](=O)CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000733899628	663488686	/nfs/dbraw/zinc/48/86/86/663488686.db2.gz	LAIOJLMNWXUCGL-LJQANCHMSA-N	-1	1	323.396	-1.869	20	0		DAADMM
CCN1CCOC[C@H]1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000969147182	662306013	/nfs/dbraw/zinc/30/60/13/662306013.db2.gz	RQIQQUNUGYTOLO-MNOVXSKESA-N	-1	1	324.385	-1.079	20	0		DAADMM
O=C([C@H]1CCC(=O)NC1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000969169978	662306471	/nfs/dbraw/zinc/30/64/71/662306471.db2.gz	KEGFNHLCONXIDY-DTWKUNHWSA-N	-1	1	308.342	-1.273	20	0		DAADMM
O=C(CN1CCCNC1=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000969195437	662307823	/nfs/dbraw/zinc/30/78/23/662307823.db2.gz	SQMBEIZCTTYUIV-SECBINFHSA-N	-1	1	323.357	-1.384	20	0		DAADMM
C[C@@H](NC(=O)C1=COCCO1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000969236891	662309076	/nfs/dbraw/zinc/30/90/76/662309076.db2.gz	KAFWNSKJRMOERG-SECBINFHSA-N	-1	1	323.353	-1.067	20	0		DAADMM
C[C@]1(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)CNC(=O)C1	ZINC000969439808	662317461	/nfs/dbraw/zinc/31/74/61/662317461.db2.gz	MJDMPMLRUBVPEY-AMIZOPFISA-N	-1	1	308.342	-1.273	20	0		DAADMM
C[C@@]1(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)CCNC1=O	ZINC000969936399	662334987	/nfs/dbraw/zinc/33/49/87/662334987.db2.gz	ATGKAEMRRVKJHC-AMIZOPFISA-N	-1	1	308.342	-1.273	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@H]2COCCN2C)nc1=O	ZINC001038177467	662344072	/nfs/dbraw/zinc/34/40/72/662344072.db2.gz	KTLKNNHESXMQFF-WDEREUQCSA-N	-1	1	324.385	-1.871	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)c2cncnc2)nc1=O	ZINC001038180129	662345976	/nfs/dbraw/zinc/34/59/76/662345976.db2.gz	MCUDRUUSOZMWRN-SNVBAGLBSA-N	-1	1	303.326	-1.097	20	0		DAADMM
NC(=O)C(=O)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1	ZINC001021444104	662368537	/nfs/dbraw/zinc/36/85/37/662368537.db2.gz	ICEAMEXVWCNMGA-DTWKUNHWSA-N	-1	1	304.306	-1.055	20	0		DAADMM
C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000970760998	662369604	/nfs/dbraw/zinc/36/96/04/662369604.db2.gz	SVXHDRAFBQXPJK-WPRPVWTQSA-N	-1	1	322.369	-1.677	20	0		DAADMM
Cn1cnc(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001010868425	662377242	/nfs/dbraw/zinc/37/72/42/662377242.db2.gz	GPHOAQJAMQDCAC-MRVPVSSYSA-N	-1	1	306.330	-1.759	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1	ZINC000971453007	662383707	/nfs/dbraw/zinc/38/37/07/662383707.db2.gz	XBMAZBINRARHQA-IUCAKERBSA-N	-1	1	324.341	-1.751	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1	ZINC000971545097	662385356	/nfs/dbraw/zinc/38/53/56/662385356.db2.gz	JYVHQPORHCMFJS-SECBINFHSA-N	-1	1	321.345	-2.172	20	0		DAADMM
Cn1cc(CN[C@H]2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)nn1	ZINC001022369704	662391124	/nfs/dbraw/zinc/39/11/24/662391124.db2.gz	NFAZKBNOADDIDW-KNVOCYPGSA-N	-1	1	320.313	-1.538	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1	ZINC000972080735	662399843	/nfs/dbraw/zinc/39/98/43/662399843.db2.gz	VZEZQEIHBLCPSU-NXEZZACHSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1	ZINC000972214082	662404783	/nfs/dbraw/zinc/40/47/83/662404783.db2.gz	ASXRLVVEJRJOFZ-VIFPVBQESA-N	-1	1	322.369	-1.593	20	0		DAADMM
CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C	ZINC000947505443	662406455	/nfs/dbraw/zinc/40/64/55/662406455.db2.gz	BIHIHAOTNLMZST-YUMQZZPRSA-N	-1	1	324.341	-1.389	20	0		DAADMM
CNC(=O)CN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C	ZINC000947505443	662406458	/nfs/dbraw/zinc/40/64/58/662406458.db2.gz	BIHIHAOTNLMZST-YUMQZZPRSA-N	-1	1	324.341	-1.389	20	0		DAADMM
CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C	ZINC000947505440	662406590	/nfs/dbraw/zinc/40/65/90/662406590.db2.gz	BIHIHAOTNLMZST-HTQZYQBOSA-N	-1	1	324.341	-1.389	20	0		DAADMM
CNC(=O)CN1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1C	ZINC000947505440	662406599	/nfs/dbraw/zinc/40/65/99/662406599.db2.gz	BIHIHAOTNLMZST-HTQZYQBOSA-N	-1	1	324.341	-1.389	20	0		DAADMM
Cn1cnnc1CN[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001023025641	662424402	/nfs/dbraw/zinc/42/44/02/662424402.db2.gz	OUTAJIKWCCMXGF-OCAPTIKFSA-N	-1	1	322.329	-1.745	20	0		DAADMM
Cn1ncnc1CN[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001023027822	662425063	/nfs/dbraw/zinc/42/50/63/662425063.db2.gz	YDFMCJSSBJPFFR-OCAPTIKFSA-N	-1	1	322.329	-1.745	20	0		DAADMM
CNC(=O)CN1CCC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001023468750	662449081	/nfs/dbraw/zinc/44/90/81/662449081.db2.gz	ZFBAOVVDVHIQPH-QMMMGPOBSA-N	-1	1	324.341	-1.529	20	0		DAADMM
CN1C[C@H](C(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)CC1=O	ZINC001038312893	662482961	/nfs/dbraw/zinc/48/29/61/662482961.db2.gz	UHICNHDWBKSBLH-NXEZZACHSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN1C[C@@H](C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)CC1=O	ZINC001038312896	662483052	/nfs/dbraw/zinc/48/30/52/662483052.db2.gz	UHICNHDWBKSBLH-UWVGGRQHSA-N	-1	1	322.369	-1.723	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(C)=O)C[C@H]1O	ZINC001024764725	662483503	/nfs/dbraw/zinc/48/35/03/662483503.db2.gz	NHJNYUDDVULABN-RNFRBKRXSA-N	-1	1	312.282	-1.782	20	0		DAADMM
NC(=O)C(=O)N[C@H]1C[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000973465662	662516972	/nfs/dbraw/zinc/51/69/72/662516972.db2.gz	FEYVDHJJDRPXEP-IZLXSQMJSA-N	-1	1	319.281	-2.720	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@@H]2CCCNC2=O)nc1=O	ZINC001038361905	662547326	/nfs/dbraw/zinc/54/73/26/662547326.db2.gz	SEQUBOPSRUATHU-NXEZZACHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
CS(=O)(=O)CC(=O)N1CC[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001026716604	662561850	/nfs/dbraw/zinc/56/18/50/662561850.db2.gz	VUXCKAZRDUHLIK-QMMMGPOBSA-N	-1	1	317.371	-1.507	20	0		DAADMM
NC(=O)C(=O)N1C[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]21	ZINC000974967290	662571200	/nfs/dbraw/zinc/57/12/00/662571200.db2.gz	YHTBQRGURBLDOJ-RKDXNWHRSA-N	-1	1	304.306	-1.055	20	0		DAADMM
CCC(=O)N[C@@H]1[C@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@H]21	ZINC000976001797	662577163	/nfs/dbraw/zinc/57/71/63/662577163.db2.gz	SUHNWAQLKFSDES-IWIIMEHWSA-N	-1	1	320.349	-1.090	20	0		DAADMM
CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000976860713	662592138	/nfs/dbraw/zinc/59/21/38/662592138.db2.gz	ZKTWKCHFSPSRBH-VROVMSAKSA-N	-1	1	302.294	-1.376	20	0		DAADMM
CNC(=O)CN1C[C@@H]2[C@@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1	ZINC000978407188	662613583	/nfs/dbraw/zinc/61/35/83/662613583.db2.gz	ABSJXYOTJNUNTA-WHUPJOBBSA-N	-1	1	322.325	-2.064	20	0		DAADMM
C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)c2cn[nH]n2)CCO1	ZINC000979344439	662623257	/nfs/dbraw/zinc/62/32/57/662623257.db2.gz	OOWONNYTQRBRIG-IONNQARKSA-N	-1	1	322.329	-1.352	20	0		DAADMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)c2cn[nH]n2)CCO1	ZINC000979344441	662623459	/nfs/dbraw/zinc/62/34/59/662623459.db2.gz	OOWONNYTQRBRIG-VXNVDRBHSA-N	-1	1	322.329	-1.352	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)[C@H]2CCC(=O)N2)nc1=O	ZINC001027792816	662624174	/nfs/dbraw/zinc/62/41/74/662624174.db2.gz	WWGDATSNUXSSEJ-NXEZZACHSA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H]2CNC(=O)[C@H]2CCC(=O)N2)nc1=O	ZINC001027792817	662624395	/nfs/dbraw/zinc/62/43/95/662624395.db2.gz	WWGDATSNUXSSEJ-VHSXEESVSA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cn1ncc(C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)n1	ZINC001038803344	662625980	/nfs/dbraw/zinc/62/59/80/662625980.db2.gz	ZRTCWEZWOQFGSE-QMMMGPOBSA-N	-1	1	306.330	-1.759	20	0		DAADMM
Cn1nncc1C(=O)NC[C@@H]1CCCN1Cc1nc(=O)n(C)[n-]1	ZINC001027855773	662630437	/nfs/dbraw/zinc/63/04/37/662630437.db2.gz	XBZFFEIDFFJTEN-VIFPVBQESA-N	-1	1	320.357	-1.369	20	0		DAADMM
Cn1cc(C(=O)NC[C@@H]2CCCN2Cc2nc(=O)n(C)[n-]2)nn1	ZINC001027861112	662630921	/nfs/dbraw/zinc/63/09/21/662630921.db2.gz	RIONXIVJIPJMIC-VIFPVBQESA-N	-1	1	320.357	-1.369	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)nc1=O	ZINC001027861561	662631138	/nfs/dbraw/zinc/63/11/38/662631138.db2.gz	YMAFKKUAUHWYDB-BDAKNGLRSA-N	-1	1	324.341	-1.703	20	0		DAADMM
Cn1cnc(C(=O)NC[C@H]2CCCN2Cc2nc(=O)n(C)[n-]2)n1	ZINC001027864869	662631585	/nfs/dbraw/zinc/63/15/85/662631585.db2.gz	HVMGXGKIBSVKQE-SECBINFHSA-N	-1	1	320.357	-1.369	20	0		DAADMM
Cn1cnc(C(=O)NC[C@@H]2CCCN2Cc2nc(=O)n(C)[n-]2)n1	ZINC001027864870	662631596	/nfs/dbraw/zinc/63/15/96/662631596.db2.gz	HVMGXGKIBSVKQE-VIFPVBQESA-N	-1	1	320.357	-1.369	20	0		DAADMM
CN([C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1)[C@@H]1CCNC1=O	ZINC000980262053	662634531	/nfs/dbraw/zinc/63/45/31/662634531.db2.gz	CRDAIEUBBISHMX-RKDXNWHRSA-N	-1	1	324.341	-1.890	20	0		DAADMM
CC[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001027999840	662639901	/nfs/dbraw/zinc/63/99/01/662639901.db2.gz	QZIMHLRHPLTMGZ-JGVFFNPUSA-N	-1	1	324.341	-1.259	20	0		DAADMM
CC[C@H](C(N)=O)N1CCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001027999840	662639903	/nfs/dbraw/zinc/63/99/03/662639903.db2.gz	QZIMHLRHPLTMGZ-JGVFFNPUSA-N	-1	1	324.341	-1.259	20	0		DAADMM
CC[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001027999842	662640146	/nfs/dbraw/zinc/64/01/46/662640146.db2.gz	QZIMHLRHPLTMGZ-YUMQZZPRSA-N	-1	1	324.341	-1.259	20	0		DAADMM
CC[C@@H](C(N)=O)N1CCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001027999842	662640147	/nfs/dbraw/zinc/64/01/47/662640147.db2.gz	QZIMHLRHPLTMGZ-YUMQZZPRSA-N	-1	1	324.341	-1.259	20	0		DAADMM
Cn1cnc(C(=O)N2CCCN(Cc3nc(=O)n(C)[n-]3)CC2)n1	ZINC000981105507	662641706	/nfs/dbraw/zinc/64/17/06/662641706.db2.gz	GKZQHGQRVHSCDB-UHFFFAOYSA-N	-1	1	320.357	-1.415	20	0		DAADMM
Cn1[n-]c(CN2CCCC3(CN(C(=O)C(N)=O)C3)C2)nc1=O	ZINC000981972367	662650799	/nfs/dbraw/zinc/65/07/99/662650799.db2.gz	SXODWQMTEUVFKU-UHFFFAOYSA-N	-1	1	308.342	-1.982	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H]2CNC(=O)c2cnon2)nc1=O	ZINC001028217560	662652749	/nfs/dbraw/zinc/65/27/49/662652749.db2.gz	SUTDPTQDWXJALN-QMMMGPOBSA-N	-1	1	307.314	-1.114	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)c2cnon2)nc1=O	ZINC001028217558	662652774	/nfs/dbraw/zinc/65/27/74/662652774.db2.gz	SUTDPTQDWXJALN-MRVPVSSYSA-N	-1	1	307.314	-1.114	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@@H]2CCNC(=O)C2)nc1=O	ZINC001038162833	662654302	/nfs/dbraw/zinc/65/43/02/662654302.db2.gz	YXIPVZIRAWZADD-NXEZZACHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@H]2CCNC(=O)C2)nc1=O	ZINC001038162835	662654485	/nfs/dbraw/zinc/65/44/85/662654485.db2.gz	YXIPVZIRAWZADD-UWVGGRQHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
NC(=O)CN1CCC[C@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001028260995	662656295	/nfs/dbraw/zinc/65/62/95/662656295.db2.gz	RVMZRKAKHAMEPP-QMMMGPOBSA-N	-1	1	319.325	-1.903	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)nc1=O	ZINC001028449303	662672046	/nfs/dbraw/zinc/67/20/46/662672046.db2.gz	ZYPJWGVOCAVIMI-NXEZZACHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
C[C@H](C(=O)NN1CC(=O)[N-]C1=O)N1C(=O)NC2(CCCC2)C1=O	ZINC000726619529	662680285	/nfs/dbraw/zinc/68/02/85/662680285.db2.gz	NCJWFKIZXIWSNX-SSDOTTSWSA-N	-1	1	323.309	-1.178	20	0		DAADMM
CC(=O)NC[C@@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC000982994671	662683763	/nfs/dbraw/zinc/68/37/63/662683763.db2.gz	CURUGKJLLIEAEK-NSHDSACASA-N	-1	1	308.338	-1.089	20	0		DAADMM
COC(=O)N1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC000727851093	662706545	/nfs/dbraw/zinc/70/65/45/662706545.db2.gz	FXTZMXPZMQHXSB-UHFFFAOYSA-N	-1	1	310.310	-1.163	20	0		DAADMM
CN(CC(=O)N1CCOCC1)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000727847961	662706792	/nfs/dbraw/zinc/70/67/92/662706792.db2.gz	AIORPSAFGQZRAO-UHFFFAOYSA-N	-1	1	324.337	-1.756	20	0		DAADMM
CO[N-]C(=O)CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC000896703016	662707816	/nfs/dbraw/zinc/70/78/16/662707816.db2.gz	SLOPKMXHVYLBSB-WDEREUQCSA-N	-1	1	300.359	-1.095	20	0		DAADMM
CN(CC(N)=O)C1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1	ZINC000985565042	662712723	/nfs/dbraw/zinc/71/27/23/662712723.db2.gz	BSPIKTHFGXIXDA-UHFFFAOYSA-N	-1	1	323.353	-1.492	20	0		DAADMM
C[C@@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CS(C)(=O)=O	ZINC000986041874	662715527	/nfs/dbraw/zinc/71/55/27/662715527.db2.gz	MYDHCFXLOAMINW-HTQZYQBOSA-N	-1	1	317.371	-1.366	20	0		DAADMM
C[C@@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CN1CN=NC1=O	ZINC000986181291	662715987	/nfs/dbraw/zinc/71/59/87/662715987.db2.gz	GCUXZUPOFXKOEW-HTQZYQBOSA-N	-1	1	322.329	-1.413	20	0		DAADMM
C[C@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)c1nnn(C)n1	ZINC000986666518	662718851	/nfs/dbraw/zinc/71/88/51/662718851.db2.gz	WZBFLLDSXPMEFW-NKWVEPMBSA-N	-1	1	307.318	-1.573	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)c1c[nH]c(=O)cn1	ZINC000986750339	662718969	/nfs/dbraw/zinc/71/89/69/662718969.db2.gz	SSCNXXRWOBRFIV-YUMQZZPRSA-N	-1	1	319.325	-1.014	20	0		DAADMM
C[C@@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CCn1cnnn1	ZINC000987250298	662721576	/nfs/dbraw/zinc/72/15/76/662721576.db2.gz	TYKWUAGQNQJKAK-RKDXNWHRSA-N	-1	1	321.345	-1.334	20	0		DAADMM
C[C@@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)Cn1cncn1	ZINC000987470668	662722746	/nfs/dbraw/zinc/72/27/46/662722746.db2.gz	HDFAQZOHNNKHHJ-BDAKNGLRSA-N	-1	1	306.330	-1.119	20	0		DAADMM
C[C@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)Cn1cncn1	ZINC000987470669	662722940	/nfs/dbraw/zinc/72/29/40/662722940.db2.gz	HDFAQZOHNNKHHJ-DTWKUNHWSA-N	-1	1	306.330	-1.119	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)Cn1cncn1	ZINC000987470670	662722968	/nfs/dbraw/zinc/72/29/68/662722968.db2.gz	HDFAQZOHNNKHHJ-IUCAKERBSA-N	-1	1	306.330	-1.119	20	0		DAADMM
C[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)Cn1ncnn1	ZINC000988838970	662739317	/nfs/dbraw/zinc/73/93/17/662739317.db2.gz	QEDWYCDVVMPWKZ-JGVFFNPUSA-N	-1	1	307.318	-1.724	20	0		DAADMM
C[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)Cn1nccn1	ZINC000988897238	662740748	/nfs/dbraw/zinc/74/07/48/662740748.db2.gz	FPQOOEPZIZVDHI-DTWKUNHWSA-N	-1	1	306.330	-1.119	20	0		DAADMM
Cn1[n-]c(CN2CCCN(C(=O)Cc3nnc[nH]3)CC2)nc1=O	ZINC000989452830	662746915	/nfs/dbraw/zinc/74/69/15/662746915.db2.gz	QIPQAMBJYQCSAI-UHFFFAOYSA-N	-1	1	320.357	-1.497	20	0		DAADMM
C[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)Cc1nnc[nH]1	ZINC000989656561	662750003	/nfs/dbraw/zinc/75/00/03/662750003.db2.gz	HEQSASRRFOWZQJ-JGVFFNPUSA-N	-1	1	306.330	-1.050	20	0		DAADMM
O=C(NC1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1)C1CC1	ZINC000990028377	662752399	/nfs/dbraw/zinc/75/23/99/662752399.db2.gz	LZLHKQOOIKNHIW-UHFFFAOYSA-N	-1	1	302.294	-1.232	20	0		DAADMM
O=C(NC1CN(C(=O)[C@H]2CCNC2=O)C1)c1ncccc1[O-]	ZINC000990976155	662788242	/nfs/dbraw/zinc/78/82/42/662788242.db2.gz	WIZVLCQXYBUBRT-VIFPVBQESA-N	-1	1	304.306	-1.136	20	0		DAADMM
CCNC(=O)NCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC	ZINC000912554363	663153740	/nfs/dbraw/zinc/15/37/40/663153740.db2.gz	YHDNHYDQGVDLFS-UHFFFAOYSA-N	-1	1	319.343	-1.206	20	0		DAADMM
Cn1cc(C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)cn1	ZINC001038054437	663153852	/nfs/dbraw/zinc/15/38/52/663153852.db2.gz	HMWLNZJMUUFQIW-JTQLQIEISA-N	-1	1	305.342	-1.154	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CC(=O)N(C)C1=O	ZINC000912549951	663153917	/nfs/dbraw/zinc/15/39/17/663153917.db2.gz	IXLMKZWFKULIBU-ZCFIWIBFSA-N	-1	1	316.295	-1.768	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@](C)(CO)C(=O)OC	ZINC000912557271	663154078	/nfs/dbraw/zinc/15/40/78/663154078.db2.gz	WMQUHYIXTUJDIQ-JTQLQIEISA-N	-1	1	321.311	-1.601	20	0		DAADMM
NC(=O)CC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H](O)C1	ZINC000991426944	663156078	/nfs/dbraw/zinc/15/60/78/663156078.db2.gz	NOXHHZQIGHAYTA-WCBMZHEXSA-N	-1	1	322.321	-1.646	20	0		DAADMM
O=C(C1CN([C@@H]2CCOC2)C1)N1CCOC[C@H]1c1nnn[n-]1	ZINC000913499044	663158011	/nfs/dbraw/zinc/15/80/11/663158011.db2.gz	LFSBOKRKKCIHQB-MNOVXSKESA-N	-1	1	308.342	-1.180	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCCCCCO)c(=O)n(C)c1=O	ZINC000224485581	663165826	/nfs/dbraw/zinc/16/58/26/663165826.db2.gz	OAIGVZXLADEECD-UHFFFAOYSA-N	-1	1	319.383	-1.085	20	0		DAADMM
Cc1cc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)ncn1	ZINC001030227783	663171369	/nfs/dbraw/zinc/17/13/69/663171369.db2.gz	FLUUKKKETBYTQA-UHFFFAOYSA-N	-1	1	303.326	-1.179	20	0		DAADMM
C[C@@H](C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1)n1cncn1	ZINC001030232040	663171981	/nfs/dbraw/zinc/17/19/81/663171981.db2.gz	MGUMGILDKLQUNZ-QMMMGPOBSA-N	-1	1	306.330	-1.739	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CN3CN=NC3=O)C2)nc1=O	ZINC001030237749	663172553	/nfs/dbraw/zinc/17/25/53/663172553.db2.gz	KTFNJKUBNSGVFR-UHFFFAOYSA-N	-1	1	308.302	-2.594	20	0		DAADMM
Cc1cc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)cnn1	ZINC001030251739	663173230	/nfs/dbraw/zinc/17/32/30/663173230.db2.gz	FDZLFRSXCWDTDT-UHFFFAOYSA-N	-1	1	303.326	-1.179	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3cc(=O)n(C)o3)C2)nc1=O	ZINC001030256495	663173269	/nfs/dbraw/zinc/17/32/69/663173269.db2.gz	LZQASZZSIPGZBT-UHFFFAOYSA-N	-1	1	308.298	-1.986	20	0		DAADMM
CC(=O)N1CC(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)C1	ZINC001030248543	663173486	/nfs/dbraw/zinc/17/34/86/663173486.db2.gz	AYQNITVTLKGFIP-UHFFFAOYSA-N	-1	1	308.342	-2.113	20	0		DAADMM
CCn1ccnc1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001030260142	663173761	/nfs/dbraw/zinc/17/37/61/663173761.db2.gz	LEPORLKQVYZMGK-UHFFFAOYSA-N	-1	1	305.342	-1.061	20	0		DAADMM
Cc1nnc(CC(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)o1	ZINC001030277739	663174805	/nfs/dbraw/zinc/17/48/05/663174805.db2.gz	GTXCKADUDGAVJQ-UHFFFAOYSA-N	-1	1	307.314	-1.657	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NC(N)=O)o1	ZINC000046314996	663175715	/nfs/dbraw/zinc/17/57/15/663175715.db2.gz	DMMJEMCLEJHAEE-YFKPBYRVSA-N	-1	1	319.295	-1.072	20	0		DAADMM
C[C@@H](C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1)c1ccnn1C	ZINC001030331495	663179778	/nfs/dbraw/zinc/17/97/78/663179778.db2.gz	HBXGBGLYCFGTSG-SECBINFHSA-N	-1	1	319.369	-1.054	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)C3CS(=O)(=O)C3)C2)nc1=O	ZINC001030368470	663182399	/nfs/dbraw/zinc/18/23/99/663182399.db2.gz	OCNSTGFJBDWQEN-UHFFFAOYSA-N	-1	1	315.355	-2.547	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3cnn4c3CCC4)C2)nc1=O	ZINC001030402804	663186584	/nfs/dbraw/zinc/18/65/84/663186584.db2.gz	LRFQIDLTVFVZBW-UHFFFAOYSA-N	-1	1	317.353	-1.135	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)C[C@H]3CCC(=O)NC3)C2)nc1=O	ZINC001030427716	663193139	/nfs/dbraw/zinc/19/31/39/663193139.db2.gz	RHFKNXKVBKTOFN-SECBINFHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)C[C@@H]3NC(=O)NC3=O)C2)nc1=O	ZINC001030460207	663196157	/nfs/dbraw/zinc/19/61/57/663196157.db2.gz	UBUKZROKQSTPJT-ZETCQYMHSA-N	-1	1	323.313	-2.993	20	0		DAADMM
CCc1c[nH]c(CC(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001030467328	663196704	/nfs/dbraw/zinc/19/67/04/663196704.db2.gz	MHPGAXLIOAINKP-UHFFFAOYSA-N	-1	1	319.369	-1.063	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3cc(=O)n(C)cn3)C2)nc1=O	ZINC001030465473	663196776	/nfs/dbraw/zinc/19/67/76/663196776.db2.gz	QHEBNQMDHMETLK-UHFFFAOYSA-N	-1	1	319.325	-2.184	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@@H]3CCC(=O)NC3)C2)nc1=O	ZINC001030590692	663202223	/nfs/dbraw/zinc/20/22/23/663202223.db2.gz	SBBUTKDQJOFJQD-MRVPVSSYSA-N	-1	1	308.342	-2.065	20	0		DAADMM
Cc1nc([C@H](C)N2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n[nH]1	ZINC001030616645	663207352	/nfs/dbraw/zinc/20/73/52/663207352.db2.gz	CWAXGGYONFHDLV-YFKPBYRVSA-N	-1	1	320.313	-1.115	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3ccc(C(N)=O)o3)C2)nc1=O	ZINC001030649742	663209624	/nfs/dbraw/zinc/20/96/24/663209624.db2.gz	BUTYFEJFDVCVMY-UHFFFAOYSA-N	-1	1	320.309	-1.586	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@@]3(C)CNC(=O)C3)C2)nc1=O	ZINC001030726819	663217444	/nfs/dbraw/zinc/21/74/44/663217444.db2.gz	KDRFOSQTQGVJSE-CYBMUJFWSA-N	-1	1	308.342	-2.065	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CN3CCNC(=O)C3)C2)nc1=O	ZINC001030785671	663221936	/nfs/dbraw/zinc/22/19/36/663221936.db2.gz	FZLNTRSRSYTMAD-UHFFFAOYSA-N	-1	1	323.357	-3.159	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@@H]3CC[C@H]3C(N)=O)C2)nc1=O	ZINC001030788891	663222917	/nfs/dbraw/zinc/22/29/17/663222917.db2.gz	ALYHLAQYJKRPDR-RKDXNWHRSA-N	-1	1	308.342	-2.080	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@]3(NC(=O)C(N)=O)CCC[C@H]23)nc1=O	ZINC000992152990	663223882	/nfs/dbraw/zinc/22/38/82/663223882.db2.gz	FORZDBRITWOCMD-SDBXPKJASA-N	-1	1	308.342	-1.793	20	0		DAADMM
COC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)C(N)=O	ZINC000758480583	663229695	/nfs/dbraw/zinc/22/96/95/663229695.db2.gz	GEOZFCDZGQAKPQ-SSDOTTSWSA-N	-1	1	306.296	-1.155	20	0		DAADMM
Cn1cc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)[nH]c1=O	ZINC001030895608	663232532	/nfs/dbraw/zinc/23/25/32/663232532.db2.gz	JQRGZKHJAKQOAY-UHFFFAOYSA-N	-1	1	307.314	-1.838	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nc1=O	ZINC001030947773	663237070	/nfs/dbraw/zinc/23/70/70/663237070.db2.gz	CVBIEONCVYBTEF-DTWKUNHWSA-N	-1	1	324.341	-2.558	20	0		DAADMM
C[C@@H](C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1)[C@H]1CCC(=O)N1	ZINC001030987430	663241448	/nfs/dbraw/zinc/24/14/48/663241448.db2.gz	OWHBCIWPHXSMMH-PSASIEDQSA-N	-1	1	322.369	-1.677	20	0		DAADMM
CC(C)n1cc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001031159876	663252996	/nfs/dbraw/zinc/25/29/96/663252996.db2.gz	RGQBXKZOOPHYFE-UHFFFAOYSA-N	-1	1	320.357	-1.105	20	0		DAADMM
Cc1nonc1CC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031184743	663254572	/nfs/dbraw/zinc/25/45/72/663254572.db2.gz	BZOMVVQUWDBJPP-UHFFFAOYSA-N	-1	1	307.314	-1.657	20	0		DAADMM
CNC(=O)CN1CC(NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1	ZINC001031250259	663260589	/nfs/dbraw/zinc/26/05/89/663260589.db2.gz	ZQNJCAKEZSAWIN-UHFFFAOYSA-N	-1	1	311.298	-1.944	20	0		DAADMM
COC[C@@H](C)N1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001031252621	663262171	/nfs/dbraw/zinc/26/21/71/663262171.db2.gz	KHTNOLYTQCAXJL-MRVPVSSYSA-N	-1	1	306.326	-1.134	20	0		DAADMM
COC[C@H](C)N1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001031252622	663262316	/nfs/dbraw/zinc/26/23/16/663262316.db2.gz	KHTNOLYTQCAXJL-QMMMGPOBSA-N	-1	1	306.326	-1.134	20	0		DAADMM
CO[C@H](C)CN1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001031251035	663262476	/nfs/dbraw/zinc/26/24/76/663262476.db2.gz	AVLHNYXPIKNWMO-MRVPVSSYSA-N	-1	1	306.326	-1.134	20	0		DAADMM
CNC(=O)[C@H](C)N1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001031254090	663263024	/nfs/dbraw/zinc/26/30/24/663263024.db2.gz	WSYQKOIUOXCLEE-ZETCQYMHSA-N	-1	1	319.325	-2.034	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3ccc(=O)[nH]c3)C2)nc1=O	ZINC001031342788	663284217	/nfs/dbraw/zinc/28/42/17/663284217.db2.gz	SXQJJZKWYRNPRQ-UHFFFAOYSA-N	-1	1	304.310	-1.177	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3ccc(=O)n(C)n3)C2)nc1=O	ZINC001031353414	663285756	/nfs/dbraw/zinc/28/57/56/663285756.db2.gz	BXHCZJZNDKLYOF-UHFFFAOYSA-N	-1	1	319.325	-2.184	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CN3C(=O)CNC3=O)C2)nc1=O	ZINC001031361039	663286175	/nfs/dbraw/zinc/28/61/75/663286175.db2.gz	ANDUUBCVWXIWHF-UHFFFAOYSA-N	-1	1	323.313	-3.039	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CN3C(=O)CCC3=O)C2)nc1=O	ZINC001031367245	663288096	/nfs/dbraw/zinc/28/80/96/663288096.db2.gz	QAXFZXMOOLACAV-UHFFFAOYSA-N	-1	1	322.325	-2.442	20	0		DAADMM
Cn1cc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)n(C)c1=O	ZINC001031448218	663294077	/nfs/dbraw/zinc/29/40/77/663294077.db2.gz	ZGTCCJNMNBFZHQ-UHFFFAOYSA-N	-1	1	321.341	-2.240	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@@H]3CCCN3C(N)=O)C2)nc1=O	ZINC001031481048	663295393	/nfs/dbraw/zinc/29/53/93/663295393.db2.gz	KHFSKHNPBSAMKH-VIFPVBQESA-N	-1	1	323.357	-2.048	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)C[C@@H]3CC(=O)NC3=O)C2)nc1=O	ZINC001031496342	663295812	/nfs/dbraw/zinc/29/58/12/663295812.db2.gz	VIQRUCVMHJRHFQ-SSDOTTSWSA-N	-1	1	322.325	-2.538	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)C[C@H]3CC(=O)NC3=O)C2)nc1=O	ZINC001031496343	663296332	/nfs/dbraw/zinc/29/63/32/663296332.db2.gz	VIQRUCVMHJRHFQ-ZETCQYMHSA-N	-1	1	322.325	-2.538	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)c3cnccn3)C2)nc1=O	ZINC001031522719	663297479	/nfs/dbraw/zinc/29/74/79/663297479.db2.gz	CYUCEVUVSDRUHO-UHFFFAOYSA-N	-1	1	303.326	-1.240	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)c3cnsn3)C2)nc1=O	ZINC001031562262	663299010	/nfs/dbraw/zinc/29/90/10/663299010.db2.gz	HAFNIVXPCHSYIO-UHFFFAOYSA-N	-1	1	309.355	-1.178	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@@H]3COCCO3)C2)nc1=O	ZINC001031554715	663299185	/nfs/dbraw/zinc/29/91/85/663299185.db2.gz	HMUMEBOFGOKVJQ-JTQLQIEISA-N	-1	1	311.342	-1.928	20	0		DAADMM
Cc1c(C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)nnn1C	ZINC001031592470	663301200	/nfs/dbraw/zinc/30/12/00/663301200.db2.gz	ODYYRYOYVMPKID-UHFFFAOYSA-N	-1	1	320.357	-1.593	20	0		DAADMM
Cn1cnc(C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001031648484	663305725	/nfs/dbraw/zinc/30/57/25/663305725.db2.gz	RLHLDGSHBFAQAH-UHFFFAOYSA-N	-1	1	306.330	-1.901	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@]34C[C@H]3COC4)C2)nc1=O	ZINC001031687392	663307285	/nfs/dbraw/zinc/30/72/85/663307285.db2.gz	XGTRRUWKAKRZHU-HZMBPMFUSA-N	-1	1	307.354	-1.307	20	0		DAADMM
CN1C[C@@H](C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)CC1=O	ZINC001031710231	663310718	/nfs/dbraw/zinc/31/07/18/663310718.db2.gz	YBDRFQVAMGYEPR-JTQLQIEISA-N	-1	1	322.369	-1.865	20	0		DAADMM
O=C(Cc1[nH]c(O)nc1O)NC1CN(C(=O)c2cnn[nH]2)C1	ZINC000994743939	663310960	/nfs/dbraw/zinc/31/09/60/663310960.db2.gz	JDPPHWUYOMTDKL-LURJTMIESA-N	-1	1	307.270	-2.657	20	0		DAADMM
O=C(NCC1CN(CCn2cccn2)C1)c1n[nH]c(=O)[n-]c1=O	ZINC001031815810	663352636	/nfs/dbraw/zinc/35/26/36/663352636.db2.gz	KHKNUZWFCDDDMY-UHFFFAOYSA-N	-1	1	319.325	-1.159	20	0		DAADMM
O=C(Cn1ncnn1)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1	ZINC000940612699	663377174	/nfs/dbraw/zinc/37/71/74/663377174.db2.gz	XZMYSUDIHZCSOW-SECBINFHSA-N	-1	1	317.309	-1.195	20	0		DAADMM
CN1C[C@@H](C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)NC1=O	ZINC001031901704	663377709	/nfs/dbraw/zinc/37/77/09/663377709.db2.gz	AFTCGEYZQYREOS-VIFPVBQESA-N	-1	1	323.357	-2.320	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@@H]3CCC(=O)N3C)C2)nc1=O	ZINC001031901840	663378458	/nfs/dbraw/zinc/37/84/58/663378458.db2.gz	ROMGROAOAXFHFH-JTQLQIEISA-N	-1	1	322.369	-1.723	20	0		DAADMM
Cn1nnc(C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001031904466	663379512	/nfs/dbraw/zinc/37/95/12/663379512.db2.gz	CPBJAAQYWLUNCO-UHFFFAOYSA-N	-1	1	307.318	-2.506	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)nc1=O	ZINC001031907312	663380153	/nfs/dbraw/zinc/38/01/53/663380153.db2.gz	DHYYIHLGRVRQRH-IAZYJMLFSA-N	-1	1	307.354	-1.451	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@H]2CCNC2=O)nc1=O	ZINC001038595590	663382618	/nfs/dbraw/zinc/38/26/18/663382618.db2.gz	UFQLDOHGTMZYMG-BDAKNGLRSA-N	-1	1	308.342	-2.065	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@@H]3CNC(=O)N3)C2)nc1=O	ZINC001031944852	663390052	/nfs/dbraw/zinc/39/00/52/663390052.db2.gz	GXXIQVLCAPIHJT-QMMMGPOBSA-N	-1	1	309.330	-2.662	20	0		DAADMM
NC(=O)CN1CC(N2CCN(C(=O)c3ncccc3[O-])CC2)C1	ZINC000941387354	663392091	/nfs/dbraw/zinc/39/20/91/663392091.db2.gz	ALELYBYJNOCURT-UHFFFAOYSA-N	-1	1	319.365	-1.286	20	0		DAADMM
O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1cnn[nH]1	ZINC000995170481	663403404	/nfs/dbraw/zinc/40/34/04/663403404.db2.gz	DHSIMPJGMQVZNY-UHFFFAOYSA-N	-1	1	306.242	-2.345	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(NC(=O)c2cnn[nH]2)C1	ZINC000995172477	663403699	/nfs/dbraw/zinc/40/36/99/663403699.db2.gz	CYSJWRAYRDERPB-UHFFFAOYSA-N	-1	1	308.258	-2.552	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)c2cnsn2)nc1=O	ZINC001038075076	663412944	/nfs/dbraw/zinc/41/29/44/663412944.db2.gz	FKQHZBKKTBNJJB-ZETCQYMHSA-N	-1	1	309.355	-1.036	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)c3ccnnc3)C2)nc1=O	ZINC001032004122	663416595	/nfs/dbraw/zinc/41/65/95/663416595.db2.gz	UDWNNEOHIRUJCK-UHFFFAOYSA-N	-1	1	303.326	-1.240	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)c3ncccn3)C2)nc1=O	ZINC001032065319	663432212	/nfs/dbraw/zinc/43/22/12/663432212.db2.gz	YTZNLORZAKLXSQ-UHFFFAOYSA-N	-1	1	303.326	-1.240	20	0		DAADMM
NC(=O)CN1CC(CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001032127977	663441362	/nfs/dbraw/zinc/44/13/62/663441362.db2.gz	MHKOSQBCUFCSHM-UHFFFAOYSA-N	-1	1	305.298	-2.436	20	0		DAADMM
NC(=O)C(=O)N1CCO[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC000944563721	663457577	/nfs/dbraw/zinc/45/75/77/663457577.db2.gz	HGSUKIIGLSZTID-QMMMGPOBSA-N	-1	1	308.294	-1.770	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)C2=COCCO2)nc1=O	ZINC001032262828	663475478	/nfs/dbraw/zinc/47/54/78/663475478.db2.gz	HZXKEHNLBSTMKP-UWVGGRQHSA-N	-1	1	321.337	-1.218	20	0		DAADMM
CC1(C)CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC000995759046	663481995	/nfs/dbraw/zinc/48/19/95/663481995.db2.gz	BRTYFMGWDJXUKF-HTQZYQBOSA-N	-1	1	324.341	-1.055	20	0		DAADMM
CC1(C)CN(C(=O)[C@@H]2COC(=O)N2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC000995759056	663482104	/nfs/dbraw/zinc/48/21/04/663482104.db2.gz	BRTYFMGWDJXUKF-YUMQZZPRSA-N	-1	1	324.341	-1.055	20	0		DAADMM
NC(=O)C(=O)N1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000996404980	663486121	/nfs/dbraw/zinc/48/61/21/663486121.db2.gz	IGIKVSURFYXJST-UHFFFAOYSA-N	-1	1	305.254	-3.157	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCOC2)nc1=O	ZINC001032308019	663489351	/nfs/dbraw/zinc/48/93/51/663489351.db2.gz	ZAASHBLHPIULPX-DCAQKATOSA-N	-1	1	307.354	-1.070	20	0		DAADMM
C[C@H](C(=O)N1CCO[C@H](c2nn[n-]n2)C1)N1C(=O)CCC1=O	ZINC000735526381	663497928	/nfs/dbraw/zinc/49/79/28/663497928.db2.gz	WBYUXWDVCMQFAB-SFYZADRCSA-N	-1	1	308.298	-1.363	20	0		DAADMM
C[C@@H](C(=O)N1CCO[C@H](c2nn[n-]n2)C1)N1C(=O)CCC1=O	ZINC000735526383	663497986	/nfs/dbraw/zinc/49/79/86/663497986.db2.gz	WBYUXWDVCMQFAB-YUMQZZPRSA-N	-1	1	308.298	-1.363	20	0		DAADMM
CCC[C@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)c1nn[n-]n1	ZINC000736435394	663505187	/nfs/dbraw/zinc/50/51/87/663505187.db2.gz	GYDFRFWIYKSEPG-QMMMGPOBSA-N	-1	1	307.314	-1.132	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)c2ccn[nH]2)C1	ZINC000997259221	663508781	/nfs/dbraw/zinc/50/87/81/663508781.db2.gz	AJGWODFULHSFKY-UHFFFAOYSA-N	-1	1	307.270	-1.947	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cn[nH]n2)nc1=O	ZINC001032493603	663520794	/nfs/dbraw/zinc/52/07/94/663520794.db2.gz	FSRUWOOQNRMYAI-YUMQZZPRSA-N	-1	1	304.314	-1.675	20	0		DAADMM
O=C(CCc1n[nH]c(=O)[n-]c1=O)N1C[C@@H]2C[C@H]1CN2CCO	ZINC001032495706	663520964	/nfs/dbraw/zinc/52/09/64/663520964.db2.gz	WAZCFEMAPIEEJG-IUCAKERBSA-N	-1	1	309.326	-1.507	20	0		DAADMM
Cc1n[nH]nc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[n-]1	ZINC001032555323	663526102	/nfs/dbraw/zinc/52/61/02/663526102.db2.gz	JAQDHZBPTUQSJB-IUCAKERBSA-N	-1	1	318.341	-1.366	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(NC(=O)c2nc[nH]n2)C1	ZINC000997812335	663527075	/nfs/dbraw/zinc/52/70/75/663527075.db2.gz	PKIANJNMEIEYPJ-UHFFFAOYSA-N	-1	1	308.258	-2.552	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(NC(=O)c2ncn[nH]2)C1	ZINC000997812335	663527078	/nfs/dbraw/zinc/52/70/78/663527078.db2.gz	PKIANJNMEIEYPJ-UHFFFAOYSA-N	-1	1	308.258	-2.552	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCNC2=O)nc1=O	ZINC001032559606	663527737	/nfs/dbraw/zinc/52/77/37/663527737.db2.gz	BAHJCRRSHAHUAG-GUBZILKMSA-N	-1	1	320.353	-1.970	20	0		DAADMM
O=C(NC1CN(C(=O)c2ncccc2[O-])C1)[C@H]1CNC(=O)N1	ZINC000998673214	663545833	/nfs/dbraw/zinc/54/58/33/663545833.db2.gz	IHZAKTLEULGODS-MRVPVSSYSA-N	-1	1	305.294	-1.591	20	0		DAADMM
CN1CCOC[C@H]1C(=O)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000998967221	663554211	/nfs/dbraw/zinc/55/42/11/663554211.db2.gz	YMYKUMBAPINBIZ-MNOVXSKESA-N	-1	1	324.385	-1.079	20	0		DAADMM
O=C([C@H]1COC(=O)N1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000999055230	663554446	/nfs/dbraw/zinc/55/44/46/663554446.db2.gz	ATOSAZPQELAVBE-HTQZYQBOSA-N	-1	1	310.314	-1.301	20	0		DAADMM
CO[C@H]1COC[C@H]1S(=O)(=O)[N-]CC(=O)c1cnn(C)c1	ZINC000921679984	663558261	/nfs/dbraw/zinc/55/82/61/663558261.db2.gz	HUVUZJIWTQBZRV-WDEREUQCSA-N	-1	1	303.340	-1.064	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cccnn2)nc1=O	ZINC001032696147	663559129	/nfs/dbraw/zinc/55/91/29/663559129.db2.gz	CKDGWQOFBLYLGY-UWVGGRQHSA-N	-1	1	315.337	-1.003	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cnon2)nc1=O	ZINC001032693182	663559271	/nfs/dbraw/zinc/55/92/71/663559271.db2.gz	UAUQYDIZCXFELI-YUMQZZPRSA-N	-1	1	305.298	-1.410	20	0		DAADMM
O=C(Cn1nccn1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000999269377	663560169	/nfs/dbraw/zinc/56/01/69/663560169.db2.gz	XZZLMVNWTYODQE-VIFPVBQESA-N	-1	1	306.330	-1.117	20	0		DAADMM
CC(=O)NCc1cn([C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC000999937763	663571005	/nfs/dbraw/zinc/57/10/05/663571005.db2.gz	JUEUXIATQXBSFP-NSHDSACASA-N	-1	1	320.357	-1.217	20	0		DAADMM
O=C(c1c[nH]c(=O)cn1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001000028883	663573950	/nfs/dbraw/zinc/57/39/50/663573950.db2.gz	VTJQVBLGJMUPAE-MRVPVSSYSA-N	-1	1	319.325	-1.012	20	0		DAADMM
O=C(Cc1ncn[nH]1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1	ZINC001032724118	663576219	/nfs/dbraw/zinc/57/62/19/663576219.db2.gz	HWKRDNRQLOUUHA-YUMQZZPRSA-N	-1	1	304.314	-1.344	20	0		DAADMM
O=C(CCn1cnnn1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001000538435	663587860	/nfs/dbraw/zinc/58/78/60/663587860.db2.gz	QERMAYFRCISWQN-VIFPVBQESA-N	-1	1	321.345	-1.332	20	0		DAADMM
O=C(NCC1CN(C(=O)[C@H]2CNC(=O)N2)C1)c1ncccc1[O-]	ZINC001001540432	663603379	/nfs/dbraw/zinc/60/33/79/663603379.db2.gz	DDZHAQWAYXFHSC-SECBINFHSA-N	-1	1	319.321	-1.343	20	0		DAADMM
CNC(=O)[C@@H](C)N1CCC(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001003250557	663627031	/nfs/dbraw/zinc/62/70/31/663627031.db2.gz	IQMBANUIAMLMFU-SSDOTTSWSA-N	-1	1	324.341	-1.389	20	0		DAADMM
Cn1[n-]c(CN2CCC(NC(=O)[C@@H]3CNC(=O)N3)CC2)nc1=O	ZINC001003533501	663630485	/nfs/dbraw/zinc/63/04/85/663630485.db2.gz	ZTLCFKYUVGPCLM-VIFPVBQESA-N	-1	1	323.357	-2.130	20	0		DAADMM
CN(C(=O)Cn1cnnn1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001032896446	663640529	/nfs/dbraw/zinc/64/05/29/663640529.db2.gz	HSVQNFLDFSWOIA-SECBINFHSA-N	-1	1	321.345	-2.172	20	0		DAADMM
O=C(NCC1CN(C(=O)c2ncccc2[O-])C1)[C@@H]1CNC(=O)N1	ZINC001003955204	663642155	/nfs/dbraw/zinc/64/21/55/663642155.db2.gz	NYZLKPKCVVHNLC-VIFPVBQESA-N	-1	1	319.321	-1.343	20	0		DAADMM
NC(=O)CN1CCC(NC(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC001003962034	663643854	/nfs/dbraw/zinc/64/38/54/663643854.db2.gz	OTDLHTVVAABEKH-UHFFFAOYSA-N	-1	1	319.325	-1.903	20	0		DAADMM
CN(C(=O)Cn1nccn1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033119036	663649841	/nfs/dbraw/zinc/64/98/41/663649841.db2.gz	JVYMQIMZWDIXHQ-JTQLQIEISA-N	-1	1	320.357	-1.567	20	0		DAADMM
CN(C(=O)[C@@H]1CCNC1=O)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033321124	663657802	/nfs/dbraw/zinc/65/78/02/663657802.db2.gz	IVJRQMATJVYBLF-VHSXEESVSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033381724	663659862	/nfs/dbraw/zinc/65/98/62/663659862.db2.gz	YMPPCRVFSIYFGV-DTWKUNHWSA-N	-1	1	323.357	-2.178	20	0		DAADMM
CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033381813	663659886	/nfs/dbraw/zinc/65/98/86/663659886.db2.gz	YMPPCRVFSIYFGV-IUCAKERBSA-N	-1	1	323.357	-2.178	20	0		DAADMM
CN(C(=O)c1cnn(C)n1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033505006	663662203	/nfs/dbraw/zinc/66/22/03/663662203.db2.gz	NGTLYUQPFFUAQG-VIFPVBQESA-N	-1	1	320.357	-1.417	20	0		DAADMM
CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033597639	663664232	/nfs/dbraw/zinc/66/42/32/663664232.db2.gz	ZCRLNHCOXHBZMO-UWVGGRQHSA-N	-1	1	322.369	-1.580	20	0		DAADMM
CCN(C(=O)c1cn[nH]n1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033886740	663668268	/nfs/dbraw/zinc/66/82/68/663668268.db2.gz	CJISRJBLHJFQPT-SECBINFHSA-N	-1	1	320.357	-1.037	20	0		DAADMM
O=C(Cc1nnc[nH]1)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001035097764	663677759	/nfs/dbraw/zinc/67/77/59/663677759.db2.gz	CWDYTBJCIGMLHR-MRVPVSSYSA-N	-1	1	306.330	-1.048	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@@H](CNC(=O)c3cn[nH]c3)C2)nc1=O	ZINC001035298389	663678562	/nfs/dbraw/zinc/67/85/62/663678562.db2.gz	JILGXHNKVVEUDL-JTQLQIEISA-N	-1	1	321.341	-1.538	20	0		DAADMM
CN1CCC[C@H]1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001035314264	663678877	/nfs/dbraw/zinc/67/88/77/663678877.db2.gz	VNPKQYDKUXPLBW-QWRGUYRKSA-N	-1	1	324.385	-1.079	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@@H](CNC(=O)c3cocn3)C2)nc1=O	ZINC001035310585	663678894	/nfs/dbraw/zinc/67/88/94/663678894.db2.gz	RQDBUAMZGYUUHL-VIFPVBQESA-N	-1	1	322.325	-1.273	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@H](CNC(=O)c3ncc[nH]3)C2)nc1=O	ZINC001035363566	663680736	/nfs/dbraw/zinc/68/07/36/663680736.db2.gz	KBRLDFRMRPXZHG-SECBINFHSA-N	-1	1	321.341	-1.538	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@H](CNC(=O)c3cnco3)C2)nc1=O	ZINC001035464497	663684529	/nfs/dbraw/zinc/68/45/29/663684529.db2.gz	AIFNXMIYYRBDRW-SECBINFHSA-N	-1	1	322.325	-1.273	20	0		DAADMM
CCN1CCO[C@@H](CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001035576217	663687781	/nfs/dbraw/zinc/68/77/81/663687781.db2.gz	IYOVBUULTSLNAJ-VIFPVBQESA-N	-1	1	306.326	-1.132	20	0		DAADMM
O=C(NC[C@H]1CN(CCF)CCO1)c1cc(=O)n2[n-]cnc2n1	ZINC001035578149	663687814	/nfs/dbraw/zinc/68/78/14/663687814.db2.gz	UWOMTHBOMDGIEJ-VIFPVBQESA-N	-1	1	324.316	-1.182	20	0		DAADMM
O=C(NC[C@@H]1CN(CCF)CCO1)c1cc(=O)n2[n-]cnc2n1	ZINC001035578147	663687928	/nfs/dbraw/zinc/68/79/28/663687928.db2.gz	UWOMTHBOMDGIEJ-SECBINFHSA-N	-1	1	324.316	-1.182	20	0		DAADMM
NC(=O)CC(=O)N1CC[C@@H]2[C@@H](CCN2Cc2n[nH]c(=O)[n-]2)C1	ZINC001036673420	663693999	/nfs/dbraw/zinc/69/39/99/663693999.db2.gz	PMYAYMNYCSYLPN-DTWKUNHWSA-N	-1	1	308.342	-1.192	20	0		DAADMM
O=C(CCN1C(=O)CCC1=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC000738301679	663793005	/nfs/dbraw/zinc/79/30/05/663793005.db2.gz	RIFNZUDCHKSWMP-MRVPVSSYSA-N	-1	1	308.298	-1.361	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NC[C@@H](O)COCC1CC1	ZINC000748413576	663800635	/nfs/dbraw/zinc/80/06/35/663800635.db2.gz	WSXUAYNTAWSIFI-LLVKDONJSA-N	-1	1	311.338	-1.170	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)NC(=O)NC)co1	ZINC000756407126	663806262	/nfs/dbraw/zinc/80/62/62/663806262.db2.gz	YNCQBLAFNRFAQX-UHFFFAOYSA-N	-1	1	319.295	-1.200	20	0		DAADMM
CNC(=O)[C@H](O)C[N-]S(=O)(=O)c1cc(C(=O)OC)co1	ZINC000757725663	663806807	/nfs/dbraw/zinc/80/68/07/663806807.db2.gz	KKYDGZYXIBSIBG-SSDOTTSWSA-N	-1	1	306.296	-1.549	20	0		DAADMM
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000765971617	663812837	/nfs/dbraw/zinc/81/28/37/663812837.db2.gz	AEQZHNVZPYDZNU-ZJUUUORDSA-N	-1	1	308.338	-1.042	20	0		DAADMM
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000765971614	663812982	/nfs/dbraw/zinc/81/29/82/663812982.db2.gz	AEQZHNVZPYDZNU-UWVGGRQHSA-N	-1	1	308.338	-1.042	20	0		DAADMM
CNC(=O)[C@H]1CCC[C@H]1NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000765971616	663813206	/nfs/dbraw/zinc/81/32/06/663813206.db2.gz	AEQZHNVZPYDZNU-VHSXEESVSA-N	-1	1	308.338	-1.042	20	0		DAADMM
NC(=O)CO[N-]C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000772939120	663819434	/nfs/dbraw/zinc/81/94/34/663819434.db2.gz	DBEDQOFCZACMLZ-JTQLQIEISA-N	-1	1	314.342	-2.300	20	0		DAADMM
NC(=O)CO[N-]C(=O)C1=CC=CN2CCS(=O)(=O)N=C12	ZINC000772931418	663819494	/nfs/dbraw/zinc/81/94/94/663819494.db2.gz	KNHNUKOBTJFSHP-UHFFFAOYSA-N	-1	1	300.296	-1.983	20	0		DAADMM
O=C(C1=NN(CCO)C(=O)CC1)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000775546548	663821519	/nfs/dbraw/zinc/82/15/19/663821519.db2.gz	SELRQAPVLHHSIF-SECBINFHSA-N	-1	1	321.341	-1.124	20	0		DAADMM
O=C([N-]OCCO)[C@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000787291631	663830233	/nfs/dbraw/zinc/83/02/33/663830233.db2.gz	CCVGJDNIRLHRHL-NSHDSACASA-N	-1	1	301.343	-1.793	20	0		DAADMM
C[C@H](NS(C)(=O)=O)C(=O)N1CCSC[C@H]1c1nn[n-]n1	ZINC000789924508	663832783	/nfs/dbraw/zinc/83/27/83/663832783.db2.gz	YHUDXKKRKAFOAY-BQBZGAKWSA-N	-1	1	320.400	-1.246	20	0		DAADMM
C[C@H](NS(C)(=O)=O)C(=O)N1CCSC[C@@H]1c1nn[n-]n1	ZINC000789924509	663832943	/nfs/dbraw/zinc/83/29/43/663832943.db2.gz	YHUDXKKRKAFOAY-NKWVEPMBSA-N	-1	1	320.400	-1.246	20	0		DAADMM
CSCCO[N-]C(=O)C(=O)NC[C@@H]1CN(C)CCN1C	ZINC000806059882	663836861	/nfs/dbraw/zinc/83/68/61/663836861.db2.gz	QRVBFBAAZMCINI-SNVBAGLBSA-N	-1	1	304.416	-1.241	20	0		DAADMM
Cc1nnc(SCC(=O)NCCC(=O)[N-]S(C)(=O)=O)[nH]1	ZINC000800552267	663840579	/nfs/dbraw/zinc/84/05/79/663840579.db2.gz	QICKVNBQKYRFRG-UHFFFAOYSA-N	-1	1	321.384	-1.213	20	0		DAADMM
Cc1n[nH]c(SCC(=O)NCCC(=O)[N-]S(C)(=O)=O)n1	ZINC000800552267	663840581	/nfs/dbraw/zinc/84/05/81/663840581.db2.gz	QICKVNBQKYRFRG-UHFFFAOYSA-N	-1	1	321.384	-1.213	20	0		DAADMM
C[C@H](CN1CCOCC1)C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC000800553450	663840689	/nfs/dbraw/zinc/84/06/89/663840689.db2.gz	OKNFQFFNUFKCDE-SNVBAGLBSA-N	-1	1	321.399	-1.463	20	0		DAADMM
COCCN1CN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1=O	ZINC000801590761	663840878	/nfs/dbraw/zinc/84/08/78/663840878.db2.gz	YAFOEMLWRLOSHH-UHFFFAOYSA-N	-1	1	310.310	-1.799	20	0		DAADMM
NC(=O)CN1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@@H]21	ZINC001036762829	663841974	/nfs/dbraw/zinc/84/19/74/663841974.db2.gz	POMNKUDARKCIJC-SFYZADRCSA-N	-1	1	322.325	-1.696	20	0		DAADMM
COCCO[N-]C(=O)C(=O)NC[C@H]1CCCN1CCOC	ZINC000804353179	663844952	/nfs/dbraw/zinc/84/49/52/663844952.db2.gz	VWSHNQRIGDGJKH-LLVKDONJSA-N	-1	1	303.359	-1.092	20	0		DAADMM
COC[C@@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCC1)C(N)=O	ZINC000812503845	663850019	/nfs/dbraw/zinc/85/00/19/663850019.db2.gz	CLYBZCLVJRTYDE-MRVPVSSYSA-N	-1	1	308.356	-1.251	20	0		DAADMM
CCS(=O)(=O)NCC[N-]S(=O)(=O)N=S(C)(C)=O	ZINC000820790821	663858559	/nfs/dbraw/zinc/85/85/59/663858559.db2.gz	XQVGZIKAGRBABN-UHFFFAOYSA-N	-1	1	307.419	-1.512	20	0		DAADMM
CCC[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)OC	ZINC000825241913	663863771	/nfs/dbraw/zinc/86/37/71/663863771.db2.gz	DHKOYBNBUDEGEW-ZETCQYMHSA-N	-1	1	308.302	-1.084	20	0		DAADMM
CCOC(=O)c1cnn(CCS(N)(=O)=O)c1-c1nn[n-]n1	ZINC000825570278	663864620	/nfs/dbraw/zinc/86/46/20/663864620.db2.gz	HETQSQAFCLHWHO-UHFFFAOYSA-N	-1	1	315.315	-1.472	20	0		DAADMM
CS[C@@H](CO)[C@@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000826225824	663866268	/nfs/dbraw/zinc/86/62/68/663866268.db2.gz	LTBFYENHGQROSZ-RQJHMYQMSA-N	-1	1	312.359	-1.313	20	0		DAADMM
C[C@H](CC(=O)[O-])N1CCN(C(=O)CN2CC(=O)NC2=O)CC1	ZINC000827361907	663867841	/nfs/dbraw/zinc/86/78/41/663867841.db2.gz	HDRMLEKOMIINFP-SECBINFHSA-N	-1	1	312.326	-1.454	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)N1CCN(C)C[C@@H](C(=O)OC)C1	ZINC000845536048	663883662	/nfs/dbraw/zinc/88/36/62/663883662.db2.gz	ZZYHMAGDHXVEGR-SNVBAGLBSA-N	-1	1	316.358	-1.200	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)N[C@@H](C)CN1CCN(C)CC1	ZINC000845547552	663884502	/nfs/dbraw/zinc/88/45/02/663884502.db2.gz	RRMLAMXFJYWCEX-NSHDSACASA-N	-1	1	301.391	-1.011	20	0		DAADMM
COC(=O)CNC(=O)C[N-]S(=O)(=O)c1c[nH]nc1Cl	ZINC000848453287	663891640	/nfs/dbraw/zinc/89/16/40/663891640.db2.gz	HCAPOPLNTHXRAO-UHFFFAOYSA-N	-1	1	310.719	-1.369	20	0		DAADMM
Cn1cnc(S(=O)(=O)[N-][C@]2(C(N)=O)CCOC2)c1Cl	ZINC000848502886	663892121	/nfs/dbraw/zinc/89/21/21/663892121.db2.gz	YQWRVNBGZRTNJV-SECBINFHSA-N	-1	1	308.747	-1.004	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]Cc2ncccn2)c(=O)n(C)c1=O	ZINC000851816514	663897071	/nfs/dbraw/zinc/89/70/71/663897071.db2.gz	HWSSBTYJURDTJO-UHFFFAOYSA-N	-1	1	311.323	-1.648	20	0		DAADMM
CNC(=O)[C@@H](O)C[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1	ZINC000851784931	663897296	/nfs/dbraw/zinc/89/72/96/663897296.db2.gz	XMQKGUZJBYLDGR-ZETCQYMHSA-N	-1	1	320.323	-1.240	20	0		DAADMM
CO[C@]1(CO)CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC000855442390	663906086	/nfs/dbraw/zinc/90/60/86/663906086.db2.gz	SCFHLVSFUPQXQF-CQSZACIVSA-N	-1	1	311.338	-1.073	20	0		DAADMM
COC(=O)c1cnn(CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1	ZINC000859278336	663911232	/nfs/dbraw/zinc/91/12/32/663911232.db2.gz	PGQRIJKHSWCFHD-VIFPVBQESA-N	-1	1	321.297	-1.217	20	0		DAADMM
O=C(/C=C/CN1CCOCC1)N1CCO[C@H](c2nn[n-]n2)C1	ZINC000865596198	663930567	/nfs/dbraw/zinc/93/05/67/663930567.db2.gz	VKGCQLKKIJGNEN-GXFZAYBSSA-N	-1	1	308.342	-1.012	20	0		DAADMM
O=C(N1CCO[C@H](c2nn[n-]n2)C1)C1(N2CCOCC2)CC1	ZINC000865595422	663930636	/nfs/dbraw/zinc/93/06/36/663930636.db2.gz	JSYLUQVHMVRKMA-JTQLQIEISA-N	-1	1	308.342	-1.036	20	0		DAADMM
CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CCCN(CC(N)=O)CC1	ZINC000948590918	664019068	/nfs/dbraw/zinc/01/90/68/664019068.db2.gz	PJHLDJIHZWYDNJ-QMMMGPOBSA-N	-1	1	324.341	-1.305	20	0		DAADMM
Cn1nnc(C(=O)N2CC[C@H]2CNC(=O)c2ncccc2[O-])n1	ZINC000949541171	664037644	/nfs/dbraw/zinc/03/76/44/664037644.db2.gz	BLXHINORXOSEGH-QMMMGPOBSA-N	-1	1	317.309	-1.045	20	0		DAADMM
Cc1n[nH]nc1C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC000949599630	664038728	/nfs/dbraw/zinc/03/87/28/664038728.db2.gz	ROFNUNOFHBQXNA-UHFFFAOYSA-N	-1	1	306.330	-1.507	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)nc1=O	ZINC000949912049	664048008	/nfs/dbraw/zinc/04/80/08/664048008.db2.gz	MNDXMJQXJNOLCB-UHFFFAOYSA-N	-1	1	319.325	-1.850	20	0		DAADMM
CCN(C(=O)c1cnnn1C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000949994979	664050002	/nfs/dbraw/zinc/05/00/02/664050002.db2.gz	GKGMACQMCBESBW-UHFFFAOYSA-N	-1	1	320.357	-1.417	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@]3(C)CCNC3=O)CC2)nc1=O	ZINC000950466872	664056591	/nfs/dbraw/zinc/05/65/91/664056591.db2.gz	MTTRXLDIAZJCIZ-CQSZACIVSA-N	-1	1	322.369	-1.721	20	0		DAADMM
O=C(NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)c1cnn[nH]1	ZINC000950995412	664067502	/nfs/dbraw/zinc/06/75/02/664067502.db2.gz	QBOWZFSBZTYLRO-RXMQYKEDSA-N	-1	1	320.269	-1.955	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]1CNC(=O)c1cnn[nH]1	ZINC000950995238	664067659	/nfs/dbraw/zinc/06/76/59/664067659.db2.gz	LUBVRUMOZFWARA-LURJTMIESA-N	-1	1	322.285	-2.162	20	0		DAADMM
O=C(NC[C@H]1CCN1C(=O)c1ccn[nH]1)c1n[nH]c(=O)[n-]c1=O	ZINC000951297820	664074444	/nfs/dbraw/zinc/07/44/44/664074444.db2.gz	KMJRPGYYLQRDBD-ZCFIWIBFSA-N	-1	1	319.281	-1.350	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H]1CNC(=O)c1nc[nH]n1	ZINC000951586539	664085570	/nfs/dbraw/zinc/08/55/70/664085570.db2.gz	HMWNRMWBSIXNNU-ZCFIWIBFSA-N	-1	1	322.285	-2.162	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H]1CNC(=O)c1ncn[nH]1	ZINC000951586539	664085573	/nfs/dbraw/zinc/08/55/73/664085573.db2.gz	HMWNRMWBSIXNNU-ZCFIWIBFSA-N	-1	1	322.285	-2.162	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)nc1=O	ZINC000951722191	664092363	/nfs/dbraw/zinc/09/23/63/664092363.db2.gz	OLJHWIQLLPAILT-JTQLQIEISA-N	-1	1	322.369	-1.579	20	0		DAADMM
O=C(NC[C@@H]1CCN1C(=O)c1ncccc1[O-])[C@H]1CNC(=O)N1	ZINC000951878269	664101885	/nfs/dbraw/zinc/10/18/85/664101885.db2.gz	NHVPEOQCGKUNTH-DTWKUNHWSA-N	-1	1	319.321	-1.201	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)Cc3ncc[nH]3)CC2)nc1=O	ZINC000952401629	664110201	/nfs/dbraw/zinc/11/02/01/664110201.db2.gz	ZEOSNJTZPRSYGM-UHFFFAOYSA-N	-1	1	305.342	-1.282	20	0		DAADMM
CCN(C(=O)c1cnn(C)n1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000953836406	664126413	/nfs/dbraw/zinc/12/64/13/664126413.db2.gz	LGRGBRPFOVYBNF-UHFFFAOYSA-N	-1	1	320.357	-1.417	20	0		DAADMM
CN(C(=O)c1cnc(C2CC2)[n-]c1=O)C1CN(C(=O)C(N)=O)C1	ZINC000954306193	664142823	/nfs/dbraw/zinc/14/28/23/664142823.db2.gz	LUJJVFVOIGUZFD-UHFFFAOYSA-N	-1	1	319.321	-1.172	20	0		DAADMM
CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)c2ccn[nH]2)C1	ZINC000954876999	664159048	/nfs/dbraw/zinc/15/90/48/664159048.db2.gz	JIHUUEGOEGGEKU-UHFFFAOYSA-N	-1	1	319.281	-1.398	20	0		DAADMM
CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(C(=O)c2ccn[nH]2)C1	ZINC000954934068	664159952	/nfs/dbraw/zinc/15/99/52/664159952.db2.gz	RIFGGAQDOITZTM-UHFFFAOYSA-N	-1	1	321.297	-1.605	20	0		DAADMM
CN(C(=O)C(N)=O)C1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC000955161040	664176996	/nfs/dbraw/zinc/17/69/96/664176996.db2.gz	ZWBMDTFMCYXFOA-UHFFFAOYSA-N	-1	1	323.309	-2.919	20	0		DAADMM
CCN(C(=O)c1cc(=O)n2[n-]cnc2n1)C1CN(CC(N)=O)C1	ZINC000957134326	664205805	/nfs/dbraw/zinc/20/58/05/664205805.db2.gz	HEFAZXQNWVFPGG-UHFFFAOYSA-N	-1	1	319.325	-1.951	20	0		DAADMM
C[C@H](O)CN1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC000957314352	664209857	/nfs/dbraw/zinc/20/98/57/664209857.db2.gz	AVOMOASOXPEKSZ-VIFPVBQESA-N	-1	1	306.326	-1.444	20	0		DAADMM
NC(=O)CN1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC000957314620	664209891	/nfs/dbraw/zinc/20/98/91/664209891.db2.gz	MKHVBROLZSPQET-UHFFFAOYSA-N	-1	1	305.298	-2.339	20	0		DAADMM
Cn1ccc(C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)n1	ZINC000957654869	664216585	/nfs/dbraw/zinc/21/65/85/664216585.db2.gz	FZVQRFNKBLEVSP-UHFFFAOYSA-N	-1	1	305.342	-1.200	20	0		DAADMM
Cn1[n-]c(CN2C[C@H](O)[C@H](CNC(=O)c3cocn3)C2)nc1=O	ZINC000957926013	664226296	/nfs/dbraw/zinc/22/62/96/664226296.db2.gz	JVHSQWNPPZSHKM-SCZZXKLOSA-N	-1	1	322.325	-1.681	20	0		DAADMM
CNC(=O)CN1C[C@H](O)[C@H](CNC(=O)c2ncccc2[O-])C1	ZINC000957992556	664228944	/nfs/dbraw/zinc/22/89/44/664228944.db2.gz	XRZAERHUIMOUIV-KOLCDFICSA-N	-1	1	308.338	-1.444	20	0		DAADMM
O=C(NC[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cnn[n-]1	ZINC000958207162	664247157	/nfs/dbraw/zinc/24/71/57/664247157.db2.gz	SKXIOTRZWLRHJQ-SVRRBLITSA-N	-1	1	308.302	-2.149	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2COCCO2)nc1=O	ZINC000958269218	664251656	/nfs/dbraw/zinc/25/16/56/664251656.db2.gz	SSOWQDJKMZPONY-KLBPJQLPSA-N	-1	1	323.353	-1.930	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccon2)nc1=O	ZINC000958285436	664252658	/nfs/dbraw/zinc/25/26/58/664252658.db2.gz	PBTNVEUMQUXKEN-VROVMSAKSA-N	-1	1	304.310	-1.043	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn[nH]c2)nc1=O	ZINC000958311282	664255103	/nfs/dbraw/zinc/25/51/03/664255103.db2.gz	LOIHFALVVQLBQA-JZYVYDRUSA-N	-1	1	303.326	-1.308	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@@H](CNC(=O)c3cnon3)C2)nc1=O	ZINC000958510958	664275401	/nfs/dbraw/zinc/27/54/01/664275401.db2.gz	CLMBFYINIKOGFQ-IONNQARKSA-N	-1	1	323.313	-2.286	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2COC(=O)N2)nc1=O	ZINC000958746785	664291016	/nfs/dbraw/zinc/29/10/16/664291016.db2.gz	KNDDZTLCXKHPOA-PYHGXSLLSA-N	-1	1	322.325	-2.237	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ncc[nH]2)nc1=O	ZINC000958810081	664293944	/nfs/dbraw/zinc/29/39/44/664293944.db2.gz	ZAZAEOWMMKXFAU-MBTKJCJQSA-N	-1	1	303.326	-1.308	20	0		DAADMM
CN(C(=O)c1ncccc1[O-])[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O	ZINC000958830462	664295149	/nfs/dbraw/zinc/29/51/49/664295149.db2.gz	VLZMUWJNFJMZHR-WPRPVWTQSA-N	-1	1	322.321	-1.694	20	0		DAADMM
O=C(Cn1cnnn1)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC000959865611	664312309	/nfs/dbraw/zinc/31/23/09/664312309.db2.gz	LSKFNQWHYMLGNT-VIFPVBQESA-N	-1	1	321.345	-1.332	20	0		DAADMM
CC[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000960809660	664324762	/nfs/dbraw/zinc/32/47/62/664324762.db2.gz	OBDKFZRIIRSHOO-CWKFCGSDSA-N	-1	1	322.325	-1.793	20	0		DAADMM
CNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000960810296	664324881	/nfs/dbraw/zinc/32/48/81/664324881.db2.gz	QIOLAXATXMVAKY-NGJRWZKOSA-N	-1	1	322.325	-1.923	20	0		DAADMM
CNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000960810298	664324988	/nfs/dbraw/zinc/32/49/88/664324988.db2.gz	QIOLAXATXMVAKY-RULNZFCNSA-N	-1	1	322.325	-1.923	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(N)=O)nc1=O	ZINC000961800765	664357420	/nfs/dbraw/zinc/35/74/20/664357420.db2.gz	HBTWKANKULNACD-BIIVNPBRSA-N	-1	1	320.353	-2.224	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccnnc2)nc1=O	ZINC000961887109	664359843	/nfs/dbraw/zinc/35/98/43/664359843.db2.gz	PGWDWTJBLIXQSG-IAZYJMLFSA-N	-1	1	315.337	-1.241	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cccnn2)nc1=O	ZINC000962112013	664367846	/nfs/dbraw/zinc/36/78/46/664367846.db2.gz	PGGQBZXYWGBGAW-GDGBQDQQSA-N	-1	1	315.337	-1.241	20	0		DAADMM
NC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)c1ncccc1[O-]	ZINC000964159822	664402592	/nfs/dbraw/zinc/40/25/92/664402592.db2.gz	SXMBAUYCVLKNAT-VIFPVBQESA-N	-1	1	322.321	-1.380	20	0		DAADMM
NC(=O)C(=O)N1CCOC2(CN(C(=O)c3ncccc3[O-])C2)C1	ZINC000965460830	664422932	/nfs/dbraw/zinc/42/29/32/664422932.db2.gz	COQBUGWGPCZFHK-UHFFFAOYSA-N	-1	1	320.305	-1.674	20	0		DAADMM
O=C(CCn1cncn1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000967155621	664456157	/nfs/dbraw/zinc/45/61/57/664456157.db2.gz	KRGUGIJSKBBLIJ-SECBINFHSA-N	-1	1	306.330	-1.117	20	0		DAADMM
O=C(CCn1ccnn1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000968514537	664479894	/nfs/dbraw/zinc/47/98/94/664479894.db2.gz	TVNCUPZRAHMBIC-SECBINFHSA-N	-1	1	306.330	-1.117	20	0		DAADMM
CC(C)(C)C(=O)C(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1	ZINC000968694193	664482706	/nfs/dbraw/zinc/48/27/06/664482706.db2.gz	BBPKVTMDYDTNBP-BDAKNGLRSA-N	-1	1	309.326	-1.279	20	0		DAADMM
Cn1cc(C(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)nn1	ZINC000968694210	664482729	/nfs/dbraw/zinc/48/27/29/664482729.db2.gz	BRXVKKAYWRZSFV-APPZFPTMSA-N	-1	1	306.286	-2.452	20	0		DAADMM
CN1C[C@@H](C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)CC1=O	ZINC000968844858	664487100	/nfs/dbraw/zinc/48/71/00/664487100.db2.gz	IXFFUVDOAXOCSR-DTWKUNHWSA-N	-1	1	308.342	-1.321	20	0		DAADMM
O=C([C@H]1CCCNC1=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000968994506	664489456	/nfs/dbraw/zinc/48/94/56/664489456.db2.gz	MQNNGVJHARQZAR-BDAKNGLRSA-N	-1	1	308.342	-1.273	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(C)=O)C[C@@H]1O	ZINC000969054350	664489810	/nfs/dbraw/zinc/48/98/10/664489810.db2.gz	NHJNYUDDVULABN-RQJHMYQMSA-N	-1	1	312.282	-1.782	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)nc1=O	ZINC001006920865	664493470	/nfs/dbraw/zinc/49/34/70/664493470.db2.gz	RUFUZGNYPAZFPG-VHSXEESVSA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)nc1=O	ZINC001008548935	664503351	/nfs/dbraw/zinc/50/33/51/664503351.db2.gz	XCTIAHXFKYDUEN-BBBLOLIVSA-N	-1	1	322.369	-1.690	20	0		DAADMM
CC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(=O)n4[n-]cnc4n3)[C@@H]2C1	ZINC001009281928	664506641	/nfs/dbraw/zinc/50/66/41/664506641.db2.gz	VHNOBZDPKONRBS-OWUUHHOZSA-N	-1	1	316.321	-1.128	20	0		DAADMM
C[C@H](NC(=O)c1ncccc1[O-])[C@H]1CN(C(=O)C(N)=O)CCO1	ZINC001009750388	664511273	/nfs/dbraw/zinc/51/12/73/664511273.db2.gz	WBEUNQRYBPBZAE-WCBMZHEXSA-N	-1	1	322.321	-1.382	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)C3=COCCO3)C2)nc1=O	ZINC001010001914	664511966	/nfs/dbraw/zinc/51/19/66/664511966.db2.gz	YEEUVXJGTKRPBB-VIFPVBQESA-N	-1	1	309.326	-1.313	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@H]3COCCO3)C2)nc1=O	ZINC001010258379	664513969	/nfs/dbraw/zinc/51/39/69/664513969.db2.gz	SXLJWVKEHLKRRD-VHSXEESVSA-N	-1	1	311.342	-1.786	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)nc1=O	ZINC001010258377	664514057	/nfs/dbraw/zinc/51/40/57/664514057.db2.gz	SXLJWVKEHLKRRD-UWVGGRQHSA-N	-1	1	311.342	-1.786	20	0		DAADMM
Cn1cc(CC(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC001010364832	664514930	/nfs/dbraw/zinc/51/49/30/664514930.db2.gz	NSHFJGSICSPJPX-LLVKDONJSA-N	-1	1	319.369	-1.225	20	0		DAADMM
C[C@@H](C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1)n1cncn1	ZINC001010684417	664517435	/nfs/dbraw/zinc/51/74/35/664517435.db2.gz	SWYCRFXJCAQPDA-UWVGGRQHSA-N	-1	1	320.357	-1.348	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)nc1=O	ZINC001010843028	664520757	/nfs/dbraw/zinc/52/07/57/664520757.db2.gz	QJMTWEJSNVCVST-SFYZADRCSA-N	-1	1	310.314	-2.093	20	0		DAADMM
Cn1nnc(C(=O)N2CCN(C(=O)c3ncccc3[O-])CC2)n1	ZINC001011036906	664524225	/nfs/dbraw/zinc/52/42/25/664524225.db2.gz	ZSRSTVWFXANYJV-UHFFFAOYSA-N	-1	1	317.309	-1.091	20	0		DAADMM
CN1CC[C@H](C(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)C1=O	ZINC001038628298	664546894	/nfs/dbraw/zinc/54/68/94/664546894.db2.gz	LZVPWYHFSDDJCC-NXEZZACHSA-N	-1	1	322.369	-1.723	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@H]2CCC(=O)N2C)nc1=O	ZINC001038631622	664549811	/nfs/dbraw/zinc/54/98/11/664549811.db2.gz	LVDVMLTWUUTNFH-NXEZZACHSA-N	-1	1	322.369	-1.580	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)nc1=O	ZINC001014506088	664555568	/nfs/dbraw/zinc/55/55/68/664555568.db2.gz	SCZAHGVUQUNXAT-BHDSKKPTSA-N	-1	1	307.354	-1.165	20	0		DAADMM
CN1C[C@@H](C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)CC1=O	ZINC001014618665	664556414	/nfs/dbraw/zinc/55/64/14/664556414.db2.gz	RYPHADFBOBFAHC-UWVGGRQHSA-N	-1	1	322.369	-1.723	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)nc1=O	ZINC001014711467	664556939	/nfs/dbraw/zinc/55/69/39/664556939.db2.gz	NXGTVOUYNRYPPD-VHSXEESVSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@H]3CCCC(=O)N3)C2)nc1=O	ZINC001014859662	664558031	/nfs/dbraw/zinc/55/80/31/664558031.db2.gz	IOOSVTDHUHSOIU-VHSXEESVSA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001014835445	664558061	/nfs/dbraw/zinc/55/80/61/664558061.db2.gz	YIPIDTFZBHEVOZ-MRVPVSSYSA-N	-1	1	321.341	-1.150	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)nc1=O	ZINC001014813003	664558174	/nfs/dbraw/zinc/55/81/74/664558174.db2.gz	XIZTYDRHWJJMMS-VHSXEESVSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)nc1=O	ZINC001015040293	664559565	/nfs/dbraw/zinc/55/95/65/664559565.db2.gz	ARBBWSNZOSTVDS-NXEZZACHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
O=C(N[C@H]1CCN(CCn2cncn2)C1)c1n[nH]c(=O)[n-]c1=O	ZINC001015120739	664561021	/nfs/dbraw/zinc/56/10/21/664561021.db2.gz	RKLQTNQLAAPZTP-QMMMGPOBSA-N	-1	1	320.313	-1.621	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@]3(C)CNC(=O)C3)C2)nc1=O	ZINC001015380005	664562953	/nfs/dbraw/zinc/56/29/53/664562953.db2.gz	ZFAZFSHDTNRXFW-OTYXRUKQSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)nc1=O	ZINC001015504333	664563418	/nfs/dbraw/zinc/56/34/18/664563418.db2.gz	ORQKGIGBFQACJY-DTWKUNHWSA-N	-1	1	308.342	-2.065	20	0		DAADMM
CN1C[C@H](C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)NC1=O	ZINC001015513999	664564395	/nfs/dbraw/zinc/56/43/95/664564395.db2.gz	NZAUIEBPBWZCSM-DTWKUNHWSA-N	-1	1	323.357	-2.178	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3C)C2)nc1=O	ZINC001015533877	664564537	/nfs/dbraw/zinc/56/45/37/664564537.db2.gz	ZSCGLUQUHCXKIM-UWVGGRQHSA-N	-1	1	322.369	-1.580	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)nc1=O	ZINC001015625473	664565978	/nfs/dbraw/zinc/56/59/78/664565978.db2.gz	ABDGZWAWTGAYTI-QMMMGPOBSA-N	-1	1	319.325	-1.804	20	0		DAADMM
Cn1cc(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)[nH]c1=O	ZINC001015656980	664566558	/nfs/dbraw/zinc/56/65/58/664566558.db2.gz	GWKSQHBIJIWATI-MRVPVSSYSA-N	-1	1	321.341	-1.448	20	0		DAADMM
Cn1ncc(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001015844744	664568914	/nfs/dbraw/zinc/56/89/14/664568914.db2.gz	LKGNRWVCWFUFAP-QMMMGPOBSA-N	-1	1	306.330	-1.759	20	0		DAADMM
C[C@@H](O)CN1CC[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001015865153	664568985	/nfs/dbraw/zinc/56/89/85/664568985.db2.gz	RIOMQRSZGBTHIY-ZJUUUORDSA-N	-1	1	320.353	-1.358	20	0		DAADMM
CCn1cc(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001015916653	664570113	/nfs/dbraw/zinc/57/01/13/664570113.db2.gz	OOAMDQRKTGXRDW-SECBINFHSA-N	-1	1	320.357	-1.276	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)Cc3nc[nH]n3)C2)nc1=O	ZINC001015967999	664570119	/nfs/dbraw/zinc/57/01/19/664570119.db2.gz	OVVQMPVZEUGMME-MRVPVSSYSA-N	-1	1	306.330	-1.840	20	0		DAADMM
Cc1nc(CN2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n[nH]1	ZINC001016110995	664571078	/nfs/dbraw/zinc/57/10/78/664571078.db2.gz	NTRUWBRVEVOWQZ-QMMMGPOBSA-N	-1	1	322.329	-1.493	20	0		DAADMM
Nc1nccnc1C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001018643370	664588153	/nfs/dbraw/zinc/58/81/53/664588153.db2.gz	PFMKKYITSKCTMF-ZETCQYMHSA-N	-1	1	304.314	-1.113	20	0		DAADMM
O=C([C@@H]1CCNC(=O)C1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001018708661	664588976	/nfs/dbraw/zinc/58/89/76/664588976.db2.gz	MQOFVQZCVUMSLT-BDAKNGLRSA-N	-1	1	308.342	-1.273	20	0		DAADMM
CN1CCOC[C@@H]1C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001018740999	664589052	/nfs/dbraw/zinc/58/90/52/664589052.db2.gz	GJAPRPSNAOXCKW-VHSXEESVSA-N	-1	1	310.358	-1.469	20	0		DAADMM
CN1CCOC[C@H]1C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001018740996	664589551	/nfs/dbraw/zinc/58/95/51/664589551.db2.gz	GJAPRPSNAOXCKW-UWVGGRQHSA-N	-1	1	310.358	-1.469	20	0		DAADMM
Cn1ncc(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)c1N	ZINC001018749000	664589827	/nfs/dbraw/zinc/58/98/27/664589827.db2.gz	KLYIVXBHFZGNPQ-ZETCQYMHSA-N	-1	1	306.330	-1.170	20	0		DAADMM
O=C(CCn1ccnn1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001018771608	664589836	/nfs/dbraw/zinc/58/98/36/664589836.db2.gz	TVNCUPZRAHMBIC-VIFPVBQESA-N	-1	1	306.330	-1.117	20	0		DAADMM
O=C(CN1CCOCC1=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001018974405	664592411	/nfs/dbraw/zinc/59/24/11/664592411.db2.gz	HNNTXSKQRLPEOD-VIFPVBQESA-N	-1	1	324.341	-1.940	20	0		DAADMM
O=C([C@@H]1CCCNC1=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019002201	664592833	/nfs/dbraw/zinc/59/28/33/664592833.db2.gz	MQNNGVJHARQZAR-DTWKUNHWSA-N	-1	1	308.342	-1.273	20	0		DAADMM
CCN1CCOC[C@H]1C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019066672	664594239	/nfs/dbraw/zinc/59/42/39/664594239.db2.gz	RQIQQUNUGYTOLO-QWRGUYRKSA-N	-1	1	324.385	-1.079	20	0		DAADMM
O=C(CN1CCCNC1=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019086253	664594653	/nfs/dbraw/zinc/59/46/53/664594653.db2.gz	SQMBEIZCTTYUIV-VIFPVBQESA-N	-1	1	323.357	-1.384	20	0		DAADMM
C[C@@]1(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)CNC(=O)C1	ZINC001019184343	664595465	/nfs/dbraw/zinc/59/54/65/664595465.db2.gz	MJDMPMLRUBVPEY-SDBXPKJASA-N	-1	1	308.342	-1.273	20	0		DAADMM
C[C@]1(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)CNC(=O)C1	ZINC001019184342	664595641	/nfs/dbraw/zinc/59/56/41/664595641.db2.gz	MJDMPMLRUBVPEY-ISVAXAHUSA-N	-1	1	308.342	-1.273	20	0		DAADMM
CN1CC[C@H](C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)C1=O	ZINC001019262845	664596953	/nfs/dbraw/zinc/59/69/53/664596953.db2.gz	VRTJHOADOYWBPR-IUCAKERBSA-N	-1	1	308.342	-1.321	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@H]2CCCC(=O)N2)nc1=O	ZINC001038388937	664612910	/nfs/dbraw/zinc/61/29/10/664612910.db2.gz	QLXKDMIUBMIVSB-NXEZZACHSA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@@H]2CCC(=O)NC2)nc1=O	ZINC001038452790	664613577	/nfs/dbraw/zinc/61/35/77/664613577.db2.gz	SGBFJIFLZMZAOX-ZJUUUORDSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)c2csnn2)nc1=O	ZINC001038558108	664614600	/nfs/dbraw/zinc/61/46/00/664614600.db2.gz	TWIPTGVLVJHDRM-SSDOTTSWSA-N	-1	1	309.355	-1.036	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)c2csnn2)nc1=O	ZINC001038558113	664614760	/nfs/dbraw/zinc/61/47/60/664614760.db2.gz	TWIPTGVLVJHDRM-ZETCQYMHSA-N	-1	1	309.355	-1.036	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)c2ccncn2)nc1=O	ZINC001038820529	664617540	/nfs/dbraw/zinc/61/75/40/664617540.db2.gz	IRZVHQIGVWCWLH-SECBINFHSA-N	-1	1	303.326	-1.097	20	0		DAADMM
Cc1nonc1C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001039084794	664619046	/nfs/dbraw/zinc/61/90/46/664619046.db2.gz	MDZFJTPZPIQORP-QMMMGPOBSA-N	-1	1	307.314	-1.196	20	0		DAADMM
Cn1cnc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)c1	ZINC001076879095	677764490	/nfs/dbraw/zinc/76/44/90/677764490.db2.gz	FSNYVADUZYWIPN-PSASIEDQSA-N	-1	1	321.341	-2.183	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3ccsn3)[C@@H](O)C2)nc1=O	ZINC001083556677	677770529	/nfs/dbraw/zinc/77/05/29/677770529.db2.gz	KSRMIWYSXPIQQQ-BDAKNGLRSA-N	-1	1	324.366	-1.460	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@]1(O)CCOC1	ZINC000912543154	677818215	/nfs/dbraw/zinc/81/82/15/677818215.db2.gz	SODKLGJHNGKQHV-SNVBAGLBSA-N	-1	1	305.312	-1.374	20	0		DAADMM
COC[C@@H](CCO)[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC	ZINC000912543387	677818420	/nfs/dbraw/zinc/81/84/20/677818420.db2.gz	VZNMFOITPIUCJJ-SSDOTTSWSA-N	-1	1	307.328	-1.128	20	0		DAADMM
CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC	ZINC000912530556	677818610	/nfs/dbraw/zinc/81/86/10/677818610.db2.gz	ONTNNOVJTNBPLK-ZCFIWIBFSA-N	-1	1	304.328	-1.001	20	0		DAADMM
NC(=O)C(=O)NC[C@@]1(O)CCN(C(=O)c2ncccc2[O-])C1	ZINC001040750954	677846115	/nfs/dbraw/zinc/84/61/15/677846115.db2.gz	QWTHTLCKVYVMIM-ZDUSSCGKSA-N	-1	1	308.294	-2.034	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3ccco3)[C@@H](O)C2)nc1=O	ZINC001083311538	677687949	/nfs/dbraw/zinc/68/79/49/677687949.db2.gz	USKUDMQKXSYBIX-BDAKNGLRSA-N	-1	1	307.310	-1.324	20	0		DAADMM
Cn1cc(C(=O)NC[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001028518104	677690134	/nfs/dbraw/zinc/69/01/34/677690134.db2.gz	OSBHERMAKPDVPD-VIFPVBQESA-N	-1	1	320.357	-1.511	20	0		DAADMM
Cc1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)on1	ZINC001083334675	677690635	/nfs/dbraw/zinc/69/06/35/677690635.db2.gz	DTESYIAORXSUNO-BDAKNGLRSA-N	-1	1	322.325	-1.620	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3ccon3)[C@@H](O)C2)nc1=O	ZINC001083356303	677691359	/nfs/dbraw/zinc/69/13/59/677691359.db2.gz	NMRUSIRRWYUYKG-BDAKNGLRSA-N	-1	1	308.298	-1.929	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)C3=CCOCC3)[C@@H](O)C2)nc1=O	ZINC001083422859	677700547	/nfs/dbraw/zinc/70/05/47/677700547.db2.gz	SSNLWALLMIVNIO-MNOVXSKESA-N	-1	1	323.353	-1.884	20	0		DAADMM
Cn1ncc(CN2C[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)n1	ZINC001083423322	677700850	/nfs/dbraw/zinc/70/08/50/677700850.db2.gz	PLRLWSZXUZWWKS-PWSUYJOCSA-N	-1	1	318.337	-1.109	20	0		DAADMM
O=C(N[C@@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O)c1ncccc1[O-]	ZINC001083423149	677700998	/nfs/dbraw/zinc/70/09/98/677700998.db2.gz	HDPOIFZUSHQNSW-KKZNHRDASA-N	-1	1	306.322	-1.549	20	0		DAADMM
Cn1nnc(CN2C[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)n1	ZINC001083423197	677701034	/nfs/dbraw/zinc/70/10/34/677701034.db2.gz	JPKBAZPAEYYPNF-SCZZXKLOSA-N	-1	1	319.325	-1.714	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)nc1=O	ZINC001076716016	677751052	/nfs/dbraw/zinc/75/10/52/677751052.db2.gz	BEPQPJQUHVPGPG-BBBLOLIVSA-N	-1	1	311.342	-2.051	20	0		DAADMM
Cc1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)on1	ZINC001076726933	677753000	/nfs/dbraw/zinc/75/30/00/677753000.db2.gz	DTESYIAORXSUNO-RKDXNWHRSA-N	-1	1	322.325	-1.620	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3cncs3)C2)nc1=O	ZINC001076782024	677756555	/nfs/dbraw/zinc/75/65/55/677756555.db2.gz	BTZMIZJSROUQEB-HTQZYQBOSA-N	-1	1	324.366	-1.460	20	0		DAADMM
CN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O	ZINC001076812764	677759416	/nfs/dbraw/zinc/75/94/16/677759416.db2.gz	SPPYAXIRZLSKDQ-KXUCPTDWSA-N	-1	1	310.358	-1.734	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)nc1=O	ZINC001076828444	677760293	/nfs/dbraw/zinc/76/02/93/677760293.db2.gz	FCSHBTDPGKCCBQ-NXEZZACHSA-N	-1	1	321.341	-2.265	20	0		DAADMM
Cc1ncoc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001076847011	677762183	/nfs/dbraw/zinc/76/21/83/677762183.db2.gz	FMUBIJBMKQPDLB-RKDXNWHRSA-N	-1	1	322.325	-1.620	20	0		DAADMM
C[C@H](C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O)C1CC1	ZINC001076850383	677762496	/nfs/dbraw/zinc/76/24/96/677762496.db2.gz	WKHBOQRPCUFOHV-JMJZKYOTSA-N	-1	1	309.370	-1.184	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C3=CCOCC3)C2)nc1=O	ZINC001076919554	677769238	/nfs/dbraw/zinc/76/92/38/677769238.db2.gz	SSNLWALLMIVNIO-GHMZBOCLSA-N	-1	1	323.353	-1.884	20	0		DAADMM
Cc1nc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)co1	ZINC001076918401	677769253	/nfs/dbraw/zinc/76/92/53/677769253.db2.gz	ZBMKUHMUFGOIPY-PSASIEDQSA-N	-1	1	322.325	-1.620	20	0		DAADMM
Cn1nncc1CN1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001076917232	677769549	/nfs/dbraw/zinc/76/95/49/677769549.db2.gz	WIEMMKJEYSSWKA-ZYHUDNBSSA-N	-1	1	318.337	-1.109	20	0		DAADMM
CN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001076917116	677769626	/nfs/dbraw/zinc/76/96/26/677769626.db2.gz	QUEHXXXDUCUIIU-MWLCHTKSSA-N	-1	1	308.338	-1.350	20	0		DAADMM
Cn1cncc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001083610938	677811595	/nfs/dbraw/zinc/81/15/95/677811595.db2.gz	USFCWWMENFJXHR-SCZZXKLOSA-N	-1	1	321.341	-2.183	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1COCCO1	ZINC000912543632	677819199	/nfs/dbraw/zinc/81/91/99/677819199.db2.gz	FUUMINSWYGISMY-SSDOTTSWSA-N	-1	1	305.312	-1.110	20	0		DAADMM
NC(=O)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H](O)C1	ZINC000991423385	677821843	/nfs/dbraw/zinc/82/18/43/677821843.db2.gz	ILXQZFDTFWBQDL-IONNQARKSA-N	-1	1	308.294	-2.036	20	0		DAADMM
C[C@@H](O)CN1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](O)C1	ZINC001083693377	677837184	/nfs/dbraw/zinc/83/71/84/677837184.db2.gz	GLWXPARSYNRPHS-QNSHHTMESA-N	-1	1	312.326	-2.358	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)[C@@H]3CCNC3=O)[C@@H](O)C2)nc1=O	ZINC001083697774	677838373	/nfs/dbraw/zinc/83/83/73/677838373.db2.gz	LQLQDAOYJNUOJP-HLTSFMKQSA-N	-1	1	324.341	-3.094	20	0		DAADMM
Cn1nnc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)n1	ZINC001077527542	677845051	/nfs/dbraw/zinc/84/50/51/677845051.db2.gz	COFUXLVALZDHOP-RNFRBKRXSA-N	-1	1	323.317	-3.393	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)[C@H]3C[C@H]4C[C@H]4C3)[C@@H](O)C2)nc1=O	ZINC001083714168	677845493	/nfs/dbraw/zinc/84/54/93/677845493.db2.gz	DAJOCAMZBCWDKP-IIRVCBMXSA-N	-1	1	321.381	-1.184	20	0		DAADMM
COC[C@@]1(C(=O)[N-]S(=O)(=O)CC(F)(F)F)CNCCO1	ZINC000901029077	677851162	/nfs/dbraw/zinc/85/11/62/677851162.db2.gz	MMPXAEQCZMBOEE-MRVPVSSYSA-N	-1	1	320.289	-1.000	20	0		DAADMM
CC(=O)NC[C@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)CCO1	ZINC000944428163	677863837	/nfs/dbraw/zinc/86/38/37/677863837.db2.gz	BIYBRGOTSVXSJJ-NSHDSACASA-N	-1	1	324.337	-1.710	20	0		DAADMM
O=C(N[C@@H]1CN(CCO)C[C@H]1O)c1c[n-]n2c1nccc2=O	ZINC001077796403	677881511	/nfs/dbraw/zinc/88/15/11/677881511.db2.gz	AZXPSWVACJHFAC-NXEZZACHSA-N	-1	1	307.310	-2.210	20	0		DAADMM
C[C@@H](CCNC(=O)c1ncn[nH]1)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001077830513	677886941	/nfs/dbraw/zinc/88/69/41/677886941.db2.gz	QMVRYVZDWSGCQW-YFKPBYRVSA-N	-1	1	322.285	-1.661	20	0		DAADMM
C[C@@H](CCNC(=O)c1nc[nH]n1)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001077830513	677886944	/nfs/dbraw/zinc/88/69/44/677886944.db2.gz	QMVRYVZDWSGCQW-YFKPBYRVSA-N	-1	1	322.285	-1.661	20	0		DAADMM
O=C([C@@H]1CCNC1=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000999893218	677892512	/nfs/dbraw/zinc/89/25/12/677892512.db2.gz	HOTJTVNIDUVXPS-DTWKUNHWSA-N	-1	1	308.342	-1.273	20	0		DAADMM
NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001077999590	677903587	/nfs/dbraw/zinc/90/35/87/677903587.db2.gz	RJUUHFFSSPVQRY-HTQZYQBOSA-N	-1	1	321.297	-3.322	20	0		DAADMM
Cn1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nc(=O)n(C)[n-]2)n1	ZINC001032782688	677905304	/nfs/dbraw/zinc/90/53/04/677905304.db2.gz	IYUGJAKMGNRSEC-UWVGGRQHSA-N	-1	1	317.353	-1.059	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)nc1=O	ZINC001078029317	677905711	/nfs/dbraw/zinc/90/57/11/677905711.db2.gz	XIJVVNSQYODWTN-DJLDLDEBSA-N	-1	1	324.341	-2.952	20	0		DAADMM
C[C@@H](CCNC(=O)C(N)=O)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001078116003	677909750	/nfs/dbraw/zinc/90/97/50/677909750.db2.gz	GLDCTXGLSNMXMN-LURJTMIESA-N	-1	1	321.297	-2.473	20	0		DAADMM
O=C(CN1CCCC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O	ZINC001078179042	677915400	/nfs/dbraw/zinc/91/54/00/677915400.db2.gz	PPTQCFZNPNIKDM-NXEZZACHSA-N	-1	1	310.358	-1.733	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)Cc3ccc[nH]3)C2)nc1=O	ZINC001078206940	677919494	/nfs/dbraw/zinc/91/94/94/677919494.db2.gz	KUTNJBMZWBEFAW-GHMZBOCLSA-N	-1	1	320.353	-1.660	20	0		DAADMM
NC(=O)CC(=O)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001078362308	677924150	/nfs/dbraw/zinc/92/41/50/677924150.db2.gz	TZSRZJAXWDQNQR-MRVPVSSYSA-N	-1	1	312.330	-1.907	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)Cn1ncnn1	ZINC001079704263	678025341	/nfs/dbraw/zinc/02/53/41/678025341.db2.gz	QLCBLCCBLZWWHD-RKDXNWHRSA-N	-1	1	321.345	-2.268	20	0		DAADMM
NC(=O)CC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001081365263	678069319	/nfs/dbraw/zinc/06/93/19/678069319.db2.gz	MJVZBBOAFFCNKL-WPRPVWTQSA-N	-1	1	322.321	-1.788	20	0		DAADMM
CNC(=O)CN1C[C@@H](NC(=O)c2ncccc2[O-])[C@H](OC)C1	ZINC001081578435	678085553	/nfs/dbraw/zinc/08/55/53/678085553.db2.gz	DLGBMJDBLUBUMQ-MWLCHTKSSA-N	-1	1	308.338	-1.038	20	0		DAADMM
CC(=O)N1C[C@H](O)[C@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001081601389	678089922	/nfs/dbraw/zinc/08/99/22/678089922.db2.gz	QPMSYWBGTFODAH-MNOVXSKESA-N	-1	1	324.337	-2.118	20	0		DAADMM
CC(=O)N1C[C@@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)[C@H](O)C1	ZINC001081601388	678089985	/nfs/dbraw/zinc/08/99/85/678089985.db2.gz	QPMSYWBGTFODAH-GHMZBOCLSA-N	-1	1	324.337	-2.118	20	0		DAADMM
CO[C@@H]1CN(CCO)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O	ZINC001082016416	678109267	/nfs/dbraw/zinc/10/92/67/678109267.db2.gz	NGMVSYUNWWSMQL-NXEZZACHSA-N	-1	1	312.326	-2.093	20	0		DAADMM
CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1cnco1	ZINC001082000142	678109353	/nfs/dbraw/zinc/10/93/53/678109353.db2.gz	UHKHEWVYDYPIHK-PSASIEDQSA-N	-1	1	322.325	-1.274	20	0		DAADMM
CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1cnon1	ZINC001082256616	678113435	/nfs/dbraw/zinc/11/34/35/678113435.db2.gz	RBKRZBOVLGZNRV-RKDXNWHRSA-N	-1	1	323.313	-1.879	20	0		DAADMM
CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1nc[nH]n1	ZINC001082251935	678113494	/nfs/dbraw/zinc/11/34/94/678113494.db2.gz	LWVQDTIRFIDGSL-RNFRBKRXSA-N	-1	1	308.302	-1.742	20	0		DAADMM
CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ncn[nH]1	ZINC001082251935	678113495	/nfs/dbraw/zinc/11/34/95/678113495.db2.gz	LWVQDTIRFIDGSL-RNFRBKRXSA-N	-1	1	308.302	-1.742	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082496454	678117675	/nfs/dbraw/zinc/11/76/75/678117675.db2.gz	AJJXTVZCCGGDMG-PRJMDXOYSA-N	-1	1	310.314	-1.445	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082542674	678118162	/nfs/dbraw/zinc/11/81/62/678118162.db2.gz	QWYZDQBGWWBHIB-KXUCPTDWSA-N	-1	1	322.369	-1.075	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082744273	678119592	/nfs/dbraw/zinc/11/95/92/678119592.db2.gz	BKZGSXJDUMZWGS-LURQLKTLSA-N	-1	1	308.342	-1.432	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082738443	678119720	/nfs/dbraw/zinc/11/97/20/678119720.db2.gz	PDWWLUYEPOWQSN-NUPCCRGMSA-N	-1	1	322.369	-1.027	20	0		DAADMM
NC(=O)CN1C[C@H]2OCCN(C(=O)c3ncccc3[O-])[C@H]2C1	ZINC001083059691	678122639	/nfs/dbraw/zinc/12/26/39/678122639.db2.gz	RDSABYFODQFYAU-GXSJLCMTSA-N	-1	1	306.322	-1.202	20	0		DAADMM
Cn1[n-]c(CN2CCC3(CN(C(=O)c4cnon4)C3)C2)nc1=O	ZINC001073069134	678168193	/nfs/dbraw/zinc/16/81/93/678168193.db2.gz	RABWDEBSXUSNHQ-UHFFFAOYSA-N	-1	1	319.325	-1.161	20	0		DAADMM
C[C@H](C(N)=O)N1CCC2(CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1	ZINC001073153056	678168723	/nfs/dbraw/zinc/16/87/23/678168723.db2.gz	SDNWAVJDGMNLNK-MRVPVSSYSA-N	-1	1	324.341	-1.903	20	0		DAADMM
O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1cnn[nH]1	ZINC001073674780	678177095	/nfs/dbraw/zinc/17/70/95/678177095.db2.gz	NIKOKEWYTIKMRG-QMMMGPOBSA-N	-1	1	322.329	-1.351	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)[C@H]1CCNC1=O	ZINC001074795181	678204755	/nfs/dbraw/zinc/20/47/55/678204755.db2.gz	WUZIZWXTTPJZCB-CIUDSAMLSA-N	-1	1	308.342	-1.275	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)c2c[nH]c(=O)cn2)nc1=O	ZINC001038637818	678219842	/nfs/dbraw/zinc/21/98/42/678219842.db2.gz	FFTPKYSPUHKUFW-MRVPVSSYSA-N	-1	1	319.325	-1.804	20	0		DAADMM
CCn1cc(C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)nn1	ZINC001038853267	678220485	/nfs/dbraw/zinc/22/04/85/678220485.db2.gz	JKBQMDBCQXOWRA-VIFPVBQESA-N	-1	1	320.357	-1.276	20	0		DAADMM
CC(=O)NCC1(O)CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001041046671	678262538	/nfs/dbraw/zinc/26/25/38/678262538.db2.gz	DQQBYRGKSQKUSD-UHFFFAOYSA-N	-1	1	306.282	-2.259	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)nc1=O	ZINC001041987020	678309486	/nfs/dbraw/zinc/30/94/86/678309486.db2.gz	VXJFUVYELHCCHW-UWVGGRQHSA-N	-1	1	322.369	-1.593	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@H]32)nc1=O	ZINC001041987019	678309592	/nfs/dbraw/zinc/30/95/92/678309592.db2.gz	VXJFUVYELHCCHW-NXEZZACHSA-N	-1	1	322.369	-1.593	20	0		DAADMM
CN(C(=O)c1cc[n+]([O-])cc1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042441531	678328330	/nfs/dbraw/zinc/32/83/30/678328330.db2.gz	JZYLXAGJYZMGKX-UHFFFAOYSA-N	-1	1	318.337	-1.302	20	0		DAADMM
CN(C(=O)Cn1cnnn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042460636	678328873	/nfs/dbraw/zinc/32/88/73/678328873.db2.gz	WMHIJXCNSIVONQ-UHFFFAOYSA-N	-1	1	307.318	-2.562	20	0		DAADMM
CN(C(=O)Cc1cnn(C)c1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042532856	678330587	/nfs/dbraw/zinc/33/05/87/678330587.db2.gz	FFADHDAWEGJNKU-UHFFFAOYSA-N	-1	1	319.369	-1.273	20	0		DAADMM
CN(C(=O)c1nccnc1N)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042551272	678331376	/nfs/dbraw/zinc/33/13/76/678331376.db2.gz	BCWUIMLGKKHQII-UHFFFAOYSA-N	-1	1	318.341	-1.563	20	0		DAADMM
C[C@H](C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1)n1cncn1	ZINC001042633064	678334379	/nfs/dbraw/zinc/33/43/79/678334379.db2.gz	MIRAOQWGJHJWHG-SECBINFHSA-N	-1	1	320.357	-1.396	20	0		DAADMM
CN(C(=O)c1cncnc1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042643571	678335529	/nfs/dbraw/zinc/33/55/29/678335529.db2.gz	HEAWKVYAAPGYLJ-UHFFFAOYSA-N	-1	1	303.326	-1.145	20	0		DAADMM
CN(C(=O)Cc1ccnn1C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042664802	678336790	/nfs/dbraw/zinc/33/67/90/678336790.db2.gz	BWVLOAVVIACXLA-UHFFFAOYSA-N	-1	1	319.369	-1.273	20	0		DAADMM
CN(C(=O)Cc1cncnc1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042670243	678336994	/nfs/dbraw/zinc/33/69/94/678336994.db2.gz	WMNSLPDDABHXFI-UHFFFAOYSA-N	-1	1	317.353	-1.216	20	0		DAADMM
O=C(NCC1(O)CN(C(=O)c2cnon2)C1)c1ncccc1[O-]	ZINC001042716361	678339889	/nfs/dbraw/zinc/33/98/89/678339889.db2.gz	LCMXINMEOJIGSX-UHFFFAOYSA-N	-1	1	319.277	-1.213	20	0		DAADMM
CN(C(=O)[C@@H]1CC(=O)N(C)C1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042844079	678347993	/nfs/dbraw/zinc/34/79/93/678347993.db2.gz	KYBINSHRXXLAEB-SECBINFHSA-N	-1	1	322.369	-1.771	20	0		DAADMM
CN(C(=O)C[C@@H]1CCNC1=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042905421	678354438	/nfs/dbraw/zinc/35/44/38/678354438.db2.gz	WUZFTZABXBQMDV-VIFPVBQESA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN(C(=O)[C@H]1CCNC1=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043528067	678384676	/nfs/dbraw/zinc/38/46/76/678384676.db2.gz	LAKZQFXSGQKFEE-VIFPVBQESA-N	-1	1	308.342	-2.113	20	0		DAADMM
CN(C(=O)[C@@H]1CCN(C)C1=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043569394	678385927	/nfs/dbraw/zinc/38/59/27/678385927.db2.gz	FXIXAMRMUWRRGO-SNVBAGLBSA-N	-1	1	322.369	-1.771	20	0		DAADMM
CN(C(=O)Cc1cnoc1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043607075	678387150	/nfs/dbraw/zinc/38/71/50/678387150.db2.gz	GZDKIMOFXNPUFV-UHFFFAOYSA-N	-1	1	306.326	-1.018	20	0		DAADMM
Cc1ccn(CC(=O)N(C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001043909101	678405319	/nfs/dbraw/zinc/40/53/19/678405319.db2.gz	UEFJBSHZPWFLJV-UHFFFAOYSA-N	-1	1	319.369	-1.044	20	0		DAADMM
CN(C(=O)C[C@H]1CCC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001044041159	678409954	/nfs/dbraw/zinc/40/99/54/678409954.db2.gz	FPXZDINYZYFRAR-SECBINFHSA-N	-1	1	322.369	-1.580	20	0		DAADMM
C[C@H](C(N)=O)N1CC(N(C)C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001044181082	678415294	/nfs/dbraw/zinc/41/52/94/678415294.db2.gz	VOGNPVYDDKVXDI-SSDOTTSWSA-N	-1	1	319.325	-1.952	20	0		DAADMM
CN(C(=O)c1ccn(C)n1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001044291963	678418614	/nfs/dbraw/zinc/41/86/14/678418614.db2.gz	IAESAMYJMHAUCY-UHFFFAOYSA-N	-1	1	305.342	-1.202	20	0		DAADMM
O=C(NCC1(O)CN(C(=O)c2ncccc2[O-])C1)c1nnc[nH]1	ZINC001044770653	678433090	/nfs/dbraw/zinc/43/30/90/678433090.db2.gz	GDZRQSUJONNGEQ-UHFFFAOYSA-N	-1	1	318.293	-1.478	20	0		DAADMM
O=C([C@H]1CCC(=O)N1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001044959699	678442651	/nfs/dbraw/zinc/44/26/51/678442651.db2.gz	BQFQRVIPLALGFV-DTWKUNHWSA-N	-1	1	308.342	-1.131	20	0		DAADMM
CN1CCO[C@@H](C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)C1	ZINC001044974727	678442845	/nfs/dbraw/zinc/44/28/45/678442845.db2.gz	HRPASDCBIQDENS-WDEREUQCSA-N	-1	1	324.385	-1.079	20	0		DAADMM
CN1CCOC[C@@H]1C(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001045003957	678442989	/nfs/dbraw/zinc/44/29/89/678442989.db2.gz	XZIDFQLOMBNRKK-WDEREUQCSA-N	-1	1	324.385	-1.079	20	0		DAADMM
CN1CCOC[C@H]1C(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001045003956	678443227	/nfs/dbraw/zinc/44/32/27/678443227.db2.gz	XZIDFQLOMBNRKK-QWRGUYRKSA-N	-1	1	324.385	-1.079	20	0		DAADMM
O=C(Cn1ncnn1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001045040634	678444941	/nfs/dbraw/zinc/44/49/41/678444941.db2.gz	ODQGOPSFMIIVHJ-QMMMGPOBSA-N	-1	1	307.318	-1.722	20	0		DAADMM
CN1C[C@@H](C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)NC1=O	ZINC001045149537	678447228	/nfs/dbraw/zinc/44/72/28/678447228.db2.gz	HFEYGPNTNVJIHF-IUCAKERBSA-N	-1	1	323.357	-1.386	20	0		DAADMM
O=C(c1c[nH]c(=O)cn1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001045174792	678448181	/nfs/dbraw/zinc/44/81/81/678448181.db2.gz	QOMHCHOLEJKPMS-QMMMGPOBSA-N	-1	1	319.325	-1.012	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](C)(NC(=O)[C@H]3CCC(=O)N3)C2)nc1=O	ZINC001046196524	678477982	/nfs/dbraw/zinc/47/79/82/678477982.db2.gz	DLSGJXQYHXHCMV-YMTOWFKASA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cn1cnc(C(=O)N[C@@]2(C)CCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001046285922	678480306	/nfs/dbraw/zinc/48/03/06/678480306.db2.gz	MHCMQWZGCGPGIO-ZDUSSCGKSA-N	-1	1	320.357	-1.369	20	0		DAADMM
Cn1nncc1C(=O)N[C@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001046285887	678480394	/nfs/dbraw/zinc/48/03/94/678480394.db2.gz	LNWIFJSCXCQUGC-CYBMUJFWSA-N	-1	1	320.357	-1.369	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](C)(NC(=O)[C@H]3COC(=O)N3)C2)nc1=O	ZINC001046286867	678480500	/nfs/dbraw/zinc/48/05/00/678480500.db2.gz	GZBXMVSSAOKXKI-OQPBUACISA-N	-1	1	324.341	-1.703	20	0		DAADMM
CC[C@@H](C(N)=O)N1CC[C@@](C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001046453559	678482811	/nfs/dbraw/zinc/48/28/11/678482811.db2.gz	IIJBXVQNWGADDU-WPPNPWJKSA-N	-1	1	324.341	-1.259	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](C)(NC(=O)[C@@H]3CCNC3=O)C2)nc1=O	ZINC001046540659	678484306	/nfs/dbraw/zinc/48/43/06/678484306.db2.gz	YIVQYQZCEIJTNM-YMTOWFKASA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](C)(NC(=O)[C@@H]3CNC(=O)N3)C2)nc1=O	ZINC001046589233	678486860	/nfs/dbraw/zinc/48/68/60/678486860.db2.gz	TWRZWJLQQXPNIY-SDBXPKJASA-N	-1	1	323.357	-2.130	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](C)(NC(=O)c3cnon3)C2)nc1=O	ZINC001046720032	678489941	/nfs/dbraw/zinc/48/99/41/678489941.db2.gz	UNAIAPKAICAFOL-GFCCVEGCSA-N	-1	1	307.314	-1.114	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](C)(NC(=O)[C@@H]3CCC(=O)N3)C2)nc1=O	ZINC001046778344	678491177	/nfs/dbraw/zinc/49/11/77/678491177.db2.gz	DLSGJXQYHXHCMV-XPTSAGLGSA-N	-1	1	322.369	-1.532	20	0		DAADMM
CN(C(=O)C(C)(C)F)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001047276139	678502474	/nfs/dbraw/zinc/50/24/74/678502474.db2.gz	KKSZGFWGEPMFGJ-IUCAKERBSA-N	-1	1	315.349	-1.140	20	0		DAADMM
CN(C(=O)C1CCC1)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001047280796	678502899	/nfs/dbraw/zinc/50/28/99/678502899.db2.gz	KDCFSZWEKANZIA-QWRGUYRKSA-N	-1	1	309.370	-1.088	20	0		DAADMM
CN(C(=O)c1cc[nH]n1)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001047312003	678506355	/nfs/dbraw/zinc/50/63/55/678506355.db2.gz	OUKUFPXYDGMLLT-UWVGGRQHSA-N	-1	1	321.341	-1.851	20	0		DAADMM
CN(C(=O)[C@H]1CCCN1C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001047324329	678507529	/nfs/dbraw/zinc/50/75/29/678507529.db2.gz	OLQSEMITACZBAW-VWYCJHECSA-N	-1	1	324.385	-1.392	20	0		DAADMM
CN(C(=O)[C@@H]1CCCN1C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001047324328	678507754	/nfs/dbraw/zinc/50/77/54/678507754.db2.gz	OLQSEMITACZBAW-DCAQKATOSA-N	-1	1	324.385	-1.392	20	0		DAADMM
CN(C(=O)c1ncc[nH]1)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001047375166	678513046	/nfs/dbraw/zinc/51/30/46/678513046.db2.gz	FVQDCPGHQHYDAX-IUCAKERBSA-N	-1	1	321.341	-1.851	20	0		DAADMM
CN(C(=O)c1cc[nH]c1)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001047391574	678515143	/nfs/dbraw/zinc/51/51/43/678515143.db2.gz	PDOKXMRYFZCBGN-QWRGUYRKSA-N	-1	1	320.353	-1.246	20	0		DAADMM
CN(C(=O)c1cnc([O-])n(C)c1=O)[C@H]1CN(CCO)C[C@@H]1O	ZINC001047483421	678524059	/nfs/dbraw/zinc/52/40/59/678524059.db2.gz	LQWMUXCBTCOJHJ-UWVGGRQHSA-N	-1	1	312.326	-2.405	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]3[C@H]2CCCN3C(=O)CC(N)=O)nc1=O	ZINC001049382101	678581101	/nfs/dbraw/zinc/58/11/01/678581101.db2.gz	MUYHXOOVPNUESF-NXEZZACHSA-N	-1	1	322.369	-1.451	20	0		DAADMM
O=C(c1ccn[nH]1)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001053169074	678593895	/nfs/dbraw/zinc/59/38/95/678593895.db2.gz	NHOBGPSENGRCSF-UHFFFAOYSA-N	-1	1	319.325	-1.040	20	0		DAADMM
CCN1CC2(C1)CN(C(=O)c1cc(=O)n3[n-]cnc3n1)CCO2	ZINC001053507690	678606726	/nfs/dbraw/zinc/60/67/26/678606726.db2.gz	RTUMXJJHWIXNIZ-UHFFFAOYSA-N	-1	1	318.337	-1.036	20	0		DAADMM
NC(=O)CN1CC2(C1)C[C@H](NC(=O)c1ncccc1[O-])CO2	ZINC001053783988	678614325	/nfs/dbraw/zinc/61/43/25/678614325.db2.gz	DAIMEMRDJXFAIP-VIFPVBQESA-N	-1	1	306.322	-1.154	20	0		DAADMM
O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1cnn[nH]1	ZINC001053861491	678618693	/nfs/dbraw/zinc/61/86/93/678618693.db2.gz	LPENGKVLVGDJBZ-ZETCQYMHSA-N	-1	1	320.313	-1.598	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@]3(C2)CCCN(C(=O)C(N)=O)C3)nc1=O	ZINC001054188610	678629105	/nfs/dbraw/zinc/62/91/05/678629105.db2.gz	PGQNLLPGPHTSKN-CQSZACIVSA-N	-1	1	322.369	-1.592	20	0		DAADMM
C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054589436	678632874	/nfs/dbraw/zinc/63/28/74/678632874.db2.gz	YEHAMQCVQDGLCM-MNOVXSKESA-N	-1	1	324.385	-1.221	20	0		DAADMM
C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054635389	678633554	/nfs/dbraw/zinc/63/35/54/678633554.db2.gz	OYBQJJNHCZNPBX-YUMQZZPRSA-N	-1	1	306.330	-1.111	20	0		DAADMM
NC(=O)C(=O)N1CCC[C@@](CO)(NC(=O)c2ncccc2[O-])C1	ZINC001055900804	678650928	/nfs/dbraw/zinc/65/09/28/678650928.db2.gz	UGJYTKIMQJMNJS-CQSZACIVSA-N	-1	1	322.321	-1.644	20	0		DAADMM
NC(=O)CC(=O)N(CCO)CCNC(=O)c1ncccc1[O-]	ZINC001057241702	678701741	/nfs/dbraw/zinc/70/17/41/678701741.db2.gz	KKADVOYUKFTIBC-UHFFFAOYSA-N	-1	1	310.310	-1.787	20	0		DAADMM
O=C(NCCN(CCO)C(=O)c1ncccc1[O-])c1nnc[nH]1	ZINC001057410096	678715027	/nfs/dbraw/zinc/71/50/27/678715027.db2.gz	CBRVOAUFKLJLCB-UHFFFAOYSA-N	-1	1	320.309	-1.230	20	0		DAADMM
Cn1[n-]c(CN2CCOC[C@H]2CNC(=O)c2ccon2)nc1=O	ZINC001050831209	678731808	/nfs/dbraw/zinc/73/18/08/678731808.db2.gz	SSMQJPJXZGQMDX-SECBINFHSA-N	-1	1	322.325	-1.273	20	0		DAADMM
Cn1[n-]c(CN2CCOC[C@@H]2CNC(=O)c2ccon2)nc1=O	ZINC001050831210	678731880	/nfs/dbraw/zinc/73/18/80/678731880.db2.gz	SSMQJPJXZGQMDX-VIFPVBQESA-N	-1	1	322.325	-1.273	20	0		DAADMM
Cn1[n-]c(CN2CCOC[C@@H]2CNC(=O)c2cocn2)nc1=O	ZINC001050841879	678732490	/nfs/dbraw/zinc/73/24/90/678732490.db2.gz	LFFCWFRYISSWFS-VIFPVBQESA-N	-1	1	322.325	-1.273	20	0		DAADMM
O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1cnn[nH]1	ZINC001050995094	678741995	/nfs/dbraw/zinc/74/19/95/678741995.db2.gz	GKQIWTSDMRVJSS-ZETCQYMHSA-N	-1	1	308.302	-1.741	20	0		DAADMM
O=C(NC[C@H]1COCCN1CCO)c1cc(=O)n2[n-]cnc2n1	ZINC001051209672	678750232	/nfs/dbraw/zinc/75/02/32/678750232.db2.gz	LWTZOSPFWODCKQ-VIFPVBQESA-N	-1	1	322.325	-2.160	20	0		DAADMM
O=C(c1cnccn1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051405494	678754218	/nfs/dbraw/zinc/75/42/18/678754218.db2.gz	WHMMIZYBQJUXTJ-VIFPVBQESA-N	-1	1	319.325	-1.069	20	0		DAADMM
O=C(Cn1cccn1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051437804	678756153	/nfs/dbraw/zinc/75/61/53/678756153.db2.gz	WRIWSVOHYPXJEK-JTQLQIEISA-N	-1	1	321.341	-1.276	20	0		DAADMM
O=C([C@H]1CCOC1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051483184	678758522	/nfs/dbraw/zinc/75/85/22/678758522.db2.gz	QULYCWASMVKXJM-VHSXEESVSA-N	-1	1	311.342	-1.136	20	0		DAADMM
Cn1cnc(C(=O)N2CCO[C@H](CNCc3n[nH]c(=O)[n-]3)C2)c1	ZINC001051547457	678760728	/nfs/dbraw/zinc/76/07/28/678760728.db2.gz	KGEXKNOCPTYQJX-SECBINFHSA-N	-1	1	321.341	-1.125	20	0		DAADMM
O=C(c1ncc[nH]1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051601648	678762573	/nfs/dbraw/zinc/76/25/73/678762573.db2.gz	AMQRTPCLXDCWLS-MRVPVSSYSA-N	-1	1	307.314	-1.136	20	0		DAADMM
Cn1cnc(C(=O)N2CCO[C@H](CNCc3n[nH]c(=O)[n-]3)C2)n1	ZINC001051596391	678762921	/nfs/dbraw/zinc/76/29/21/678762921.db2.gz	RSZQJVAWMVEKES-MRVPVSSYSA-N	-1	1	322.329	-1.730	20	0		DAADMM
Cn1cncc1C(=O)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051702928	678767377	/nfs/dbraw/zinc/76/73/77/678767377.db2.gz	KWSGGLFRVRKSSM-SECBINFHSA-N	-1	1	321.341	-1.125	20	0		DAADMM
Cn1cncc1C(=O)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051702929	678767460	/nfs/dbraw/zinc/76/74/60/678767460.db2.gz	KWSGGLFRVRKSSM-VIFPVBQESA-N	-1	1	321.341	-1.125	20	0		DAADMM
Cn1nnc(C(=O)N2CCO[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)n1	ZINC001051771663	678770973	/nfs/dbraw/zinc/77/09/73/678770973.db2.gz	DCKGISFHNRLHCY-ZETCQYMHSA-N	-1	1	323.317	-2.335	20	0		DAADMM
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051826488	678775169	/nfs/dbraw/zinc/77/51/69/678775169.db2.gz	CTYTVUKDGLWJDL-HLTSFMKQSA-N	-1	1	324.341	-2.051	20	0		DAADMM
O=C(c1ccncn1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051875506	678777215	/nfs/dbraw/zinc/77/72/15/678777215.db2.gz	UMYUGPQGAPIJQN-SECBINFHSA-N	-1	1	319.325	-1.069	20	0		DAADMM
O=C(Cn1cncn1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051924690	678779492	/nfs/dbraw/zinc/77/94/92/678779492.db2.gz	TUTTZUUAVQAQQT-VIFPVBQESA-N	-1	1	322.329	-1.881	20	0		DAADMM
O=C(Cn1ccnc1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051949083	678781483	/nfs/dbraw/zinc/78/14/83/678781483.db2.gz	VXOWYOGEYLFTFU-JTQLQIEISA-N	-1	1	321.341	-1.276	20	0		DAADMM
NC(=O)CN1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001052527525	678792632	/nfs/dbraw/zinc/79/26/32/678792632.db2.gz	CWJGYSKLEVFLIJ-SSDOTTSWSA-N	-1	1	310.314	-1.648	20	0		DAADMM
CC(=O)NCCN(CCO)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001058152911	678808734	/nfs/dbraw/zinc/80/87/34/678808734.db2.gz	HBIULWZQCCGDDU-UHFFFAOYSA-N	-1	1	308.298	-2.012	20	0		DAADMM
COC(=O)CCCS(=O)(=O)[N-][C@H](CC(N)=O)C(=O)OC	ZINC001201921573	782223925	/nfs/dbraw/zinc/22/39/25/782223925.db2.gz	WQCIMDPWJKJVFI-SSDOTTSWSA-N	-1	1	310.328	-1.724	20	0		DAADMM
NC(=O)CNC/C=C/CNC(=O)c1c[n-]n2c1nccc2=O	ZINC001274421934	782275661	/nfs/dbraw/zinc/27/56/61/782275661.db2.gz	MSEFTWIWLWFYMR-OWOJBTEDSA-N	-1	1	304.310	-1.617	20	0		DAADMM
C[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001274269880	782273589	/nfs/dbraw/zinc/27/35/89/782273589.db2.gz	LEOOOSRPONTZNQ-WCBMZHEXSA-N	-1	1	322.369	-1.027	20	0		DAADMM
C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2	ZINC001097446117	782422820	/nfs/dbraw/zinc/42/28/20/782422820.db2.gz	OOYGSZALVPIBNI-BGZDPUMWSA-N	-1	1	309.326	-1.001	20	0		DAADMM
COCCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001099619682	782454869	/nfs/dbraw/zinc/45/48/69/782454869.db2.gz	CKXQCOPXEBJCAV-UWVGGRQHSA-N	-1	1	313.358	-1.804	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)NC(N)=O)co1	ZINC000756401806	782585284	/nfs/dbraw/zinc/58/52/84/782585284.db2.gz	FRVRQGYPDAOTRK-YFKPBYRVSA-N	-1	1	319.295	-1.072	20	0		DAADMM
CC(=O)NCC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001101684607	782599504	/nfs/dbraw/zinc/59/95/04/782599504.db2.gz	LXJZXXARAMTNPD-PSASIEDQSA-N	-1	1	310.358	-1.170	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CCCS(=O)(=O)C1	ZINC001116064638	782657201	/nfs/dbraw/zinc/65/72/01/782657201.db2.gz	DJQJIFMFOUXCBB-SECBINFHSA-N	-1	1	315.351	-1.380	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCN2CC=CC2)c(=O)n(C)c1=O	ZINC001116185110	782658104	/nfs/dbraw/zinc/65/81/04/782658104.db2.gz	YKJJQRQAHDWVCZ-UHFFFAOYSA-N	-1	1	314.367	-1.766	20	0		DAADMM
CCS(=O)(=O)C[C@@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001116056012	782656084	/nfs/dbraw/zinc/65/60/84/782656084.db2.gz	YHSBALNYGUQJDD-SECBINFHSA-N	-1	1	317.367	-1.134	20	0		DAADMM
COCCN(C)CCNC(=O)C(=O)[N-]OC[C@H]1CCOC1	ZINC001117151999	782677134	/nfs/dbraw/zinc/67/71/34/782677134.db2.gz	BKJCTLPUQPHPOK-NSHDSACASA-N	-1	1	303.359	-1.235	20	0		DAADMM
O=C(Nc1cccc2c1OCCO2)C(=O)NN1CC(=O)[N-]C1=O	ZINC001117438936	782691187	/nfs/dbraw/zinc/69/11/87/782691187.db2.gz	TUBJNDPWOTVPEM-UHFFFAOYSA-N	-1	1	320.261	-1.021	20	0		DAADMM
CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)CCn1cnccc1=O	ZINC001266929434	775187216	/nfs/dbraw/zinc/18/72/16/775187216.db2.gz	SPCJGRLDYQHCCW-UHFFFAOYSA-N	-1	1	321.341	-1.295	20	0		DAADMM
CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCc2nncn2C1	ZINC001267109160	775204837	/nfs/dbraw/zinc/20/48/37/775204837.db2.gz	CXDZCGBBJMSBQB-SECBINFHSA-N	-1	1	320.357	-1.088	20	0		DAADMM
CNC(=O)CN(C)CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001267221476	775215890	/nfs/dbraw/zinc/21/58/90/775215890.db2.gz	KBKCUNQCPBULQQ-UHFFFAOYSA-N	-1	1	311.342	-2.279	20	0		DAADMM
O=C(c1cnns1)N(CCO)CCNCc1n[nH]c(=O)[n-]1	ZINC001279666930	775230588	/nfs/dbraw/zinc/23/05/88/775230588.db2.gz	MGRLZRCMCZVVPC-UHFFFAOYSA-N	-1	1	313.343	-1.414	20	0		DAADMM
CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)CN(C)C(=O)C1CC1	ZINC001267381229	775232923	/nfs/dbraw/zinc/23/29/23/775232923.db2.gz	WYMWALLMPHEAPT-UHFFFAOYSA-N	-1	1	310.358	-1.073	20	0		DAADMM
CN(CCN(C)C(=O)c1cc[n+]([O-])cc1)Cc1nc(=O)n(C)[n-]1	ZINC001268230723	775352984	/nfs/dbraw/zinc/35/29/84/775352984.db2.gz	SXPAIFTUFNERLX-UHFFFAOYSA-N	-1	1	320.353	-1.054	20	0		DAADMM
O=C(NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1)c1ccc(F)nc1	ZINC001268294601	775356897	/nfs/dbraw/zinc/35/68/97/775356897.db2.gz	AEQPJHZGNCWUTC-QMMMGPOBSA-N	-1	1	310.289	-1.075	20	0		DAADMM
CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1cc(=O)n(C)cn1	ZINC001268458825	775385459	/nfs/dbraw/zinc/38/54/59/775385459.db2.gz	JKMTTWHLPSBYQF-UHFFFAOYSA-N	-1	1	321.341	-1.144	20	0		DAADMM
CN1C(=O)C[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)C1=O	ZINC001211831619	775404349	/nfs/dbraw/zinc/40/43/49/775404349.db2.gz	HLQYFBAWGIQXKI-YFKPBYRVSA-N	-1	1	316.295	-2.479	20	0		DAADMM
CNC(=O)CN1CC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001269177293	775447236	/nfs/dbraw/zinc/44/72/36/775447236.db2.gz	CTYOBXNYNGPDJN-SNVBAGLBSA-N	-1	1	323.353	-2.137	20	0		DAADMM
CC[C@@H](C)N1C(=O)COCC12CN(C(=O)Cc1nn[n-]n1)C2	ZINC001269576138	775471398	/nfs/dbraw/zinc/47/13/98/775471398.db2.gz	GCQGRIZRVDMRTK-SECBINFHSA-N	-1	1	308.342	-1.020	20	0		DAADMM
CC[C@H](C)N1CC2(CN(C(=O)Cc3nn[n-]n3)C2)OCC1=O	ZINC001269576301	775473101	/nfs/dbraw/zinc/47/31/01/775473101.db2.gz	HJPHPFJJVNSBME-VIFPVBQESA-N	-1	1	308.342	-1.020	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CCC2(C[C@@H]2C(=O)NC2COC2)CC1	ZINC001269577119	775473376	/nfs/dbraw/zinc/47/33/76/775473376.db2.gz	FAFRMFUWXAITAW-SNVBAGLBSA-N	-1	1	320.353	-1.114	20	0		DAADMM
CCOCCN1CC2(CN(C(=O)Cc3nn[n-]n3)C2)OCC1=O	ZINC001269576618	775473491	/nfs/dbraw/zinc/47/34/91/775473491.db2.gz	QPZFLSZLYBQDHS-UHFFFAOYSA-N	-1	1	324.341	-1.782	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC2(C1)CN(CC(F)F)C(=O)CO2	ZINC001269577404	775473603	/nfs/dbraw/zinc/47/36/03/775473603.db2.gz	HULZGWXYNXFFJZ-UHFFFAOYSA-N	-1	1	316.268	-1.553	20	0		DAADMM
CN(C)C(=O)CN1CC[C@H]2[C@@H]1CCN2C(=O)Cc1nnn[n-]1	ZINC001270183542	775486757	/nfs/dbraw/zinc/48/67/57/775486757.db2.gz	YRGXCWFKBNYVHS-UWVGGRQHSA-N	-1	1	307.358	-1.494	20	0		DAADMM
Cn1ccnc1NC(=O)[C@H]1CC12CN(C(=O)Cc1nn[n-]n1)C2	ZINC001270783986	775506834	/nfs/dbraw/zinc/50/68/34/775506834.db2.gz	BKKOKGAWUGADHT-MRVPVSSYSA-N	-1	1	316.325	-1.037	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC2(C[C@@H]2C(=O)Nc2nnco2)C1	ZINC001270784607	775508419	/nfs/dbraw/zinc/50/84/19/775508419.db2.gz	LEIHURJENRCRSK-ZCFIWIBFSA-N	-1	1	304.270	-1.388	20	0		DAADMM
CN(C)C(=O)CNC(=O)C12CC(NC(=O)Cc3nn[n-]n3)(C1)C2	ZINC001270788683	775508581	/nfs/dbraw/zinc/50/85/81/775508581.db2.gz	JCZYALSBDAZNQY-UHFFFAOYSA-N	-1	1	321.341	-2.015	20	0		DAADMM
CN(C)C(=O)c1n[nH]c2c1CN(C(=O)Cc1nn[n-]n1)CC2	ZINC001270789185	775508769	/nfs/dbraw/zinc/50/87/69/775508769.db2.gz	ONNZHOLGQXVMLG-UHFFFAOYSA-N	-1	1	304.314	-1.248	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC2(C[C@@H]2C(=O)NCc2c[nH]cn2)C1	ZINC001270789179	775509012	/nfs/dbraw/zinc/50/90/12/775509012.db2.gz	OISHMJXUZZRGAW-SECBINFHSA-N	-1	1	316.325	-1.370	20	0		DAADMM
C[C@@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)Cc1nn[n-]n1	ZINC001270788982	775509756	/nfs/dbraw/zinc/50/97/56/775509756.db2.gz	KPAFWAFHTNCHDS-ZCFIWIBFSA-N	-1	1	305.302	-2.094	20	0		DAADMM
COCCN(C)C(=O)C12CC(NC(=O)Cc3nn[n-]n3)(C1)C2	ZINC001270787970	775509897	/nfs/dbraw/zinc/50/98/97/775509897.db2.gz	CGPIRRYOVIKXLF-UHFFFAOYSA-N	-1	1	308.342	-1.114	20	0		DAADMM
Cn1nnnc1NC(=O)[C@@H]1CC12CN(C(=O)Cc1nn[n-]n1)C2	ZINC001270784943	775509989	/nfs/dbraw/zinc/50/99/89/775509989.db2.gz	OABBDTIWHVXQOF-LURJTMIESA-N	-1	1	318.301	-2.247	20	0		DAADMM
CN(C)C(=O)CNC(=O)[C@H]1CC12CN(C(=O)Cc1nn[n-]n1)C2	ZINC001270788325	775510012	/nfs/dbraw/zinc/51/00/12/775510012.db2.gz	FBCKMYIVFJGIDJ-MRVPVSSYSA-N	-1	1	321.341	-2.205	20	0		DAADMM
CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CC(N)=O	ZINC001212069098	775634578	/nfs/dbraw/zinc/63/45/78/775634578.db2.gz	OOTAOVMOUMNHGR-HTQZYQBOSA-N	-1	1	312.330	-2.701	20	0		DAADMM
C[C@H](C(=O)N(CCO)CCNCc1n[nH]c(=O)[n-]1)n1cccn1	ZINC001272116104	775637549	/nfs/dbraw/zinc/63/75/49/775637549.db2.gz	BMYSNIWHDGCOKS-SNVBAGLBSA-N	-1	1	323.357	-1.122	20	0		DAADMM
Cc1nn[nH]c1C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C	ZINC001088788306	775655651	/nfs/dbraw/zinc/65/56/51/775655651.db2.gz	CWMQZSRNDRIREZ-BDAKNGLRSA-N	-1	1	320.357	-1.072	20	0		DAADMM
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001088793786	775657918	/nfs/dbraw/zinc/65/79/18/775657918.db2.gz	RSILZDXPEUDJFY-BBBLOLIVSA-N	-1	1	322.369	-1.677	20	0		DAADMM
C[C@@H]1[C@@H](NC(=O)Cn2cncn2)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001089022766	775738013	/nfs/dbraw/zinc/73/80/13/775738013.db2.gz	MUMGUQDVGDUVSY-ZJUUUORDSA-N	-1	1	320.357	-1.521	20	0		DAADMM
CCn1cnc(C(=O)N(CCO)CCNCc2n[nH]c(=O)[n-]2)c1	ZINC001272295296	775745787	/nfs/dbraw/zinc/74/57/87/775745787.db2.gz	OMCGHNGZLFDAQM-UHFFFAOYSA-N	-1	1	323.357	-1.049	20	0		DAADMM
CC(=O)N1CC[C@@H](n2cc(CNCc3nc(=O)n(C)[n-]3)nn2)C1	ZINC001089572136	775810180	/nfs/dbraw/zinc/81/01/80/775810180.db2.gz	LUHDXZGBZJBEHG-LLVKDONJSA-N	-1	1	320.357	-1.217	20	0		DAADMM
CC(C)(C)n1nnc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)n1	ZINC001127764843	775861722	/nfs/dbraw/zinc/86/17/22/775861722.db2.gz	DBTRWBFPNWBEAN-UHFFFAOYSA-N	-1	1	309.334	-1.229	20	0		DAADMM
Cn1[nH]c(C[N@H+]2CC[C@@]3(CNC(=O)C(N)=O)CCC[C@@H]23)nc1=O	ZINC001107530354	775866265	/nfs/dbraw/zinc/86/62/65/775866265.db2.gz	NBZQJGQRGFTAEN-YMTOWFKASA-N	-1	1	322.369	-1.546	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3ccncn3)C2)nc1=O	ZINC001077865024	775914984	/nfs/dbraw/zinc/91/49/84/775914984.db2.gz	OERQAYUDKLHYTG-NXEZZACHSA-N	-1	1	319.325	-2.127	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)C(C)(F)F)[C@@H](O)C2)nc1=O	ZINC001089998705	775949345	/nfs/dbraw/zinc/94/93/45/775949345.db2.gz	XBDQATHCPVQRNF-YUMQZZPRSA-N	-1	1	319.312	-1.185	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)C(C)(C)F)[C@@H](O)C2)nc1=O	ZINC001090000839	775949567	/nfs/dbraw/zinc/94/95/67/775949567.db2.gz	LWFOOTJNQBKJEJ-BDAKNGLRSA-N	-1	1	315.349	-1.092	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)CC3CC3)[C@@H](O)C2)nc1=O	ZINC001090010793	775950140	/nfs/dbraw/zinc/95/01/40/775950140.db2.gz	QRFMMZFXCPVCGW-QWRGUYRKSA-N	-1	1	309.370	-1.040	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)C3CCC3)[C@@H](O)C2)nc1=O	ZINC001090002304	775950707	/nfs/dbraw/zinc/95/07/07/775950707.db2.gz	ONNCBPDCFFLEMM-QWRGUYRKSA-N	-1	1	309.370	-1.040	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)[C@@H]3CC34CCC4)[C@@H](O)C2)nc1=O	ZINC001083819672	775951356	/nfs/dbraw/zinc/95/13/56/775951356.db2.gz	KMZKTTUTBYAXLO-AXFHLTTASA-N	-1	1	321.381	-1.040	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)[C@H]3CC34CCC4)[C@@H](O)C2)nc1=O	ZINC001083819673	775952051	/nfs/dbraw/zinc/95/20/51/775952051.db2.gz	KMZKTTUTBYAXLO-MXWKQRLJSA-N	-1	1	321.381	-1.040	20	0		DAADMM
NC(=O)CN1C[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)[C@@H](O)C1	ZINC001083839744	775978418	/nfs/dbraw/zinc/97/84/18/775978418.db2.gz	OHELJECALPOWSF-ZJUUUORDSA-N	-1	1	321.337	-1.680	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3cn[nH]c3)[C@H](O)C2)nc1=O	ZINC001090110585	775983055	/nfs/dbraw/zinc/98/30/55/775983055.db2.gz	AEPMVFFEQUFVJP-VHSXEESVSA-N	-1	1	321.341	-1.803	20	0		DAADMM
CC(C)N1C[C@@H](C(=O)NCCNCc2n[nH]c(=O)[n-]2)CC1=O	ZINC001128639825	776002877	/nfs/dbraw/zinc/00/28/77/776002877.db2.gz	LIVGNUAWGUXFHF-VIFPVBQESA-N	-1	1	310.358	-1.027	20	0		DAADMM
COCC(=O)NCCC(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001128690964	776008606	/nfs/dbraw/zinc/00/86/06/776008606.db2.gz	AIPRMWCRIATGLT-UHFFFAOYSA-N	-1	1	300.319	-2.131	20	0		DAADMM
Cn1ncc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)n1	ZINC001083860417	776034729	/nfs/dbraw/zinc/03/47/29/776034729.db2.gz	PZAPHCWDHCAJJN-BDAKNGLRSA-N	-1	1	322.329	-2.788	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3ncccn3)[C@@H](O)C2)nc1=O	ZINC001083880133	776073864	/nfs/dbraw/zinc/07/38/64/776073864.db2.gz	SZAARJGTTPEUQE-BDAKNGLRSA-N	-1	1	319.325	-2.127	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)Cc3nc[nH]n3)[C@@H](O)C2)nc1=O	ZINC001083932885	776108339	/nfs/dbraw/zinc/10/83/39/776108339.db2.gz	PHKADEXAWQWKGT-SFYZADRCSA-N	-1	1	322.329	-2.870	20	0		DAADMM
Cn1ccc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)n1	ZINC001084053895	776160866	/nfs/dbraw/zinc/16/08/66/776160866.db2.gz	ORNPEDAXCZZITE-ZJUUUORDSA-N	-1	1	321.341	-2.183	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)c4cnon4)[C@@H]3C2)nc1=O	ZINC001084731401	776185791	/nfs/dbraw/zinc/18/57/91/776185791.db2.gz	XICDIRPGQSWWRN-PSASIEDQSA-N	-1	1	319.325	-1.162	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)CCCF)[C@H](O)C2)nc1=O	ZINC001099952875	776205923	/nfs/dbraw/zinc/20/59/23/776205923.db2.gz	ZYMDCSLUKMMGCV-VHSXEESVSA-N	-1	1	315.349	-1.091	20	0		DAADMM
Cc1n[nH]nc1C(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001085754020	776221121	/nfs/dbraw/zinc/22/11/21/776221121.db2.gz	WMCGPYCPDFXOHK-SECBINFHSA-N	-1	1	320.357	-1.119	20	0		DAADMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1nnn(C)n1	ZINC001085771095	776224005	/nfs/dbraw/zinc/22/40/05/776224005.db2.gz	UWMHRBRDAXKFSQ-QMMMGPOBSA-N	-1	1	321.345	-2.022	20	0		DAADMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@H]1C[C@H]1C(N)=O	ZINC001085821166	776228263	/nfs/dbraw/zinc/22/82/63/776228263.db2.gz	VMLKXJGYEJRNHS-AEJSXWLSSA-N	-1	1	322.369	-1.738	20	0		DAADMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1cnn(C)n1	ZINC001085870447	776229147	/nfs/dbraw/zinc/22/91/47/776229147.db2.gz	UBZBQMIMJYNZMV-VIFPVBQESA-N	-1	1	320.357	-1.417	20	0		DAADMM
C[C@@]1(CNC(=O)c2nc[nH]n2)CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001108287412	776271905	/nfs/dbraw/zinc/27/19/05/776271905.db2.gz	SKEBWFWBZXSJSH-GFCCVEGCSA-N	-1	1	322.329	-1.351	20	0		DAADMM
C[C@@]1(CNC(=O)c2ncn[nH]2)CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001108287412	776271907	/nfs/dbraw/zinc/27/19/07/776271907.db2.gz	SKEBWFWBZXSJSH-GFCCVEGCSA-N	-1	1	322.329	-1.351	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(CCCCCO)CC1	ZINC001169066057	776284962	/nfs/dbraw/zinc/28/49/62/776284962.db2.gz	WOLQCSVZBRZGCR-UHFFFAOYSA-N	-1	1	313.358	-1.004	20	0		DAADMM
CNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1	ZINC001109192326	776327972	/nfs/dbraw/zinc/32/79/72/776327972.db2.gz	OLQURJTUQFHVLQ-UTLUCORTSA-N	-1	1	322.369	-1.534	20	0		DAADMM
CCNC(=O)CC(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001112776968	776374318	/nfs/dbraw/zinc/37/43/18/776374318.db2.gz	UZXRTRAWCHRJRY-UHFFFAOYSA-N	-1	1	310.358	-1.721	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001113824811	776425813	/nfs/dbraw/zinc/42/58/13/776425813.db2.gz	BXHVBAASCGEQJZ-QAHWYCSRSA-N	-1	1	322.369	-1.821	20	0		DAADMM
COC(=O)NCC(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001113944535	776437488	/nfs/dbraw/zinc/43/74/88/776437488.db2.gz	FDXJCVHBSOTZFL-VROVMSAKSA-N	-1	1	324.341	-1.989	20	0		DAADMM
CNC(=O)CC(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001114179188	776457583	/nfs/dbraw/zinc/45/75/83/776457583.db2.gz	ZPHKIMLMNZSHEH-JDICNCQASA-N	-1	1	308.342	-2.209	20	0		DAADMM
Cc1cnc2nc(C(=O)NCCNCc3n[nH]c(=O)[n-]3)nn2c1	ZINC001130076879	776494416	/nfs/dbraw/zinc/49/44/16/776494416.db2.gz	GDWIHTPQADKSIF-UHFFFAOYSA-N	-1	1	317.313	-1.224	20	0		DAADMM
Cn1nccc1COCC(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001130120895	776495711	/nfs/dbraw/zinc/49/57/11/776495711.db2.gz	NKDDFMGZMMVLFP-UHFFFAOYSA-N	-1	1	309.330	-1.334	20	0		DAADMM
COc1cc(OC)nc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)n1	ZINC001130287171	776500587	/nfs/dbraw/zinc/50/05/87/776500587.db2.gz	VEHIKCWORLZSCC-UHFFFAOYSA-N	-1	1	323.313	-1.163	20	0		DAADMM
O=C(CNCCNC(=O)c1n[nH]c(=O)[n-]c1=O)Nc1ccon1	ZINC001130865109	776538754	/nfs/dbraw/zinc/53/87/54/776538754.db2.gz	PVGBWMQHRDRFPI-UHFFFAOYSA-N	-1	1	323.269	-1.771	20	0		DAADMM
CS(=O)(=O)CCNCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001130863117	776540709	/nfs/dbraw/zinc/54/07/09/776540709.db2.gz	LAXCWBMTAWDIPW-UHFFFAOYSA-N	-1	1	305.316	-2.353	20	0		DAADMM
CCn1nnc(C)c1CNCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001130863439	776541563	/nfs/dbraw/zinc/54/15/63/776541563.db2.gz	PUICYZSPFFLPJO-UHFFFAOYSA-N	-1	1	322.329	-1.278	20	0		DAADMM
CC(=O)N1CCC[C@@H](C(=O)NCCNCc2n[nH]c(=O)[n-]2)C1	ZINC001131013680	776552055	/nfs/dbraw/zinc/55/20/55/776552055.db2.gz	CCZKSSOPQXBZAT-SNVBAGLBSA-N	-1	1	310.358	-1.025	20	0		DAADMM
Cc1nc2n(n1)C[C@@H](C(=O)NCCNCc1n[nH]c(=O)[n-]1)CC2	ZINC001131636450	776578704	/nfs/dbraw/zinc/57/87/04/776578704.db2.gz	KQYFDUVGYVHJOV-VIFPVBQESA-N	-1	1	320.357	-1.121	20	0		DAADMM
Cc1nn(C)c(=O)c(C(=O)NCCNCc2n[nH]c(=O)[n-]2)c1C	ZINC001132174128	776608424	/nfs/dbraw/zinc/60/84/24/776608424.db2.gz	BKRFFHPPHTVVEM-UHFFFAOYSA-N	-1	1	321.341	-1.260	20	0		DAADMM
Cn1nnc2c1C[C@@H](C(=O)NCCNCc1n[nH]c(=O)[n-]1)CC2	ZINC001132921409	776644949	/nfs/dbraw/zinc/64/49/49/776644949.db2.gz	RTEUJVONJGZPLJ-QMMMGPOBSA-N	-1	1	320.357	-1.350	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)[C@@H]1CCc2nnnn2CC1	ZINC001134098389	776690839	/nfs/dbraw/zinc/69/08/39/776690839.db2.gz	BVGLRGBTPNGRDS-MRVPVSSYSA-N	-1	1	321.345	-1.645	20	0		DAADMM
O=C(CNC(=O)c1cccnc1)NCCNCc1n[nH]c(=O)[n-]1	ZINC001134150667	776692580	/nfs/dbraw/zinc/69/25/80/776692580.db2.gz	NJQJQHRQHXVVGT-UHFFFAOYSA-N	-1	1	319.325	-1.459	20	0		DAADMM
Cc1c[nH]c(CC(N)=O)c1C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001134139304	776693676	/nfs/dbraw/zinc/69/36/76/776693676.db2.gz	RXBFJEICOBKZKJ-UHFFFAOYSA-N	-1	1	321.341	-1.306	20	0		DAADMM
CC(C)(C(=O)NCCNCc1n[nH]c(=O)[n-]1)N1CCOCC1	ZINC001135347035	776751700	/nfs/dbraw/zinc/75/17/00/776751700.db2.gz	KZLDJGHSOKGVRR-UHFFFAOYSA-N	-1	1	312.374	-1.173	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCNCc1nncs1	ZINC001135391696	776752341	/nfs/dbraw/zinc/75/23/41/776752341.db2.gz	YZIYMTNYASSXPR-UHFFFAOYSA-N	-1	1	324.366	-1.316	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCNCc1cnsn1	ZINC001135387704	776754035	/nfs/dbraw/zinc/75/40/35/776754035.db2.gz	VHHWJIYKGXXIGO-UHFFFAOYSA-N	-1	1	324.366	-1.316	20	0		DAADMM
Cc1nonc1CNCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001135387722	776754699	/nfs/dbraw/zinc/75/46/99/776754699.db2.gz	VQQSSMMDAWYTQR-UHFFFAOYSA-N	-1	1	322.325	-1.476	20	0		DAADMM
Cn1cc(CNCCNC(=O)CCn2cc[n-]c(=O)c2=O)nn1	ZINC001135390594	776755140	/nfs/dbraw/zinc/75/51/40/776755140.db2.gz	NLPBZADRUFWWNZ-UHFFFAOYSA-N	-1	1	321.341	-2.039	20	0		DAADMM
O=C(N[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ncn[n-]1	ZINC001090658398	776809569	/nfs/dbraw/zinc/80/95/69/776809569.db2.gz	XVVNXAJUJKKKIL-BQBZGAKWSA-N	-1	1	308.302	-2.006	20	0		DAADMM
O=C(N[C@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ncn[n-]1	ZINC001090658398	776809579	/nfs/dbraw/zinc/80/95/79/776809579.db2.gz	XVVNXAJUJKKKIL-BQBZGAKWSA-N	-1	1	308.302	-2.006	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3cnon3)[C@@H](O)C2)nc1=O	ZINC001090663186	776814126	/nfs/dbraw/zinc/81/41/26/776814126.db2.gz	JSUHMOGLYQCIOH-APPZFPTMSA-N	-1	1	323.313	-2.143	20	0		DAADMM
O=C(N[C@H]1CCN(CCF)C[C@H]1O)c1cc(=O)n2[n-]cnc2n1	ZINC001090724098	776831778	/nfs/dbraw/zinc/83/17/78/776831778.db2.gz	FMYUPYRPJDGAQO-WCBMZHEXSA-N	-1	1	324.316	-1.448	20	0		DAADMM
O=C(CN1CCCC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O	ZINC001090819137	776856389	/nfs/dbraw/zinc/85/63/89/776856389.db2.gz	ZQFVLNFEGFWMPG-GHMZBOCLSA-N	-1	1	324.385	-1.343	20	0		DAADMM
O=C(CN1CCCCC(=O)C1=O)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001292975411	777956502	/nfs/dbraw/zinc/95/65/02/777956502.db2.gz	BAYYGMMDRDYZLX-SNVBAGLBSA-N	-1	1	322.325	-1.319	20	0		DAADMM
Cn1cc([C@@H](O)CNC(=O)CCn2cc[n-]c(=O)c2=O)cn1	ZINC001294723297	777987772	/nfs/dbraw/zinc/98/77/72/777987772.db2.gz	WSCXEMDLQKSVNM-JTQLQIEISA-N	-1	1	307.310	-1.490	20	0		DAADMM
COCC(=O)NC[C@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001295401072	778001362	/nfs/dbraw/zinc/00/13/62/778001362.db2.gz	MTPLIRJBJLQBIC-VIFPVBQESA-N	-1	1	312.326	-1.806	20	0		DAADMM
C[C@@H](CNC(=O)C1CC1)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001295401329	778001464	/nfs/dbraw/zinc/00/14/64/778001464.db2.gz	LEMZCQBUYQMRPJ-VIFPVBQESA-N	-1	1	308.338	-1.042	20	0		DAADMM
C[C@H](CNC(=O)C1CC1)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001295401172	778002143	/nfs/dbraw/zinc/00/21/43/778002143.db2.gz	LEMZCQBUYQMRPJ-SECBINFHSA-N	-1	1	308.338	-1.042	20	0		DAADMM
O=C(/C=C/Cn1cncn1)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001296956463	778032562	/nfs/dbraw/zinc/03/25/62/778032562.db2.gz	XTCHXISKDMTSHB-OWOJBTEDSA-N	-1	1	304.314	-1.142	20	0		DAADMM
COC[C@@H](NC(=O)CN1CCCCC(=O)C1=O)c1nn[n-]n1	ZINC001303579724	778098406	/nfs/dbraw/zinc/09/84/06/778098406.db2.gz	CTRRHVISPNARLT-MRVPVSSYSA-N	-1	1	310.314	-1.415	20	0		DAADMM
O=C([O-])[C@@]1(C(=O)N2CC[C@](O)(C(F)(F)F)C2)CNCCO1	ZINC001121966373	779553599	/nfs/dbraw/zinc/55/35/99/779553599.db2.gz	QDSIROYMYMYUOP-ZJUUUORDSA-N	-1	1	312.244	-1.045	20	0		DAADMM
O=C(CN1C(=O)CCC1=O)N1CCSC[C@H]1c1nn[n-]n1	ZINC001123738484	779585125	/nfs/dbraw/zinc/58/51/25/779585125.db2.gz	VHMSHUYUBGOWAU-ZETCQYMHSA-N	-1	1	310.339	-1.035	20	0		DAADMM
O=C(CN1C(=O)CCC1=O)N1CCSC[C@@H]1c1nn[n-]n1	ZINC001123738483	779586107	/nfs/dbraw/zinc/58/61/07/779586107.db2.gz	VHMSHUYUBGOWAU-SSDOTTSWSA-N	-1	1	310.339	-1.035	20	0		DAADMM
Cn1nc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cc1C=O	ZINC001138990865	779612136	/nfs/dbraw/zinc/61/21/36/779612136.db2.gz	CTGCCBZSUQUOIV-UHFFFAOYSA-N	-1	1	305.298	-1.131	20	0		DAADMM
Cc1nc([C@@H](C)NCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n[nH]1	ZINC001149160844	779614300	/nfs/dbraw/zinc/61/43/00/779614300.db2.gz	ILIQLPXLUAEFQT-ZCFIWIBFSA-N	-1	1	310.318	-1.417	20	0		DAADMM
O=C(CN1CC(=O)NC1=O)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21	ZINC001142093449	779619289	/nfs/dbraw/zinc/61/92/89/779619289.db2.gz	FSFGSFABIGVTBM-UHFFFAOYSA-N	-1	1	307.226	-1.794	20	0		DAADMM
Cc1cnc(CNCCNC(=O)Cn2c(=O)[n-][nH]c2=O)cn1	ZINC001149161251	779621811	/nfs/dbraw/zinc/62/18/11/779621811.db2.gz	RFTSEOONXFUVFD-UHFFFAOYSA-N	-1	1	307.314	-1.306	20	0		DAADMM
COCCn1cc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)cn1	ZINC001149339060	779630225	/nfs/dbraw/zinc/63/02/25/779630225.db2.gz	TXCVFJWDXGUNIK-UHFFFAOYSA-N	-1	1	309.330	-1.127	20	0		DAADMM
Cn1[n-]c(CN2CCCO[C@@H](CNC(=O)C(N)=O)C2)nc1=O	ZINC001150211849	779649174	/nfs/dbraw/zinc/64/91/74/779649174.db2.gz	LQJBWWNNVQGTAH-QMMMGPOBSA-N	-1	1	312.330	-2.699	20	0		DAADMM
O=C(CC[C@H]1NC(=O)NC1=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001150399983	779656567	/nfs/dbraw/zinc/65/65/67/779656567.db2.gz	JYWDMPMSDHVUKU-ZCFIWIBFSA-N	-1	1	311.302	-2.296	20	0		DAADMM
CCCn1nc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)ccc1=O	ZINC001150677063	779664758	/nfs/dbraw/zinc/66/47/58/779664758.db2.gz	FEMLVGCGSALASE-UHFFFAOYSA-N	-1	1	321.341	-1.003	20	0		DAADMM
O=C(CN1CCCCC(=O)C1=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001150811366	779666439	/nfs/dbraw/zinc/66/64/39/779666439.db2.gz	VLKNKSHTCAEKBP-VIFPVBQESA-N	-1	1	322.325	-1.319	20	0		DAADMM
O=C(CNC(=O)Cn1cncn1)NCCNCc1n[nH]c(=O)[n-]1	ZINC001152254267	779689368	/nfs/dbraw/zinc/68/93/68/779689368.db2.gz	CAPBLACSKRMAMK-UHFFFAOYSA-N	-1	1	323.317	-2.876	20	0		DAADMM
CCCC[C@H](NC(N)=O)C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001153331157	779703022	/nfs/dbraw/zinc/70/30/22/779703022.db2.gz	PSOXMNBHGGECFK-QMMMGPOBSA-N	-1	1	313.362	-1.057	20	0		DAADMM
CCCC[C@@H](NC(N)=O)C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001153331156	779703725	/nfs/dbraw/zinc/70/37/25/779703725.db2.gz	PSOXMNBHGGECFK-MRVPVSSYSA-N	-1	1	313.362	-1.057	20	0		DAADMM
CCN(Cc1cc(=O)n2[n-]ccc2n1)[C@H](C)CNC(=O)C(N)=O	ZINC001154952547	779729043	/nfs/dbraw/zinc/72/90/43/779729043.db2.gz	FZHAEWZRQPUKHV-SECBINFHSA-N	-1	1	320.353	-1.166	20	0		DAADMM
CN1CC(=O)N(CC(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)C1=O	ZINC001155134100	779730214	/nfs/dbraw/zinc/73/02/14/779730214.db2.gz	AOQVATJZEXLUAK-VIFPVBQESA-N	-1	1	321.341	-1.125	20	0		DAADMM
NS(=O)(=O)c1ccc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)nn1	ZINC001159194659	779788223	/nfs/dbraw/zinc/78/82/23/779788223.db2.gz	HNWMQVWTUARUPY-UHFFFAOYSA-N	-1	1	324.282	-1.103	20	0		DAADMM
N[C@@H](Cc1nnn[n-]1)C(=O)N1CC2CC1(C(=O)N1CCCC1)C2	ZINC001159687914	779795196	/nfs/dbraw/zinc/79/51/96/779795196.db2.gz	LAMCLLJHTRIOMB-XIRUVYRFSA-N	-1	1	319.369	-1.317	20	0		DAADMM
Cn1ncc(CNCCCNC(=O)c2cnc([O-])n(C)c2=O)n1	ZINC001163782184	779870218	/nfs/dbraw/zinc/87/02/18/779870218.db2.gz	ZUUKCKSBNXIAHE-UHFFFAOYSA-N	-1	1	321.341	-1.476	20	0		DAADMM
Cc1nnc(CNCCCNC(=O)c2cnc([O-])n(C)c2=O)[nH]1	ZINC001163782174	779870723	/nfs/dbraw/zinc/87/07/23/779870723.db2.gz	ZLLYETXSNUKZQJ-UHFFFAOYSA-N	-1	1	321.341	-1.178	20	0		DAADMM
Cn1nnc(C(=O)NCCC2(CNCc3n[nH]c(=O)[n-]3)CC2)n1	ZINC001166672597	779892586	/nfs/dbraw/zinc/89/25/86/779892586.db2.gz	QEBQMJYJNUWDKB-UHFFFAOYSA-N	-1	1	321.345	-1.276	20	0		DAADMM
COC(=O)NCC(=O)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001207541444	779922207	/nfs/dbraw/zinc/92/22/07/779922207.db2.gz	GMTMKFKDLYVPRT-MRVPVSSYSA-N	-1	1	312.330	-1.053	20	0		DAADMM
NC(=O)NCCC(=O)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001211001588	779966880	/nfs/dbraw/zinc/96/68/80/779966880.db2.gz	NPKCZAZJCYXFJM-MRVPVSSYSA-N	-1	1	311.346	-1.351	20	0		DAADMM
C[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001214216631	779992268	/nfs/dbraw/zinc/99/22/68/779992268.db2.gz	FYJFIZOPPIKIRQ-PSASIEDQSA-N	-1	1	322.369	-1.027	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)nc1=O	ZINC001219167433	780061289	/nfs/dbraw/zinc/06/12/89/780061289.db2.gz	XBULLRACLGGJGQ-RQJHMYQMSA-N	-1	1	313.318	-3.562	20	0		DAADMM
CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001219243277	780071136	/nfs/dbraw/zinc/07/11/36/780071136.db2.gz	ZOGPFCKSBOFOKU-AEJSXWLSSA-N	-1	1	313.358	-1.805	20	0		DAADMM
CCOCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001219347936	780082450	/nfs/dbraw/zinc/08/24/50/780082450.db2.gz	YHHUQRLVRPOKEM-ZJUUUORDSA-N	-1	1	313.358	-1.804	20	0		DAADMM
CO[C@H](C)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001219336522	780082603	/nfs/dbraw/zinc/08/26/03/780082603.db2.gz	AJTAEMSRZQKIEN-BBBLOLIVSA-N	-1	1	313.358	-1.805	20	0		DAADMM
CNC(=O)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001219507959	780106569	/nfs/dbraw/zinc/10/65/69/780106569.db2.gz	FVHNABVDQNYKJU-SFYZADRCSA-N	-1	1	312.330	-3.094	20	0		DAADMM
CC(C)C[C@H](NC(=O)CN)C(=O)N[C@H]1SC(=O)[N-]C1=O	ZINC001219903962	780162383	/nfs/dbraw/zinc/16/23/83/780162383.db2.gz	LSLHOBAGNQWFDI-WKEGUHRASA-N	-1	1	302.356	-1.099	20	0		DAADMM
CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H]1SC(=O)[N-]C1=O	ZINC001219903961	780162979	/nfs/dbraw/zinc/16/29/79/780162979.db2.gz	LSLHOBAGNQWFDI-QUBYGPBYSA-N	-1	1	302.356	-1.099	20	0		DAADMM
N[C@@H](Cc1nnn[n-]1)C(=O)NCC(=O)N1CCc2ccccc21	ZINC001219978795	780168749	/nfs/dbraw/zinc/16/87/49/780168749.db2.gz	UMWRARXSJDUCNC-JTQLQIEISA-N	-1	1	315.337	-1.225	20	0		DAADMM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]1CCCN1C(=O)CN	ZINC001220104254	780178874	/nfs/dbraw/zinc/17/88/74/780178874.db2.gz	ALVLWRPKBKCNDI-IUCAKERBSA-N	-1	1	315.326	-1.541	20	0		DAADMM
CC(C)(C)OC[C@H](N)C(=O)NCC(=O)NCS(=O)(=O)[O-]	ZINC001220243333	780193516	/nfs/dbraw/zinc/19/35/16/780193516.db2.gz	SCOPHOFXTNUMFK-ZETCQYMHSA-N	-1	1	311.360	-1.794	20	0		DAADMM
O=C(CCc1c[nH]nn1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001220389535	780207892	/nfs/dbraw/zinc/20/78/92/780207892.db2.gz	OOHADVCUKZBKIS-BDAKNGLRSA-N	-1	1	322.329	-2.078	20	0		DAADMM
O=C(CCc1cnn[nH]1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001220389535	780207894	/nfs/dbraw/zinc/20/78/94/780207894.db2.gz	OOHADVCUKZBKIS-BDAKNGLRSA-N	-1	1	322.329	-2.078	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)CNC(N)=O)[C@@H]3C2)nc1=O	ZINC001221259807	780286600	/nfs/dbraw/zinc/28/66/00/780286600.db2.gz	WBTSIPZPAJOBBC-RKDXNWHRSA-N	-1	1	323.357	-2.191	20	0		DAADMM
Cn1[n-]nnc1=NC(=O)C1=NO[C@@H]2CN(C[C@H]3CCOC3)C[C@H]12	ZINC001277277243	780346414	/nfs/dbraw/zinc/34/64/14/780346414.db2.gz	AEVUHCKOTPLTAB-KXUCPTDWSA-N	-1	1	321.341	-1.706	20	0		DAADMM
Cn1[n-]c(CN2CCC(NC(=O)CCCC(N)=O)CC2)nc1=O	ZINC001230450392	780366990	/nfs/dbraw/zinc/36/69/90/780366990.db2.gz	IKWQDCSPEZGAAP-UHFFFAOYSA-N	-1	1	324.385	-1.155	20	0		DAADMM
CC(=O)NCC(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001230620843	780368424	/nfs/dbraw/zinc/36/84/24/780368424.db2.gz	CSFDYSLYXNCCAO-SNVBAGLBSA-N	-1	1	310.358	-1.723	20	0		DAADMM
CC(=O)NCC(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001230620842	780368577	/nfs/dbraw/zinc/36/85/77/780368577.db2.gz	CSFDYSLYXNCCAO-JTQLQIEISA-N	-1	1	310.358	-1.723	20	0		DAADMM
O=C([O-])C[C@H](C(=O)Oc1[nH+][nH]cc2nncc1-2)[C@@H](O)C(=O)[O-]	ZINC001230901788	780376048	/nfs/dbraw/zinc/37/60/48/780376048.db2.gz	UOPNDOSHEXIUSV-RNHFCUEFSA-N	-1	1	310.222	-1.205	20	0		DAADMM
CCC(=O)NCC(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001231225952	780379892	/nfs/dbraw/zinc/37/98/92/780379892.db2.gz	KUNRXZHHSMJTSP-JTQLQIEISA-N	-1	1	324.385	-1.333	20	0		DAADMM
CCNC(=O)CC(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001233819624	780396827	/nfs/dbraw/zinc/39/68/27/780396827.db2.gz	NOEBBQXLWDJXBD-SNVBAGLBSA-N	-1	1	324.385	-1.333	20	0		DAADMM
CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001233819622	780398630	/nfs/dbraw/zinc/39/86/30/780398630.db2.gz	NOEBBQXLWDJXBD-JTQLQIEISA-N	-1	1	324.385	-1.333	20	0		DAADMM
[NH3+]CCS(=O)(=O)[N-]c1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001237701869	780430477	/nfs/dbraw/zinc/43/04/77/780430477.db2.gz	XAXILDWCSGMNJW-UHFFFAOYSA-N	-1	1	305.337	-1.181	20	0		DAADMM
C[S@@](=O)CCCNC(=S)Nc1c(O)[nH]c(=O)[n-]c1=S	ZINC001246693243	780457016	/nfs/dbraw/zinc/45/70/16/780457016.db2.gz	CJODXKAICJYBJW-QJWWWBAISA-N	-1	1	322.437	-1.246	20	0		DAADMM
C[S@](=O)CCCNC(=S)Nc1c(O)[nH]c(=O)[n-]c1=S	ZINC001246693242	780457237	/nfs/dbraw/zinc/45/72/37/780457237.db2.gz	CJODXKAICJYBJW-BQLJRSNSSA-N	-1	1	322.437	-1.246	20	0		DAADMM
C[C@]1(C2CC2)NC(=O)N(CC(=O)NN2CC(=O)[N-]C2=O)C1=O	ZINC001248613121	780461484	/nfs/dbraw/zinc/46/14/84/780461484.db2.gz	VYGUTVFNCFXVPL-GFCCVEGCSA-N	-1	1	309.282	-1.710	20	0		DAADMM
Cn1[n-]c(COC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)nc1=O	ZINC001254936970	780493928	/nfs/dbraw/zinc/49/39/28/780493928.db2.gz	YHRCGTPHSQRPGF-ZDUSSCGKSA-N	-1	1	323.309	-1.128	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)C(=O)NCC(=O)NC3CC3)ccnc1-2	ZINC001259464898	780526148	/nfs/dbraw/zinc/52/61/48/780526148.db2.gz	RSTXBWOPUKWQFI-UHFFFAOYSA-N	-1	1	316.321	-1.325	20	0		DAADMM
CN(C)C(=O)c1nc(C[N-]S(=O)(=O)c2ccn(C)n2)no1	ZINC001259946650	780527595	/nfs/dbraw/zinc/52/75/95/780527595.db2.gz	VGTRBMPMRQFZQO-UHFFFAOYSA-N	-1	1	314.327	-1.017	20	0		DAADMM
COC(=O)c1cc([N-]S(=O)(=O)CS(C)(=O)=O)n(C)n1	ZINC001260584619	780532031	/nfs/dbraw/zinc/53/20/31/780532031.db2.gz	PDTNHBANHJOIAQ-UHFFFAOYSA-N	-1	1	311.341	-1.050	20	0		DAADMM
CN(C)C(=O)c1nc(C[N-]S(=O)(=O)c2cn[nH]c2)no1	ZINC001260963438	780534890	/nfs/dbraw/zinc/53/48/90/780534890.db2.gz	YKYQWPAWCITFGD-UHFFFAOYSA-N	-1	1	300.300	-1.027	20	0		DAADMM
O=C(/C=C\CN1CCOCC1)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001262185654	780568040	/nfs/dbraw/zinc/56/80/40/780568040.db2.gz	XAIFBLNJKHTSKJ-RFMOXSJOSA-N	-1	1	308.342	-1.012	20	0		DAADMM
NC(=O)CN1CCC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001265228914	780594585	/nfs/dbraw/zinc/59/45/85/780594585.db2.gz	MECAODPVFKWNDU-SNVBAGLBSA-N	-1	1	323.353	-2.007	20	0		DAADMM
O=C(Cn1cnnn1)NCCCN(Cc1n[nH]c(=O)[n-]1)C1CC1	ZINC001266120553	780619203	/nfs/dbraw/zinc/61/92/03/780619203.db2.gz	CRPYSMGTCGFFAS-UHFFFAOYSA-N	-1	1	321.345	-1.332	20	0		DAADMM
COCC(=O)N[C@H](C)CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001285616801	780880368	/nfs/dbraw/zinc/88/03/68/780880368.db2.gz	BXGHOTOLWBLFIS-SECBINFHSA-N	-1	1	312.326	-1.806	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCN(c2nc[nH]n2)CC1	ZINC001143875443	781364036	/nfs/dbraw/zinc/36/40/36/781364036.db2.gz	PJUDDVPPMLOETM-UHFFFAOYSA-N	-1	1	319.325	-1.606	20	0		DAADMM
COC1(CO)CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC001144246837	781367898	/nfs/dbraw/zinc/36/78/98/781367898.db2.gz	XCORPWOWBXUJLM-UHFFFAOYSA-N	-1	1	311.338	-1.073	20	0		DAADMM
Cn1ncnc1COCC(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001146191215	781410555	/nfs/dbraw/zinc/41/05/55/781410555.db2.gz	SQVDQLFKUAKFRW-UHFFFAOYSA-N	-1	1	310.318	-1.939	20	0		DAADMM
CCOC(=O)c1c[n-]c(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)n1	ZINC001146616734	781416466	/nfs/dbraw/zinc/41/64/66/781416466.db2.gz	KTXHNDFZWPHVJP-OPRDCNLKSA-N	-1	1	311.294	-1.062	20	0		DAADMM
CC(=O)N1CC[C@@](C)(C(=O)NCCNCc2n[nH]c(=O)[n-]2)C1	ZINC001146986882	781427267	/nfs/dbraw/zinc/42/72/67/781427267.db2.gz	RVJQYZKFKJSGIT-CYBMUJFWSA-N	-1	1	310.358	-1.025	20	0		DAADMM
Nc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc2n(n1)CCNC2=O	ZINC001147539992	781445237	/nfs/dbraw/zinc/44/52/37/781445237.db2.gz	PXKWOLQYCYAJES-UHFFFAOYSA-N	-1	1	305.254	-1.338	20	0		DAADMM
CN1C(=O)CN(CC(=O)NCCNCc2n[nH]c(=O)[n-]2)C1=O	ZINC001147645704	781450462	/nfs/dbraw/zinc/45/04/62/781450462.db2.gz	YSDJNUYZRUWJNK-UHFFFAOYSA-N	-1	1	311.302	-2.390	20	0		DAADMM
O=C(NCCNCc1cnon1)c1cc(=O)n2[n-]cnc2n1	ZINC001147712125	781454976	/nfs/dbraw/zinc/45/49/76/781454976.db2.gz	KMHKYDSAKLOFCQ-UHFFFAOYSA-N	-1	1	304.270	-1.680	20	0		DAADMM
Cn1ncc(CNCCNC(=O)c2cc(=O)n3[n-]cnc3n2)n1	ZINC001147712142	781456065	/nfs/dbraw/zinc/45/60/65/781456065.db2.gz	LLSFDCRRJFXABX-UHFFFAOYSA-N	-1	1	317.313	-1.934	20	0		DAADMM
Cc1ncc(CO)c(C(=O)NC2CN(S(C)(=O)=O)C2)c1[O-]	ZINC001147844515	781459196	/nfs/dbraw/zinc/45/91/96/781459196.db2.gz	RTSGUPUEODRBIX-UHFFFAOYSA-N	-1	1	315.351	-1.038	20	0		DAADMM
Cc1ccc(=O)n(CC(=O)NCCNCc2n[nH]c(=O)[n-]2)n1	ZINC001148557372	781473260	/nfs/dbraw/zinc/47/32/60/781473260.db2.gz	JLSQOBVPPFCKKR-UHFFFAOYSA-N	-1	1	307.314	-1.719	20	0		DAADMM
O=C(N[C@H]1CC(=O)N(C2CN(CCO)C2)C1)c1ncccc1[O-]	ZINC001094730395	781562258	/nfs/dbraw/zinc/56/22/58/781562258.db2.gz	AESGIWCGFFNWDE-JTQLQIEISA-N	-1	1	320.349	-1.206	20	0		DAADMM
Cc1nonc1CNCCCNC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001174713911	781598676	/nfs/dbraw/zinc/59/86/76/781598676.db2.gz	QZXSFXKDOWGOIE-UHFFFAOYSA-N	-1	1	311.302	-1.323	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N[C@H](CO)CC1OCCO1	ZINC001176633296	781620374	/nfs/dbraw/zinc/62/03/74/781620374.db2.gz	YVQFOLCLHTXOPW-VIFPVBQESA-N	-1	1	313.310	-1.833	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21	ZINC001176840617	781623236	/nfs/dbraw/zinc/62/32/36/781623236.db2.gz	UKCYVQLCTDWENZ-GMTAPVOTSA-N	-1	1	320.353	-1.116	20	0		DAADMM
O=C(CN1CCN(C(=O)Cc2nn[n-]n2)CC1)N1CCCC1	ZINC001176841208	781623362	/nfs/dbraw/zinc/62/33/62/781623362.db2.gz	UJYIUFXOLZDMOZ-UHFFFAOYSA-N	-1	1	307.358	-1.491	20	0		DAADMM
O=C(Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21)[C@@H]1CSCC(=O)N1	ZINC001180552921	781673410	/nfs/dbraw/zinc/67/34/10/781673410.db2.gz	FRYDUQSCWPEBEY-VKHMYHEASA-N	-1	1	310.295	-1.114	20	0		DAADMM
Cn1cc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)c(=O)[nH]c1=O	ZINC001150978451	781677589	/nfs/dbraw/zinc/67/75/89/781677589.db2.gz	UBLOTJHWCMPCHS-UHFFFAOYSA-N	-1	1	309.286	-2.171	20	0		DAADMM
C[C@@H](C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N)N(C)C	ZINC001180858644	781678840	/nfs/dbraw/zinc/67/88/40/781678840.db2.gz	QLYCYDSSLJQOCU-BYPYZUCNSA-N	-1	1	320.331	-1.701	20	0		DAADMM
Cc1[n-][nH]c2ncnc(=NC(=O)[C@@H]3CC(=O)N(C)C(=O)N3)c1-2	ZINC001181128901	781684440	/nfs/dbraw/zinc/68/44/40/781684440.db2.gz	DZOSFUJFUOOVRF-LURJTMIESA-N	-1	1	303.282	-1.086	20	0		DAADMM
O=C(CNC(=O)C1CC1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001181243199	781686244	/nfs/dbraw/zinc/68/62/44/781686244.db2.gz	SDUNXUWXVXVYFA-SECBINFHSA-N	-1	1	308.342	-1.273	20	0		DAADMM
CNC(=O)NCCC(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001182344783	781705685	/nfs/dbraw/zinc/70/56/85/781705685.db2.gz	SDYXKVHJCGFWIX-MRVPVSSYSA-N	-1	1	311.346	-1.480	20	0		DAADMM
C[C@H](CC(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)NC(N)=O	ZINC001182560970	781709382	/nfs/dbraw/zinc/70/93/82/781709382.db2.gz	HRMFGROEZFEMFK-HTQZYQBOSA-N	-1	1	311.346	-1.352	20	0		DAADMM
Cc1[n-][nH]c2ncnc(=NC(=O)C3CN(S(C)(=O)=O)C3)c1-2	ZINC001183017734	781720004	/nfs/dbraw/zinc/72/00/04/781720004.db2.gz	SBSFWWCZFCUWSR-UHFFFAOYSA-N	-1	1	310.339	-1.135	20	0		DAADMM
O=C(C[C@@H]1NC(=O)CNC1=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC001183714526	781730976	/nfs/dbraw/zinc/73/09/76/781730976.db2.gz	RFYAQUCXDRIKDF-VKHMYHEASA-N	-1	1	306.204	-1.233	20	0		DAADMM
O=C(C[C@@H]1NC(=O)CNC1=O)NCCCC[P@@](=O)([O-])O	ZINC001183730705	781733567	/nfs/dbraw/zinc/73/35/67/781733567.db2.gz	GOFTVNGYGSHYHB-ZETCQYMHSA-N	-1	1	307.243	-1.935	20	0		DAADMM
O=C(NCc1nn[n-]n1)c1cccc(N2CCCNC(=O)C2)n1	ZINC001185612962	781762932	/nfs/dbraw/zinc/76/29/32/781762932.db2.gz	LNVVRJNLLBRMON-UHFFFAOYSA-N	-1	1	316.325	-1.149	20	0		DAADMM
CN(CC(=O)N1CC2(CN(C)C2)C1)C(N)=[NH+]P(=O)([O-])[O-]	ZINC001185661597	781764426	/nfs/dbraw/zinc/76/44/26/781764426.db2.gz	LKMXITIVJTYCET-UHFFFAOYSA-N	-1	1	305.275	-1.691	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)CNC(N)=O)[C@@H]3C2)nc1=O	ZINC001186819207	781791949	/nfs/dbraw/zinc/79/19/49/781791949.db2.gz	NBZJKELMFMOLSB-DTWKUNHWSA-N	-1	1	323.357	-2.191	20	0		DAADMM
CN(C)C(=O)c1nc(C[N-]S(=O)(=O)c2c[nH]cn2)no1	ZINC001187777498	781807799	/nfs/dbraw/zinc/80/77/99/781807799.db2.gz	NJAAMYJWBSSWAD-UHFFFAOYSA-N	-1	1	300.300	-1.027	20	0		DAADMM
COC(=O)CCS(=O)(=O)[N-][C@@H](CC(=O)OC)C(=O)OC	ZINC001188400586	781820044	/nfs/dbraw/zinc/82/00/44/781820044.db2.gz	SOWHFOAGAHFGFY-ZETCQYMHSA-N	-1	1	311.312	-1.426	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001188748134	781825316	/nfs/dbraw/zinc/82/53/16/781825316.db2.gz	ZJVHMYDDYUZIJD-ONGXEEELSA-N	-1	1	324.385	-1.334	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001188748133	781825777	/nfs/dbraw/zinc/82/57/77/781825777.db2.gz	ZJVHMYDDYUZIJD-MWLCHTKSSA-N	-1	1	324.385	-1.334	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)CNC(N)=O)C1	ZINC001188828491	781827600	/nfs/dbraw/zinc/82/76/00/781827600.db2.gz	MBMXIZNUMPHKTJ-MRVPVSSYSA-N	-1	1	311.346	-2.191	20	0		DAADMM
CCC(=O)NCC(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001189401306	781839796	/nfs/dbraw/zinc/83/97/96/781839796.db2.gz	UWZQEZRVERRXFA-JTQLQIEISA-N	-1	1	324.385	-1.333	20	0		DAADMM
Cn1c(C(=O)Nc2c(N)[nH]c(=O)[n-]c2=O)cc(=O)n(C)c1=O	ZINC001189420130	781839832	/nfs/dbraw/zinc/83/98/32/781839832.db2.gz	KHIZDVONWOIPCC-UHFFFAOYSA-N	-1	1	308.254	-1.880	20	0		DAADMM
CCC(=O)NCC(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001189401307	781840477	/nfs/dbraw/zinc/84/04/77/781840477.db2.gz	UWZQEZRVERRXFA-SNVBAGLBSA-N	-1	1	324.385	-1.333	20	0		DAADMM
CCNC(=O)CC(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001189779465	781852763	/nfs/dbraw/zinc/85/27/63/781852763.db2.gz	SHSQJXLLCCKPRL-SNVBAGLBSA-N	-1	1	324.385	-1.333	20	0		DAADMM
NC(=O)[C@H](CO)NC(=O)c1cnc(-c2ccccn2)[n-]c1=O	ZINC001190629799	781873033	/nfs/dbraw/zinc/87/30/33/781873033.db2.gz	XQWHHTRFNWPWEK-VIFPVBQESA-N	-1	1	303.278	-1.180	20	0		DAADMM
CNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001191163663	781899828	/nfs/dbraw/zinc/89/98/28/781899828.db2.gz	ZGPXSVPOUYYEOT-HTQZYQBOSA-N	-1	1	324.341	-1.436	20	0		DAADMM
CS[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001191261245	781905461	/nfs/dbraw/zinc/90/54/61/781905461.db2.gz	CLAHVKNIZSCAPI-IWSPIJDZSA-N	-1	1	315.399	-1.479	20	0		DAADMM
CSc1ncc(C(=O)N2CN[C@H](N)[C@H]3NCN[C@H]32)c(=O)[n-]1	ZINC001191440914	781911363	/nfs/dbraw/zinc/91/13/63/781911363.db2.gz	OVGQRHZPBHFDRW-CSMHCCOUSA-N	-1	1	311.371	-1.963	20	0		DAADMM
CC[C@H](OC)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001191607248	781917101	/nfs/dbraw/zinc/91/71/01/781917101.db2.gz	FJYRLUKLGSVZNX-BBBLOLIVSA-N	-1	1	313.358	-1.805	20	0		DAADMM
C[C@@H](CNC(=O)CCc1cn(C)nn1)NCc1n[nH]c(=O)[n-]1	ZINC001376915703	921746177	/nfs/dbraw/zinc/74/61/77/921746177.db2.gz	BBUFUPRNYPTGTM-QMMMGPOBSA-N	-1	1	308.346	-1.134	20	0		DAADMM
C[C@H](C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1)S(C)(=O)=O	ZINC001377214975	921784493	/nfs/dbraw/zinc/78/44/93/921784493.db2.gz	ADQFDKTWQOXYNP-MRVPVSSYSA-N	-1	1	319.387	-1.911	20	0		DAADMM
O=C(Cn1ncnn1)N1CC[C@@H]1CNC(=O)c1ncccc1[O-]	ZINC000949538143	916085432	/nfs/dbraw/zinc/08/54/32/916085432.db2.gz	GFLQLPBKXRMVSF-SECBINFHSA-N	-1	1	317.309	-1.195	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)c2cn(C)nn2)C1	ZINC000971466512	916086914	/nfs/dbraw/zinc/08/69/14/916086914.db2.gz	WYIXYRGDVXYXQU-VIFPVBQESA-N	-1	1	320.357	-1.417	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1	ZINC000971490301	916087676	/nfs/dbraw/zinc/08/76/76/916087676.db2.gz	ZUMODNJNSMCIQY-SECBINFHSA-N	-1	1	320.357	-1.417	20	0		DAADMM
C[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001088549055	916108589	/nfs/dbraw/zinc/10/85/89/916108589.db2.gz	SLMYDCUSFPPNRQ-BDAKNGLRSA-N	-1	1	320.357	-1.370	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3ccon3)[C@@H](O)C2)nc1=O	ZINC001090097220	916108686	/nfs/dbraw/zinc/10/86/86/916108686.db2.gz	WILCEZPOCYCRHT-WPRPVWTQSA-N	-1	1	322.325	-1.538	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3ccon3)[C@H](O)C2)nc1=O	ZINC001090097219	916109012	/nfs/dbraw/zinc/10/90/12/916109012.db2.gz	WILCEZPOCYCRHT-WCBMZHEXSA-N	-1	1	322.325	-1.538	20	0		DAADMM
CC(=O)NC[C@@]1(O)CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001299732924	916200892	/nfs/dbraw/zinc/20/08/92/916200892.db2.gz	SIRRIAJHOIZAAX-AWEZNQCLSA-N	-1	1	324.337	-1.974	20	0		DAADMM
CN(C)C(=O)OCC[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001309659267	916203158	/nfs/dbraw/zinc/20/31/58/916203158.db2.gz	WHBWKIMCCSWBST-UHFFFAOYSA-N	-1	1	320.327	-1.538	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)nc1=O	ZINC001313442439	916215653	/nfs/dbraw/zinc/21/56/53/916215653.db2.gz	SNTOBHPFIBGKJG-UHFFFAOYSA-N	-1	1	318.337	-1.300	20	0		DAADMM
CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)CN(C)S(C)(=O)=O	ZINC001317592207	916331529	/nfs/dbraw/zinc/33/15/29/916331529.db2.gz	WOPAYCTYBBCSMB-UHFFFAOYSA-N	-1	1	320.375	-2.050	20	0		DAADMM
C[C@@H](O)CCCN1CC(NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001318071326	916368056	/nfs/dbraw/zinc/36/80/56/916368056.db2.gz	MORIBPGBKNZGFX-LLVKDONJSA-N	-1	1	324.381	-1.112	20	0		DAADMM
O=C(CN1C(=O)CNC1=O)N[C@@H](c1nn[n-]n1)c1ccccc1	ZINC001318108626	916373561	/nfs/dbraw/zinc/37/35/61/916373561.db2.gz	WZGOLZXXBQLZRW-LLVKDONJSA-N	-1	1	315.293	-1.043	20	0		DAADMM
O=C(CCN1C(=O)CCC1=O)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001318366759	916389335	/nfs/dbraw/zinc/38/93/35/916389335.db2.gz	KTCKAQPZPIADHP-MRVPVSSYSA-N	-1	1	308.298	-1.361	20	0		DAADMM
CN(C(=O)CCn1cc[n-]c(=O)c1=O)[C@@H]1CCS(=O)(=O)C1	ZINC001318451380	916396812	/nfs/dbraw/zinc/39/68/12/916396812.db2.gz	LPDGIPZQADELJG-SECBINFHSA-N	-1	1	315.351	-1.428	20	0		DAADMM
C[C@@H](CS(C)(=O)=O)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001318515003	916398422	/nfs/dbraw/zinc/39/84/22/916398422.db2.gz	REQRRHFTRMMSKE-QMMMGPOBSA-N	-1	1	303.340	-1.524	20	0		DAADMM
Cc1nc2n(n1)C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)CC2	ZINC001318499378	916400667	/nfs/dbraw/zinc/40/06/67/916400667.db2.gz	KXLRUINPGPZESJ-JTQLQIEISA-N	-1	1	318.337	-1.042	20	0		DAADMM
NC(=O)[C@H]1CC[C@@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)O1	ZINC001319110715	916420959	/nfs/dbraw/zinc/42/09/59/916420959.db2.gz	JAKVKLZVOCCIHH-DTWKUNHWSA-N	-1	1	310.310	-1.924	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCN2C(=O)CC[C@H]2C1	ZINC001319638745	916446680	/nfs/dbraw/zinc/44/66/80/916446680.db2.gz	KQOFSKDFPVDAEA-JTQLQIEISA-N	-1	1	306.322	-1.240	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCN2C(=O)CC[C@@H]2C1	ZINC001319638746	916447592	/nfs/dbraw/zinc/44/75/92/916447592.db2.gz	KQOFSKDFPVDAEA-SNVBAGLBSA-N	-1	1	306.322	-1.240	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCN2C(=O)NC(=O)[C@H]2C1	ZINC001319902011	916451901	/nfs/dbraw/zinc/45/19/01/916451901.db2.gz	KQZUORFRPIVCHG-MRVPVSSYSA-N	-1	1	321.293	-2.311	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC(=O)NC2=O)o1	ZINC001319926423	916456033	/nfs/dbraw/zinc/45/60/33/916456033.db2.gz	DHBAOGQJXIQASY-ZCFIWIBFSA-N	-1	1	315.307	-1.277	20	0		DAADMM
COCCO[N-]C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	ZINC001321034298	916540460	/nfs/dbraw/zinc/54/04/60/916540460.db2.gz	BEUDYYJDNONCOB-VHSXEESVSA-N	-1	1	320.367	-1.284	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NC[C@@H](CO)[C@H]1CCOC1	ZINC001321268639	916558933	/nfs/dbraw/zinc/55/89/33/916558933.db2.gz	UVVGUHRGNAGPMI-QWRGUYRKSA-N	-1	1	311.338	-1.312	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NC[C@H](CO)[C@@H]1CCOC1	ZINC001321268637	916560944	/nfs/dbraw/zinc/56/09/44/916560944.db2.gz	UVVGUHRGNAGPMI-GHMZBOCLSA-N	-1	1	311.338	-1.312	20	0		DAADMM
O=C(Nc1ccc2c(c1)OCCO2)C(=O)NN1CC(=O)[N-]C1=O	ZINC001321386493	916568571	/nfs/dbraw/zinc/56/85/71/916568571.db2.gz	QDJXXRWVTCQLCZ-UHFFFAOYSA-N	-1	1	320.261	-1.021	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCC(=O)N1CCOCC1	ZINC001321772086	916595402	/nfs/dbraw/zinc/59/54/02/916595402.db2.gz	GBWGCHJROCUDDP-UHFFFAOYSA-N	-1	1	324.337	-1.708	20	0		DAADMM
CNC(=O)CCN(C)C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001322950991	916680633	/nfs/dbraw/zinc/68/06/33/916680633.db2.gz	AYVZLOJMGJVNEM-UHFFFAOYSA-N	-1	1	318.337	-1.125	20	0		DAADMM
NC(=O)C(=O)N[C@H](CNCc1cc(=O)n2[n-]ccc2n1)C1CC1	ZINC001323068996	916691912	/nfs/dbraw/zinc/69/19/12/916691912.db2.gz	YOXOQSUGLGBFJU-SNVBAGLBSA-N	-1	1	318.337	-1.508	20	0		DAADMM
CNC(=O)CCCNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001323189470	916698183	/nfs/dbraw/zinc/69/81/83/916698183.db2.gz	ZSBOBMBEKSCAOK-UHFFFAOYSA-N	-1	1	318.337	-1.077	20	0		DAADMM
C[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)C(=O)N(C)C	ZINC001323699731	916743834	/nfs/dbraw/zinc/74/38/34/916743834.db2.gz	VYXODOQTBUNQQD-QMMMGPOBSA-N	-1	1	318.337	-1.127	20	0		DAADMM
COCCCNC(=O)CS(=O)(=O)c1nnc(COC)[n-]1	ZINC001323921654	916757112	/nfs/dbraw/zinc/75/71/12/916757112.db2.gz	YKLXTGYHWIGBCO-UHFFFAOYSA-N	-1	1	306.344	-1.123	20	0		DAADMM
COCCCNC(=O)CS(=O)(=O)c1n[n-]c(COC)n1	ZINC001323921654	916757119	/nfs/dbraw/zinc/75/71/19/916757119.db2.gz	YKLXTGYHWIGBCO-UHFFFAOYSA-N	-1	1	306.344	-1.123	20	0		DAADMM
CN(C(=O)C(C)(C)C(N)=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001323946809	916760435	/nfs/dbraw/zinc/76/04/35/916760435.db2.gz	RPICLDTVHJWDBJ-UHFFFAOYSA-N	-1	1	310.358	-1.738	20	0		DAADMM
COCC[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C(=O)OC	ZINC001324142215	916767365	/nfs/dbraw/zinc/76/73/65/916767365.db2.gz	BDDUTAYQMAYREM-SECBINFHSA-N	-1	1	313.310	-1.379	20	0		DAADMM
COCC[C@@H](CO)NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001324893291	916801266	/nfs/dbraw/zinc/80/12/66/916801266.db2.gz	OHDIVLQMHOVSQH-VIFPVBQESA-N	-1	1	321.337	-1.206	20	0		DAADMM
O=C([C@@H]1CCCCO1)N(CCO)CCNCc1n[nH]c(=O)[n-]1	ZINC001326009421	916883764	/nfs/dbraw/zinc/88/37/64/916883764.db2.gz	PCGXCBGGTZVGNX-JTQLQIEISA-N	-1	1	313.358	-1.010	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1	ZINC001326643501	916941222	/nfs/dbraw/zinc/94/12/22/916941222.db2.gz	AJXQSPWWFQUGHV-QMMMGPOBSA-N	-1	1	311.342	-1.051	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)C(=O)NCCOCCO)ccnc1-2	ZINC001326772557	916955012	/nfs/dbraw/zinc/95/50/12/916955012.db2.gz	MRGJQUARRXSVEJ-UHFFFAOYSA-N	-1	1	307.310	-1.595	20	0		DAADMM
CCN1C[C@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)CC1=O	ZINC001327426436	917015290	/nfs/dbraw/zinc/01/52/90/917015290.db2.gz	IXNSNQGLYOMAMX-JTQLQIEISA-N	-1	1	308.338	-1.089	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1	ZINC001327540543	917022966	/nfs/dbraw/zinc/02/29/66/917022966.db2.gz	HGNRRNFDZLVHSZ-VHSXEESVSA-N	-1	1	312.370	-1.088	20	0		DAADMM
CC(=O)NCCN(C)C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001328221813	917071397	/nfs/dbraw/zinc/07/13/97/917071397.db2.gz	UVNQDALXINEESW-UHFFFAOYSA-N	-1	1	318.337	-1.125	20	0		DAADMM
CC(C)[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)C(N)=O	ZINC001329232175	917152600	/nfs/dbraw/zinc/15/26/00/917152600.db2.gz	VARSRSHNMPGBMU-SNVBAGLBSA-N	-1	1	318.337	-1.094	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC001329384507	917163540	/nfs/dbraw/zinc/16/35/40/917163540.db2.gz	XFTSEBYGPDGCLL-SNVBAGLBSA-N	-1	1	322.321	-1.020	20	0		DAADMM
CON(C)CCNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001329569340	917179298	/nfs/dbraw/zinc/17/92/98/917179298.db2.gz	CVTIXXFESDXBIG-UHFFFAOYSA-N	-1	1	306.326	-1.110	20	0		DAADMM
CCNC(=O)CNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001330146258	917232894	/nfs/dbraw/zinc/23/28/94/917232894.db2.gz	VPHUUDGHQMXVRH-UHFFFAOYSA-N	-1	1	304.310	-1.467	20	0		DAADMM
Cc1n[nH]c(C(=O)NCCOCCN(C)[C@@H](C)C(N)=O)c1[O-]	ZINC001331111393	917280747	/nfs/dbraw/zinc/28/07/47/917280747.db2.gz	RKUNSHBWZXTZIO-VIFPVBQESA-N	-1	1	313.358	-1.024	20	0		DAADMM
CN1CC[C@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)CC1=O	ZINC001331521781	917298041	/nfs/dbraw/zinc/29/80/41/917298041.db2.gz	YNFMRPODFPAKHG-JTQLQIEISA-N	-1	1	308.338	-1.089	20	0		DAADMM
NC(=O)C[C@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)CCO1	ZINC001331748592	917332035	/nfs/dbraw/zinc/33/20/35/917332035.db2.gz	RQXVFOZHOBHSTG-VIFPVBQESA-N	-1	1	310.310	-1.971	20	0		DAADMM
CNS(=O)(=O)CCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001331834205	917341878	/nfs/dbraw/zinc/34/18/78/917341878.db2.gz	PDEPXVYJTPSHJK-UHFFFAOYSA-N	-1	1	318.355	-2.018	20	0		DAADMM
C[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)S(C)(=O)=O	ZINC001334558694	917497180	/nfs/dbraw/zinc/49/71/80/917497180.db2.gz	PNOMKBAEQBECGC-MRVPVSSYSA-N	-1	1	303.340	-1.524	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CC(N2CCCC2=O)C1	ZINC001335349074	917544428	/nfs/dbraw/zinc/54/44/28/917544428.db2.gz	REOYMQZOVUEBAW-UHFFFAOYSA-N	-1	1	306.322	-1.240	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCCN1C(=O)CCC1=O	ZINC001338977160	917709167	/nfs/dbraw/zinc/70/91/67/917709167.db2.gz	PPJOFDBXDHSTMM-UHFFFAOYSA-N	-1	1	322.321	-1.418	20	0		DAADMM
Cn1nnc(C[N-]S(=O)(=O)c2cnc3c(cnn3C)c2)n1	ZINC001339330153	917716837	/nfs/dbraw/zinc/71/68/37/917716837.db2.gz	KUDUGPZHWSGPOR-UHFFFAOYSA-N	-1	1	308.327	-1.030	20	0		DAADMM
NC(=O)c1ccc(CNC(=O)CCn2cc[n-]c(=O)c2=O)cn1	ZINC001340137487	917729771	/nfs/dbraw/zinc/72/97/71/917729771.db2.gz	XRCBZRDXNFABEC-UHFFFAOYSA-N	-1	1	317.305	-1.263	20	0		DAADMM
CO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC001342029194	917775769	/nfs/dbraw/zinc/77/57/69/917775769.db2.gz	DRQULRSLDWUTAV-VIFPVBQESA-N	-1	1	300.359	-1.231	20	0		DAADMM
COC[C@@]1(C)CN(C(=O)[C@]2(C(=O)[O-])CNCCO2)CCO1	ZINC001342254232	917781331	/nfs/dbraw/zinc/78/13/31/917781331.db2.gz	CYAMPNDROBXHNK-OLZOCXBDSA-N	-1	1	302.327	-1.307	20	0		DAADMM
C[C@H](CN1CCOCC1)N(C)C(=O)[C@@]1(C(=O)[O-])CNCCO1	ZINC001343879895	917814061	/nfs/dbraw/zinc/81/40/61/917814061.db2.gz	RQLIBZZJTQEDMT-BXUZGUMPSA-N	-1	1	315.370	-1.391	20	0		DAADMM
CC(C)S(=O)(=O)CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001343769609	917815595	/nfs/dbraw/zinc/81/55/95/917815595.db2.gz	AKDQJXQXSJVCND-UHFFFAOYSA-N	-1	1	317.367	-1.134	20	0		DAADMM
CN1CC[C@@H](NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1=O	ZINC001346494825	917889194	/nfs/dbraw/zinc/88/91/94/917889194.db2.gz	WWXHSZJSETWSPK-SNVBAGLBSA-N	-1	1	316.321	-1.373	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)NC[C@@H](C)N1CCN(C)CC1	ZINC001346438322	917889589	/nfs/dbraw/zinc/88/95/89/917889589.db2.gz	VBLKCLFNVBPFGY-LLVKDONJSA-N	-1	1	301.391	-1.011	20	0		DAADMM
COC[C@@](C)(O)CNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001346494115	917889747	/nfs/dbraw/zinc/88/97/47/917889747.db2.gz	SNSOLWTWRJDIRL-AWEZNQCLSA-N	-1	1	321.337	-1.206	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)C(=O)N(CCO)CCCO)ccnc1-2	ZINC001346530751	917891373	/nfs/dbraw/zinc/89/13/73/917891373.db2.gz	SGPAKBIAYQTIHQ-UHFFFAOYSA-N	-1	1	321.337	-1.516	20	0		DAADMM
NC(=O)c1ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)nc1	ZINC001361784169	918404966	/nfs/dbraw/zinc/40/49/66/918404966.db2.gz	OLHJGSCJVNXSPY-VIFPVBQESA-N	-1	1	303.282	-1.093	20	0		DAADMM
CC(=O)N1CCN(C(=O)CCNC(=O)CCc2nn[n-]n2)CC1	ZINC001361797167	918407125	/nfs/dbraw/zinc/40/71/25/918407125.db2.gz	JFCLIKLEMRXVFU-UHFFFAOYSA-N	-1	1	323.357	-1.671	20	0		DAADMM
O=C([C@@H]1CCS(=O)(=O)C1)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001361921029	918424502	/nfs/dbraw/zinc/42/45/02/918424502.db2.gz	CMFFEFDSSWWFHV-SFYZADRCSA-N	-1	1	301.328	-1.466	20	0		DAADMM
O=C([C@@H]1CCc2nncn2C1)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001361930420	918427781	/nfs/dbraw/zinc/42/77/81/918427781.db2.gz	XUSKKJBFLITPPK-BDAKNGLRSA-N	-1	1	304.314	-1.046	20	0		DAADMM
O=C([C@H]1CCc2nncn2C1)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001361930424	918428907	/nfs/dbraw/zinc/42/89/07/918428907.db2.gz	XUSKKJBFLITPPK-DTWKUNHWSA-N	-1	1	304.314	-1.046	20	0		DAADMM
CC(C)NC(=O)CN1CCN(C(=O)CCc2nn[n-]n2)CC1	ZINC001362016550	918439769	/nfs/dbraw/zinc/43/97/69/918439769.db2.gz	DARQGNWPTOXCTJ-UHFFFAOYSA-N	-1	1	309.374	-1.199	20	0		DAADMM
Cc1nnc(CN2CCN(C(=O)CCc3nn[n-]n3)CC2)[nH]1	ZINC001362006255	918440060	/nfs/dbraw/zinc/44/00/60/918440060.db2.gz	NAQANVTYAWDCSJ-UHFFFAOYSA-N	-1	1	305.346	-1.097	20	0		DAADMM
C[C@H](C(=O)NC1CC1)N1CCN(C(=O)CCc2nn[n-]n2)CC1	ZINC001362036207	918442611	/nfs/dbraw/zinc/44/26/11/918442611.db2.gz	XARRURQOLQZSOK-SNVBAGLBSA-N	-1	1	321.385	-1.056	20	0		DAADMM
CCS(=O)(=O)N(C)CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001362093488	918455512	/nfs/dbraw/zinc/45/55/12/918455512.db2.gz	YMFPHLPEDJDXOT-MRVPVSSYSA-N	-1	1	318.359	-1.619	20	0		DAADMM
COC(=O)[C@@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CCO1	ZINC001362240351	918482926	/nfs/dbraw/zinc/48/29/26/918482926.db2.gz	TXOPCSFPUDVFOC-LURJTMIESA-N	-1	1	313.266	-1.090	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)CC(C)(CO)CO	ZINC001362297831	918495742	/nfs/dbraw/zinc/49/57/42/918495742.db2.gz	COUPOKIZYQYRQF-UHFFFAOYSA-N	-1	1	301.299	-1.041	20	0		DAADMM
CS(=O)(=O)N1CCC[C@@H]1CNC(=O)CCc1nn[n-]n1	ZINC001362329467	918498527	/nfs/dbraw/zinc/49/85/27/918498527.db2.gz	RYEHFKPUBVXHAX-MRVPVSSYSA-N	-1	1	302.360	-1.328	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN2C(=O)NC[C@H]2C1	ZINC001362384329	918511285	/nfs/dbraw/zinc/51/12/85/918511285.db2.gz	KCDAZDABIRTZJB-LURJTMIESA-N	-1	1	309.282	-1.254	20	0		DAADMM
COC1(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)CS(=O)(=O)C1	ZINC001362409318	918516115	/nfs/dbraw/zinc/51/61/15/918516115.db2.gz	VTXRDDZEPDHHTH-MRVPVSSYSA-N	-1	1	315.355	-1.281	20	0		DAADMM
COC(=O)[C@]1(NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CCOC1	ZINC001362440862	918522086	/nfs/dbraw/zinc/52/20/86/918522086.db2.gz	KIZMMNKSYOMGDN-LBPRGKRZSA-N	-1	1	313.266	-1.042	20	0		DAADMM
CN(CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1)S(C)(=O)=O	ZINC001362558609	918547873	/nfs/dbraw/zinc/54/78/73/918547873.db2.gz	AWVPZMORLUFWIS-MRVPVSSYSA-N	-1	1	302.360	-1.203	20	0		DAADMM
CS(=O)(=O)[N-]C(=O)CCNC(=O)CN1CCC(CO)CC1	ZINC001362573164	918551483	/nfs/dbraw/zinc/55/14/83/918551483.db2.gz	YXVSFHLZXVSARL-UHFFFAOYSA-N	-1	1	321.399	-1.727	20	0		DAADMM
COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CCc1nn[n-]n1	ZINC001362574904	918553217	/nfs/dbraw/zinc/55/32/17/918553217.db2.gz	BNLMZVHVTQPGAJ-QMMMGPOBSA-N	-1	1	310.314	-1.588	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCN1CCNC(=O)C1	ZINC001362637767	918564350	/nfs/dbraw/zinc/56/43/50/918564350.db2.gz	LMMLLPWNFFCLAJ-UHFFFAOYSA-N	-1	1	311.298	-1.942	20	0		DAADMM
CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1n[nH]c(C2CC2)n1	ZINC001362641518	918565388	/nfs/dbraw/zinc/56/53/88/918565388.db2.gz	CWXLYMJBIFVXSJ-UHFFFAOYSA-N	-1	1	315.355	-1.193	20	0		DAADMM
CN(C)S(=O)(=O)CC(=O)N1CCSC[C@@H]1c1nn[n-]n1	ZINC001362664903	918573024	/nfs/dbraw/zinc/57/30/24/918573024.db2.gz	DFAOSHZWPZYBTA-SSDOTTSWSA-N	-1	1	320.400	-1.292	20	0		DAADMM
COC[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C(=O)OC	ZINC001362704536	918582978	/nfs/dbraw/zinc/58/29/78/918582978.db2.gz	VOTGXTWUJOGRTI-YFKPBYRVSA-N	-1	1	301.255	-1.186	20	0		DAADMM
C[N@H+](CC(=O)N1CCC(O)(c2nnn[n-]2)CC1)[C@@H]1CCC[C@H]1O	ZINC001362730203	918590350	/nfs/dbraw/zinc/59/03/50/918590350.db2.gz	JIKMOZVDWNYUIF-GHMZBOCLSA-N	-1	1	324.385	-1.145	20	0		DAADMM
C[N@@H+](CC(=O)N1CCC(O)(c2nnn[n-]2)CC1)[C@@H]1CCC[C@H]1O	ZINC001362730203	918590363	/nfs/dbraw/zinc/59/03/63/918590363.db2.gz	JIKMOZVDWNYUIF-GHMZBOCLSA-N	-1	1	324.385	-1.145	20	0		DAADMM
O=C(C1CCS(=O)(=O)CC1)N1CCOC[C@H]1c1nn[n-]n1	ZINC001362762786	918599227	/nfs/dbraw/zinc/59/92/27/918599227.db2.gz	UCVCRPWTJNHRDX-VIFPVBQESA-N	-1	1	315.355	-1.076	20	0		DAADMM
CNS(=O)(=O)NCC(=O)N1CCC[C@H](Cc2nn[n-]n2)C1	ZINC001362901205	918637114	/nfs/dbraw/zinc/63/71/14/918637114.db2.gz	ABXACNHHMBHBRA-MRVPVSSYSA-N	-1	1	317.375	-1.965	20	0		DAADMM
COC[C@@H](NC(=O)C1CN(S(C)(=O)=O)C1)c1nn[n-]n1	ZINC001362901098	918638091	/nfs/dbraw/zinc/63/80/91/918638091.db2.gz	QCGBSBOGQWGDPP-SSDOTTSWSA-N	-1	1	304.332	-2.105	20	0		DAADMM
O=C(CN1CCNC(=O)C1)N1CCC[C@@H](Cc2nn[n-]n2)C1	ZINC001362904990	918640043	/nfs/dbraw/zinc/64/00/43/918640043.db2.gz	KQQHOTBPWLZQNI-JTQLQIEISA-N	-1	1	307.358	-1.587	20	0		DAADMM
CCS(=O)(=O)N(C)CC(=O)N[C@@H](COC)c1nn[n-]n1	ZINC001362907484	918640988	/nfs/dbraw/zinc/64/09/88/918640988.db2.gz	HEBSATMHCISZJE-ZETCQYMHSA-N	-1	1	306.348	-1.715	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CC[C@@H](O)[C@@H](O)C1	ZINC001363014835	918668657	/nfs/dbraw/zinc/66/86/57/918668657.db2.gz	XXGFOGXBUHFJLO-KKZNHRDASA-N	-1	1	309.322	-1.093	20	0		DAADMM
C[C@]1(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)CCC(=O)NC1	ZINC001363025439	918672197	/nfs/dbraw/zinc/67/21/97/918672197.db2.gz	BHQSQDYDKZFMLJ-LBPRGKRZSA-N	-1	1	308.342	-1.074	20	0		DAADMM
Cn1cc(CCC(=O)N2CCC(O)(c3nn[n-]n3)CC2)nn1	ZINC001363030678	918673930	/nfs/dbraw/zinc/67/39/30/918673930.db2.gz	VZAUKOOJONQXDS-UHFFFAOYSA-N	-1	1	306.330	-1.229	20	0		DAADMM
O=C(CCCc1nn[n-]n1)N1CCC(C(=O)NCCO)CC1	ZINC001363056227	918682725	/nfs/dbraw/zinc/68/27/25/918682725.db2.gz	RKOZZMCFOABICJ-UHFFFAOYSA-N	-1	1	310.358	-1.131	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N1CC[C@@H](O)[C@@H](CO)C1	ZINC001363078055	918685377	/nfs/dbraw/zinc/68/53/77/918685377.db2.gz	XKPODZSFZOZAHA-NXEZZACHSA-N	-1	1	309.322	-1.281	20	0		DAADMM
COC(=O)CNC(=O)[C@H]1CCCN1C(=O)CCCc1nn[n-]n1	ZINC001363087808	918689683	/nfs/dbraw/zinc/68/96/83/918689683.db2.gz	GWLAIJPMRQIORW-SECBINFHSA-N	-1	1	324.341	-1.197	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](CO)[C@H](CCO)C1	ZINC001363085175	918689964	/nfs/dbraw/zinc/68/99/64/918689964.db2.gz	OOVAKMBZLYWCSK-SFYZADRCSA-N	-1	1	313.310	-1.041	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H](CO)[C@@H](CCO)C1	ZINC001363085169	918690580	/nfs/dbraw/zinc/69/05/80/918690580.db2.gz	OOVAKMBZLYWCSK-JGVFFNPUSA-N	-1	1	313.310	-1.041	20	0		DAADMM
COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CCCc1nn[n-]n1	ZINC001363087812	918690819	/nfs/dbraw/zinc/69/08/19/918690819.db2.gz	GWLAIJPMRQIORW-VIFPVBQESA-N	-1	1	324.341	-1.197	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H](CO)[C@H](CCO)C1	ZINC001363085162	918691185	/nfs/dbraw/zinc/69/11/85/918691185.db2.gz	OOVAKMBZLYWCSK-HTQZYQBOSA-N	-1	1	313.310	-1.041	20	0		DAADMM
O=C([C@H]1CCC2N=NC(=O)N2C1)N1CCOC[C@H]1c1nn[n-]n1	ZINC001363116545	918697291	/nfs/dbraw/zinc/69/72/91/918697291.db2.gz	MJINHTUJUUWYQF-YUMQZZPRSA-N	-1	1	320.313	-1.341	20	0		DAADMM
O=C([C@@H]1CCC2N=NC(=O)N2C1)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001363116542	918697376	/nfs/dbraw/zinc/69/73/76/918697376.db2.gz	MJINHTUJUUWYQF-HTQZYQBOSA-N	-1	1	320.313	-1.341	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](CO)[C@H](CO)C2)co1	ZINC001363127467	918699401	/nfs/dbraw/zinc/69/94/01/918699401.db2.gz	ZDUYJHXZDIKQDO-UWVGGRQHSA-N	-1	1	318.351	-1.140	20	0		DAADMM
Cn1cc(C(=O)N2CCC(c3nn[n-]n3)CC2)c(=O)n(C)c1=O	ZINC001363198341	918719035	/nfs/dbraw/zinc/71/90/35/918719035.db2.gz	YKFBFGQEZQUGNG-UHFFFAOYSA-N	-1	1	319.325	-1.383	20	0		DAADMM
Cn1c(=O)ccn(CC(=O)N2CC[C@@H](c3nn[n-]n3)C2)c1=O	ZINC001363216033	918726547	/nfs/dbraw/zinc/72/65/47/918726547.db2.gz	GHKLWGJNRQYSCC-MRVPVSSYSA-N	-1	1	305.298	-1.924	20	0		DAADMM
COC(=O)[C@](C)(CO)NC(=O)CNC(=O)c1ncccc1[O-]	ZINC001363257510	918738771	/nfs/dbraw/zinc/73/87/71/918738771.db2.gz	WNFYGMPUOCGLPH-ZDUSSCGKSA-N	-1	1	311.294	-1.443	20	0		DAADMM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@H](c2nn[nH]n2)C1	ZINC001363307571	918755324	/nfs/dbraw/zinc/75/53/24/918755324.db2.gz	JMZJQGFIWFDYFB-ZETCQYMHSA-N	-1	1	315.297	-1.400	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)NC2=NCC(=O)N2C)co1	ZINC001363332915	918763538	/nfs/dbraw/zinc/76/35/38/918763538.db2.gz	XHCGSLSONXBPCF-UHFFFAOYSA-N	-1	1	300.296	-1.255	20	0		DAADMM
COC[C@@H](NC(=O)C1CC2(C1)CS(=O)(=O)C2)c1nn[n-]n1	ZINC001363433201	918784445	/nfs/dbraw/zinc/78/44/45/918784445.db2.gz	JQEJSZFNROKIBM-MRVPVSSYSA-N	-1	1	315.355	-1.172	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCN2CCNC2=O)co1	ZINC001363427670	918784597	/nfs/dbraw/zinc/78/45/97/918784597.db2.gz	CQHGAKFQGZYWQO-UHFFFAOYSA-N	-1	1	316.339	-1.057	20	0		DAADMM
CC(=O)NCC(=O)NCC(=O)N1CCC[C@H](Cc2nn[n-]n2)C1	ZINC001363437182	918787255	/nfs/dbraw/zinc/78/72/55/918787255.db2.gz	UAFDCSQRFDZYMI-SNVBAGLBSA-N	-1	1	323.357	-1.767	20	0		DAADMM
Cn1cnn(CCC(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)c1=O	ZINC001363437821	918787410	/nfs/dbraw/zinc/78/74/10/918787410.db2.gz	WYBPZQFLADFXKA-JTQLQIEISA-N	-1	1	320.357	-1.034	20	0		DAADMM
Cn1cnn(CCC(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)c1=O	ZINC001363437822	918787886	/nfs/dbraw/zinc/78/78/86/918787886.db2.gz	WYBPZQFLADFXKA-SNVBAGLBSA-N	-1	1	320.357	-1.034	20	0		DAADMM
C[C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)[C@@H](C)C[N@H+]1CCO	ZINC001363448840	918791656	/nfs/dbraw/zinc/79/16/56/918791656.db2.gz	IDPNXGVOFNSOKO-SFYZADRCSA-N	-1	1	311.342	-1.003	20	0		DAADMM
COC1(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)CS(=O)(=O)C1	ZINC001363528897	918818314	/nfs/dbraw/zinc/81/83/14/918818314.db2.gz	UWSHUOXTMWUDER-SSDOTTSWSA-N	-1	1	301.328	-1.671	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CC(O)(C(=O)OC)C2)o1	ZINC001363530651	918819474	/nfs/dbraw/zinc/81/94/74/918819474.db2.gz	QVGLSMIGFJRBDK-UHFFFAOYSA-N	-1	1	318.307	-1.452	20	0		DAADMM
O=C(CCc1nn[n-]n1)N1CCS(=O)(=O)C[C@@H]1CCO	ZINC001363582305	918836108	/nfs/dbraw/zinc/83/61/08/918836108.db2.gz	WEPFEWVZPUYYLN-QMMMGPOBSA-N	-1	1	303.344	-1.860	20	0		DAADMM
COC[C@@H](NC(=O)Cn1c(C)cc(O)cc1=O)c1nn[n-]n1	ZINC001363585120	918836406	/nfs/dbraw/zinc/83/64/06/918836406.db2.gz	HDBBJSMLRHBQHS-SECBINFHSA-N	-1	1	308.298	-1.121	20	0		DAADMM
COC[C@H](NC(=O)CN1CCS(=O)(=O)CC1)c1nn[n-]n1	ZINC001363592993	918838242	/nfs/dbraw/zinc/83/82/42/918838242.db2.gz	VYVSJYBQHBEHNU-QMMMGPOBSA-N	-1	1	318.359	-2.266	20	0		DAADMM
CN1C[C@H](C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)NC1=O	ZINC001363690104	918859869	/nfs/dbraw/zinc/85/98/69/918859869.db2.gz	PYIUKWHUGFWBED-SECBINFHSA-N	-1	1	307.310	-1.105	20	0		DAADMM
CS(=O)(=O)c1n[n-]c(NC(=O)C[C@H]2CCS(=O)(=O)C2)n1	ZINC001363703513	918860922	/nfs/dbraw/zinc/86/09/22/918860922.db2.gz	DHSZJFSSQSYBCO-ZCFIWIBFSA-N	-1	1	322.368	-1.029	20	0		DAADMM
CS(=O)(=O)c1nnc(NC(=O)C[C@H]2CCS(=O)(=O)C2)[n-]1	ZINC001363703513	918860941	/nfs/dbraw/zinc/86/09/41/918860941.db2.gz	DHSZJFSSQSYBCO-ZCFIWIBFSA-N	-1	1	322.368	-1.029	20	0		DAADMM
CS(=O)(=O)C[C@@H]1CN(C(=O)CCCc2nn[n-]n2)CCO1	ZINC001363744071	918871942	/nfs/dbraw/zinc/87/19/42/918871942.db2.gz	RPPOZZIVHVQMGD-VIFPVBQESA-N	-1	1	317.371	-1.206	20	0		DAADMM
COC1(C(=O)N(Cc2nn[n-]n2)CC(C)C)CS(=O)(=O)C1	ZINC001363803559	918884270	/nfs/dbraw/zinc/88/42/70/918884270.db2.gz	NPZUKTSCASBYQG-UHFFFAOYSA-N	-1	1	317.371	-1.002	20	0		DAADMM
COC[C@@H](CCO)NS(=O)(=O)c1cc(C(=O)OC)n[n-]1	ZINC001363828621	918891275	/nfs/dbraw/zinc/89/12/75/918891275.db2.gz	FIVKNXMYWLFPSO-SSDOTTSWSA-N	-1	1	307.328	-1.128	20	0		DAADMM
COC[C@@H](CCO)NS(=O)(=O)c1cc(C(=O)OC)[n-]n1	ZINC001363828621	918891296	/nfs/dbraw/zinc/89/12/96/918891296.db2.gz	FIVKNXMYWLFPSO-SSDOTTSWSA-N	-1	1	307.328	-1.128	20	0		DAADMM
COc1cc(S(=O)(=O)[N-]CCN2CCNC(=O)C2)sn1	ZINC001363923231	918905791	/nfs/dbraw/zinc/90/57/91/918905791.db2.gz	CRDTYHDMZVZBNP-UHFFFAOYSA-N	-1	1	320.396	-1.138	20	0		DAADMM
COC(=O)[C@H]1CN(C(=O)CCc2nn[n-]n2)C[C@@H]1C(=O)OC	ZINC001363923161	918907372	/nfs/dbraw/zinc/90/73/72/918907372.db2.gz	YOLYCBYKEWJGRB-YUMQZZPRSA-N	-1	1	311.298	-1.447	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)[n-]n1	ZINC001363942829	918908994	/nfs/dbraw/zinc/90/89/94/918908994.db2.gz	YWOOIBCHCFRRHI-LURJTMIESA-N	-1	1	323.352	-1.338	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)n[n-]1	ZINC001363942829	918909002	/nfs/dbraw/zinc/90/90/02/918909002.db2.gz	YWOOIBCHCFRRHI-LURJTMIESA-N	-1	1	323.352	-1.338	20	0		DAADMM
CNC(=O)[C@@H](O)CNS(=O)(=O)c1cc(OC)ccc1[O-]	ZINC001363933593	918909292	/nfs/dbraw/zinc/90/92/92/918909292.db2.gz	HQOJWHGJJKJOLE-VIFPVBQESA-N	-1	1	304.324	-1.214	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCc2cnnn2C)[n-]n1	ZINC001363939607	918909947	/nfs/dbraw/zinc/90/99/47/918909947.db2.gz	XDLLFEHAKGBPPJ-UHFFFAOYSA-N	-1	1	300.300	-1.197	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCc2cnnn2C)n[n-]1	ZINC001363939607	918909955	/nfs/dbraw/zinc/90/99/55/918909955.db2.gz	XDLLFEHAKGBPPJ-UHFFFAOYSA-N	-1	1	300.300	-1.197	20	0		DAADMM
COC[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)OC	ZINC001363961660	918913173	/nfs/dbraw/zinc/91/31/73/918913173.db2.gz	GSJVONOIMFZLGF-SSDOTTSWSA-N	-1	1	307.328	-1.574	20	0		DAADMM
COC(=O)c1coc(C[N-]S(=O)(=O)[C@@H]2COC[C@H]2O)n1	ZINC001363988992	918922083	/nfs/dbraw/zinc/92/20/83/918922083.db2.gz	BJAIQMQZUVBIFJ-HTQZYQBOSA-N	-1	1	306.296	-1.360	20	0		DAADMM
COC[C@@H](CC[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)OC	ZINC001364018366	918932218	/nfs/dbraw/zinc/93/22/18/918932218.db2.gz	CQLIMABYTNBGQD-MRVPVSSYSA-N	-1	1	321.355	-1.184	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@H](O)C[C@]2(C)CO)[n-]n1	ZINC001364037734	918934131	/nfs/dbraw/zinc/93/41/31/918934131.db2.gz	JJWLUMWUEGHHIJ-RDDDGLTNSA-N	-1	1	319.339	-1.297	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@H](O)C[C@]2(C)CO)n[n-]1	ZINC001364037734	918934143	/nfs/dbraw/zinc/93/41/43/918934143.db2.gz	JJWLUMWUEGHHIJ-RDDDGLTNSA-N	-1	1	319.339	-1.297	20	0		DAADMM
CCS(=O)(=O)NCC(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1	ZINC001364039181	918935407	/nfs/dbraw/zinc/93/54/07/918935407.db2.gz	XVIDYCUVYKXKSD-VIFPVBQESA-N	-1	1	316.387	-1.080	20	0		DAADMM
CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CCCS2(=O)=O)n1	ZINC001364045239	918937176	/nfs/dbraw/zinc/93/71/76/918937176.db2.gz	CFOYIFBCDHHZPR-RXMQYKEDSA-N	-1	1	308.341	-1.276	20	0		DAADMM
CS(=O)(=O)c1nnc(NC(=O)[C@H]2CCCS2(=O)=O)[n-]1	ZINC001364045239	918937188	/nfs/dbraw/zinc/93/71/88/918937188.db2.gz	CFOYIFBCDHHZPR-RXMQYKEDSA-N	-1	1	308.341	-1.276	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)[n-]n1	ZINC001364064565	918944233	/nfs/dbraw/zinc/94/42/33/918944233.db2.gz	BTFIEKDUNCXMKR-HTRCEHHLSA-N	-1	1	305.312	-1.376	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)n[n-]1	ZINC001364064565	918944243	/nfs/dbraw/zinc/94/42/43/918944243.db2.gz	BTFIEKDUNCXMKR-HTRCEHHLSA-N	-1	1	305.312	-1.376	20	0		DAADMM
CS(C)(=O)=NS(=O)(=O)[N-]CCn1ccc(=O)[nH]c1=O	ZINC001364075799	918946292	/nfs/dbraw/zinc/94/62/92/918946292.db2.gz	RTCXJZMMEZGURF-UHFFFAOYSA-N	-1	1	310.357	-1.489	20	0		DAADMM
C[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)c1nnnn1C	ZINC001364154426	918956402	/nfs/dbraw/zinc/95/64/02/918956402.db2.gz	OBUCXBZDELHQDM-DMWPKQFHSA-N	-1	1	311.393	-1.320	20	0		DAADMM
O=C(c1cnncc1[O-])N1CCS(=O)(=O)C[C@H]1CCO	ZINC001364179765	918959056	/nfs/dbraw/zinc/95/90/56/918959056.db2.gz	FOIPKLMTDHEXIR-MRVPVSSYSA-N	-1	1	301.324	-1.196	20	0		DAADMM
NC(=O)N1CCC[C@H](C(=O)N2CCOC[C@@H]2c2nn[n-]n2)C1	ZINC001364382245	919001567	/nfs/dbraw/zinc/00/15/67/919001567.db2.gz	AVEDCNDXBGCHCT-DTWKUNHWSA-N	-1	1	309.330	-1.110	20	0		DAADMM
NC(=O)c1ccc(CC(=O)N2CCOC[C@@H]2c2nn[n-]n2)cn1	ZINC001364384382	919004730	/nfs/dbraw/zinc/00/47/30/919004730.db2.gz	UYZVLQNFRCZLEM-SNVBAGLBSA-N	-1	1	317.309	-1.164	20	0		DAADMM
Cn1cc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001364384337	919005936	/nfs/dbraw/zinc/00/59/36/919005936.db2.gz	TUJXOQUDTJLXAC-ZETCQYMHSA-N	-1	1	307.270	-1.787	20	0		DAADMM
CCS(=O)(=O)NCC(=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001364384351	919006259	/nfs/dbraw/zinc/00/62/59/919006259.db2.gz	UJSIISLYVFANEV-SSDOTTSWSA-N	-1	1	304.332	-1.961	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N1C[C@@H](CO)[C@H](CCO)C1	ZINC001364453296	919013827	/nfs/dbraw/zinc/01/38/27/919013827.db2.gz	NRKQOYNQDMCHDW-MNOVXSKESA-N	-1	1	323.349	-1.034	20	0		DAADMM
Nc1nc2nc(CN3CCN([C@@H]4CCOC4)CC3)cc(=O)n2[n-]1	ZINC001364451006	919015653	/nfs/dbraw/zinc/01/56/53/919015653.db2.gz	ZSMXIKDZDNCEAL-LLVKDONJSA-N	-1	1	319.369	-1.094	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)Cc1nnc2n1CCN(C)C2=O	ZINC001364495427	919021814	/nfs/dbraw/zinc/02/18/14/919021814.db2.gz	YNJMQDOWEPCLDE-UHFFFAOYSA-N	-1	1	306.330	-1.583	20	0		DAADMM
O=C(C1=NN(CCO)C(=O)CC1)N1CCC(c2nn[n-]n2)CC1	ZINC001364530003	919027902	/nfs/dbraw/zinc/02/79/02/919027902.db2.gz	PORXYGOEPGFLEC-UHFFFAOYSA-N	-1	1	321.341	-1.124	20	0		DAADMM
COCCS(=O)(=O)CC(=O)N1CCC(c2nn[n-]n2)CC1	ZINC001364527579	919028477	/nfs/dbraw/zinc/02/84/77/919028477.db2.gz	FLEMJRQOOGSTEU-UHFFFAOYSA-N	-1	1	317.371	-1.033	20	0		DAADMM
CNS(=O)(=O)CC(=O)NCc1nc2c(c(=O)[n-]1)COCC2	ZINC001364550850	919030106	/nfs/dbraw/zinc/03/01/06/919030106.db2.gz	XMXZFUZRZZONKX-UHFFFAOYSA-N	-1	1	316.339	-1.580	20	0		DAADMM
O=C(CN1CCOCC1=O)NCc1nc2c(c(=O)[n-]1)COCC2	ZINC001364548818	919031377	/nfs/dbraw/zinc/03/13/77/919031377.db2.gz	JMEZZXBPMBMUGQ-UHFFFAOYSA-N	-1	1	322.321	-1.270	20	0		DAADMM
CC(CO)(CO)NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2	ZINC001364723314	919055668	/nfs/dbraw/zinc/05/56/68/919055668.db2.gz	JMQPIBAVARYIFC-UHFFFAOYSA-N	-1	1	312.326	-1.203	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@](C)(O)C2CC2)c(=O)[nH]c1=O	ZINC001364779780	919065369	/nfs/dbraw/zinc/06/53/69/919065369.db2.gz	JWFPCXOSQOQUKN-LLVKDONJSA-N	-1	1	303.340	-1.075	20	0		DAADMM
Cn1[n-]c(CNC2(C(N)=O)CCS(=O)(=O)CC2)nc1=O	ZINC001364785059	919065633	/nfs/dbraw/zinc/06/56/33/919065633.db2.gz	POFDTRJLCJARLZ-UHFFFAOYSA-N	-1	1	303.344	-2.369	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCn2cncn2)c(=O)[nH]c1=O	ZINC001364796543	919068385	/nfs/dbraw/zinc/06/83/85/919068385.db2.gz	BVJMRMIGMREIIP-UHFFFAOYSA-N	-1	1	300.300	-1.944	20	0		DAADMM
CCOC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001364793024	919069233	/nfs/dbraw/zinc/06/92/33/919069233.db2.gz	IJEHVWNREOBDEX-ZETCQYMHSA-N	-1	1	319.339	-1.037	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H](C)C(=O)NCCF)[n-]n1	ZINC001364827135	919076202	/nfs/dbraw/zinc/07/62/02/919076202.db2.gz	MGQDZEQCNXLXQJ-ZCFIWIBFSA-N	-1	1	322.318	-1.051	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H](C)C(=O)NCCF)n[n-]1	ZINC001364827135	919076218	/nfs/dbraw/zinc/07/62/18/919076218.db2.gz	MGQDZEQCNXLXQJ-ZCFIWIBFSA-N	-1	1	322.318	-1.051	20	0		DAADMM
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@]1(O)CCOC1	ZINC001364827931	919076881	/nfs/dbraw/zinc/07/68/81/919076881.db2.gz	KHSADRDDZSSMSQ-CQLKUDPESA-N	-1	1	301.390	-1.453	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@]2(O)CCOC2)c(=O)[nH]c1=O	ZINC001364826903	919078322	/nfs/dbraw/zinc/07/83/22/919078322.db2.gz	FLZPGZBCXNRYRM-SNVBAGLBSA-N	-1	1	305.312	-2.084	20	0		DAADMM
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@H](CO)[C@H]1CCOC1	ZINC001364843183	919080541	/nfs/dbraw/zinc/08/05/41/919080541.db2.gz	QCUOVQCVEXLZRK-IDJBCLPUSA-N	-1	1	315.417	-1.207	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](O)C2)c(=O)[nH]c1=O	ZINC001364855094	919082790	/nfs/dbraw/zinc/08/27/90/919082790.db2.gz	JBQKPBXOSMDBOK-HTQZYQBOSA-N	-1	1	303.340	-1.075	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](O)C2)c(=O)[nH]c1=O	ZINC001364855095	919082850	/nfs/dbraw/zinc/08/28/50/919082850.db2.gz	JBQKPBXOSMDBOK-JGVFFNPUSA-N	-1	1	303.340	-1.075	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H]2COC[C@H]2OC)[n-]n1	ZINC001364857449	919083911	/nfs/dbraw/zinc/08/39/11/919083911.db2.gz	BESNGZJRWPOIBE-JGVFFNPUSA-N	-1	1	305.312	-1.112	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H]2COC[C@H]2OC)n[n-]1	ZINC001364857449	919083927	/nfs/dbraw/zinc/08/39/27/919083927.db2.gz	BESNGZJRWPOIBE-JGVFFNPUSA-N	-1	1	305.312	-1.112	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2CCNC(=O)CC2)c(=O)[nH]c1=O	ZINC001364868301	919086130	/nfs/dbraw/zinc/08/61/30/919086130.db2.gz	CASWTPUQTMZKRZ-ZETCQYMHSA-N	-1	1	316.339	-1.567	20	0		DAADMM
Cn1cc(C[N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)nn1	ZINC001364878505	919089395	/nfs/dbraw/zinc/08/93/95/919089395.db2.gz	RIBSFYZLZNOCGB-UHFFFAOYSA-N	-1	1	300.300	-1.907	20	0		DAADMM
COC(=O)[C@@H](C)CS(=O)(=O)[N-]CC(=O)N=S(C)(C)=O	ZINC001364885183	919090937	/nfs/dbraw/zinc/09/09/37/919090937.db2.gz	DWIJUVUTYTUDFZ-ZETCQYMHSA-N	-1	1	314.385	-1.031	20	0		DAADMM
CN1CCO[C@@H](CS(=O)(=O)[N-][C@]2(C(N)=O)CCOC2)C1	ZINC001364892809	919091372	/nfs/dbraw/zinc/09/13/72/919091372.db2.gz	CNOUMNZVKCWHAB-MWLCHTKSSA-N	-1	1	307.372	-2.119	20	0		DAADMM
CN1CCO[C@@H](CS(=O)(=O)[N-][C@@]2(C(N)=O)CCOC2)C1	ZINC001364892807	919092458	/nfs/dbraw/zinc/09/24/58/919092458.db2.gz	CNOUMNZVKCWHAB-KOLCDFICSA-N	-1	1	307.372	-2.119	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCc2cn(C)nn2)[n-]n1	ZINC001364904692	919093572	/nfs/dbraw/zinc/09/35/72/919093572.db2.gz	NNKGIRGKQVGGBM-UHFFFAOYSA-N	-1	1	300.300	-1.197	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCc2cn(C)nn2)n[n-]1	ZINC001364904692	919093586	/nfs/dbraw/zinc/09/35/86/919093586.db2.gz	NNKGIRGKQVGGBM-UHFFFAOYSA-N	-1	1	300.300	-1.197	20	0		DAADMM
CS(C)(=O)=NS(=O)(=O)[N-][C@H]1CCN(S(C)(=O)=O)C1	ZINC001364900855	919094561	/nfs/dbraw/zinc/09/45/61/919094561.db2.gz	QTFDFDBWOHKRNQ-ZETCQYMHSA-N	-1	1	319.430	-1.418	20	0		DAADMM
COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001364939203	919103604	/nfs/dbraw/zinc/10/36/04/919103604.db2.gz	MFRXIARCZOCZNJ-NXEZZACHSA-N	-1	1	323.353	-1.438	20	0		DAADMM
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001364939206	919103681	/nfs/dbraw/zinc/10/36/81/919103681.db2.gz	MFRXIARCZOCZNJ-VHSXEESVSA-N	-1	1	323.353	-1.438	20	0		DAADMM
CCN(CC)C(=O)C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001364950894	919105910	/nfs/dbraw/zinc/10/59/10/919105910.db2.gz	KWEARJOCOYWZMZ-UHFFFAOYSA-N	-1	1	318.355	-1.367	20	0		DAADMM
COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001365133946	919128591	/nfs/dbraw/zinc/12/85/91/919128591.db2.gz	LAUGBMGSPMUPHV-LURJTMIESA-N	-1	1	305.312	-1.427	20	0		DAADMM
CCOC(=O)C1(S(=O)(=O)[N-][C@H](CO)C(=O)NC)CCC1	ZINC001365377642	919169850	/nfs/dbraw/zinc/16/98/50/919169850.db2.gz	FTDSYVGENRYVBF-MRVPVSSYSA-N	-1	1	308.356	-1.502	20	0		DAADMM
COCC[C@H](COC)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001365412138	919176119	/nfs/dbraw/zinc/17/61/19/919176119.db2.gz	CLEFQBQWRYNZNB-MRVPVSSYSA-N	-1	1	321.355	-1.184	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@H](O)[C@H](CO)C2)[n-]n1	ZINC001365416924	919178479	/nfs/dbraw/zinc/17/84/79/919178479.db2.gz	IMBDRNNMDMXQJO-XPUUQOCRSA-N	-1	1	305.312	-1.830	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@H](O)[C@H](CO)C2)n[n-]1	ZINC001365416924	919178491	/nfs/dbraw/zinc/17/84/91/919178491.db2.gz	IMBDRNNMDMXQJO-XPUUQOCRSA-N	-1	1	305.312	-1.830	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NC[C@H]2CNC(=O)C2)[n-]n1	ZINC001365419968	919179734	/nfs/dbraw/zinc/17/97/34/919179734.db2.gz	YKNHVOFVMPEWFU-ZCFIWIBFSA-N	-1	1	302.312	-1.389	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NC[C@H]2CNC(=O)C2)n[n-]1	ZINC001365419968	919179743	/nfs/dbraw/zinc/17/97/43/919179743.db2.gz	YKNHVOFVMPEWFU-ZCFIWIBFSA-N	-1	1	302.312	-1.389	20	0		DAADMM
CO[C@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)[C@@H]1COC[C@H]1O	ZINC001365437885	919183584	/nfs/dbraw/zinc/18/35/84/919183584.db2.gz	RAPXPYNKCVBQEG-UYXSQOIJSA-N	-1	1	315.369	-2.523	20	0		DAADMM
Cc1nonc1C[N-]S(=O)(=O)CCS(=O)(=O)N(C)C	ZINC001365456693	919190817	/nfs/dbraw/zinc/19/08/17/919190817.db2.gz	ZOEXXWOEYXWQDA-UHFFFAOYSA-N	-1	1	312.373	-1.311	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)CCn3ccnn3)CC2)nc1=O	ZINC001365624980	919204504	/nfs/dbraw/zinc/20/45/04/919204504.db2.gz	CNAKFCDIQGARSB-UHFFFAOYSA-N	-1	1	320.357	-1.566	20	0		DAADMM
CCCNC(=O)C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001365620164	919205603	/nfs/dbraw/zinc/20/56/03/919205603.db2.gz	HLAHHJDDZBWOAS-UHFFFAOYSA-N	-1	1	304.328	-1.710	20	0		DAADMM
C[C@H](Cn1cncn1)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001365643845	919207775	/nfs/dbraw/zinc/20/77/75/919207775.db2.gz	DUJUMNOZXABMDS-SSDOTTSWSA-N	-1	1	314.327	-1.556	20	0		DAADMM
CNS(=O)(=O)CC[N-]S(=O)(=O)c1cc(OC)ns1	ZINC001365701048	919219766	/nfs/dbraw/zinc/21/97/66/919219766.db2.gz	DQYNIWIHGOYDCQ-UHFFFAOYSA-N	-1	1	315.398	-1.021	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C2COC(C)(C)OC2)c(=O)[nH]c1=O	ZINC001365699648	919221418	/nfs/dbraw/zinc/22/14/18/919221418.db2.gz	NCEUADVYSIHLFU-UHFFFAOYSA-N	-1	1	319.339	-1.084	20	0		DAADMM
COC(=O)[C@](C)(CO)[N-]S(=O)(=O)N1CCC(OC)CC1	ZINC001365713211	919223580	/nfs/dbraw/zinc/22/35/80/919223580.db2.gz	DNZRIHWRMNLPPY-NSHDSACASA-N	-1	1	310.372	-1.144	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H](F)C(=O)OC	ZINC001365735810	919231156	/nfs/dbraw/zinc/23/11/56/919231156.db2.gz	VQFZGLGYGQEJTQ-LURJTMIESA-N	-1	1	309.275	-1.014	20	0		DAADMM
COC(=O)[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)[C@@H]1COC[C@H]1O	ZINC001365735274	919232143	/nfs/dbraw/zinc/23/21/43/919232143.db2.gz	NQRVQUPUTOMDQF-GWOFURMSSA-N	-1	1	323.367	-1.224	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001365938678	919250462	/nfs/dbraw/zinc/25/04/62/919250462.db2.gz	OKMHVNHMEVITTI-ONGXEEELSA-N	-1	1	324.385	-1.286	20	0		DAADMM
C[C@H](CNC(=O)C(C)(C)S(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001366334855	919313721	/nfs/dbraw/zinc/31/37/21/919313721.db2.gz	WRSXCYJTVPLPIX-SSDOTTSWSA-N	-1	1	319.387	-1.072	20	0		DAADMM
CN(CCNC(=O)CCn1ccnc1)Cc1nc(=O)n(C)[n-]1	ZINC001366553657	919342920	/nfs/dbraw/zinc/34/29/20/919342920.db2.gz	TULLOMYCEDDREJ-UHFFFAOYSA-N	-1	1	307.358	-1.057	20	0		DAADMM
CN(CCNC(=O)C[C@H]1CCC(=O)N1)Cc1nc(=O)n(C)[n-]1	ZINC001366572453	919349584	/nfs/dbraw/zinc/34/95/84/919349584.db2.gz	DBRKGKBPQYLFOI-SECBINFHSA-N	-1	1	310.358	-1.675	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCCN1Cc1nc(=O)n(C)[n-]1	ZINC001366660150	919362483	/nfs/dbraw/zinc/36/24/83/919362483.db2.gz	LRVJBLKZHDHHTA-ZJUUUORDSA-N	-1	1	324.385	-1.300	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1	ZINC001366660145	919364549	/nfs/dbraw/zinc/36/45/49/919364549.db2.gz	LRVJBLKZHDHHTA-VHSXEESVSA-N	-1	1	324.385	-1.300	20	0		DAADMM
O=C(NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CNC(=O)N1	ZINC001366835433	919387920	/nfs/dbraw/zinc/38/79/20/919387920.db2.gz	NYSRYJAJDNCHEY-DTWKUNHWSA-N	-1	1	323.357	-1.480	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CCc3cncnc3)C2)nc1=O	ZINC001366932216	919398676	/nfs/dbraw/zinc/39/86/76/919398676.db2.gz	TUASZMRKQQFMTR-UHFFFAOYSA-N	-1	1	317.353	-1.168	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)CCn3cncn3)C2)nc1=O	ZINC001366953037	919404812	/nfs/dbraw/zinc/40/48/12/919404812.db2.gz	BHTNTMHWOHRTPF-UHFFFAOYSA-N	-1	1	320.357	-1.662	20	0		DAADMM
CCS(=O)(=O)CC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001366950621	919405371	/nfs/dbraw/zinc/40/53/71/919405371.db2.gz	CSENHHPMDFJHFK-UHFFFAOYSA-N	-1	1	317.371	-2.157	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)CN3CCCC3=O)C2)nc1=O	ZINC001366954049	919406728	/nfs/dbraw/zinc/40/67/28/919406728.db2.gz	GMDTUKXSQVWUIP-UHFFFAOYSA-N	-1	1	322.369	-1.721	20	0		DAADMM
CCn1nncc1C(=O)N(C)CCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001367514507	919474457	/nfs/dbraw/zinc/47/44/57/919474457.db2.gz	RDMDJYQVKBUZFL-UHFFFAOYSA-N	-1	1	322.373	-1.076	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1CCN(C)C(=O)C1	ZINC001367680870	919553671	/nfs/dbraw/zinc/55/36/71/919553671.db2.gz	YMRAOHRCJAYBJG-BDAKNGLRSA-N	-1	1	310.358	-1.027	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)N[C@H](C)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001367779764	919569756	/nfs/dbraw/zinc/56/97/56/919569756.db2.gz	FQQDUKSRYZBZRA-RKDXNWHRSA-N	-1	1	312.374	-1.431	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1CCC(=O)N1C	ZINC001367841481	919580354	/nfs/dbraw/zinc/58/03/54/919580354.db2.gz	RNMXKTAHULBZFH-UWVGGRQHSA-N	-1	1	324.385	-1.334	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)Cc2cc[nH]n2)nc1=O	ZINC001367930524	919589393	/nfs/dbraw/zinc/58/93/93/919589393.db2.gz	FQWJDEHHOXCNNG-JTQLQIEISA-N	-1	1	305.342	-1.235	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)Cc2cc[nH]n2)nc1=O	ZINC001367930530	919589814	/nfs/dbraw/zinc/58/98/14/919589814.db2.gz	FQWJDEHHOXCNNG-SNVBAGLBSA-N	-1	1	305.342	-1.235	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001368068536	919612135	/nfs/dbraw/zinc/61/21/35/919612135.db2.gz	OHIGUAXOMAFIID-QMMMGPOBSA-N	-1	1	310.358	-1.724	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](O)(CNC(=O)c3ccon3)C2)nc1=O	ZINC001368237288	919631027	/nfs/dbraw/zinc/63/10/27/919631027.db2.gz	FCGANEPUTAZVQX-CYBMUJFWSA-N	-1	1	322.325	-1.537	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)C3CCCC3)C2)nc1=O	ZINC001368285068	919664340	/nfs/dbraw/zinc/66/43/40/919664340.db2.gz	JCOWFDHEPUDZGV-UHFFFAOYSA-N	-1	1	309.370	-1.039	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)C3=CCCC3)C2)nc1=O	ZINC001368289784	919669046	/nfs/dbraw/zinc/66/90/46/919669046.db2.gz	OURGUAGAGCXSRH-UHFFFAOYSA-N	-1	1	307.354	-1.118	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C	ZINC001368784526	919775893	/nfs/dbraw/zinc/77/58/93/919775893.db2.gz	XUIASYUUSFQNBS-AEJSXWLSSA-N	-1	1	324.385	-1.301	20	0		DAADMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H](C)NC(=O)CCS(C)(=O)=O	ZINC001368839988	919777852	/nfs/dbraw/zinc/77/78/52/919777852.db2.gz	FNWVNPRUXKRIDC-HTQZYQBOSA-N	-1	1	319.387	-1.072	20	0		DAADMM
C[C@@H](CNC(=O)c1ncn(C)n1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001368938838	919789212	/nfs/dbraw/zinc/78/92/12/919789212.db2.gz	BEDJJPRMFDULHF-QMMMGPOBSA-N	-1	1	308.346	-1.513	20	0		DAADMM
C[C@H](CNC(=O)c1ncn(C)n1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001368938834	919792413	/nfs/dbraw/zinc/79/24/13/919792413.db2.gz	BEDJJPRMFDULHF-MRVPVSSYSA-N	-1	1	308.346	-1.513	20	0		DAADMM
Cc1nonc1CC(=O)NC[C@@H](C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001369006880	919795430	/nfs/dbraw/zinc/79/54/30/919795430.db2.gz	PAIODMTUKWIENY-MRVPVSSYSA-N	-1	1	323.357	-1.021	20	0		DAADMM
CC(=O)N(C)CC(=O)N[C@@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001369080496	919811945	/nfs/dbraw/zinc/81/19/45/919811945.db2.gz	QEVIEJVLIDSQKD-VIFPVBQESA-N	-1	1	324.385	-1.477	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)C[C@@H]2CCCO2)nc1=O	ZINC001369303187	919840164	/nfs/dbraw/zinc/84/01/64/919840164.db2.gz	BZTSGUBIKQOKGF-UWVGGRQHSA-N	-1	1	313.358	-1.756	20	0		DAADMM
Cc1ocnc1C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001369308505	919842400	/nfs/dbraw/zinc/84/24/00/919842400.db2.gz	NLAMCVIMMCAALZ-QMMMGPOBSA-N	-1	1	310.314	-1.715	20	0		DAADMM
CO[C@H](C)C(=O)NC[C@@H](CO)NCc1cc(=O)n2[n-]ccc2n1	ZINC001369310128	919844444	/nfs/dbraw/zinc/84/44/44/919844444.db2.gz	RBUYLHLAUSTYTJ-KOLCDFICSA-N	-1	1	323.353	-1.376	20	0		DAADMM
Cc1cc(CC(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)no1	ZINC001369319387	919852185	/nfs/dbraw/zinc/85/21/85/919852185.db2.gz	LFESXGCYHZAZAF-SNVBAGLBSA-N	-1	1	324.341	-1.786	20	0		DAADMM
Cc1cc(CC(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)no1	ZINC001369319370	919852402	/nfs/dbraw/zinc/85/24/02/919852402.db2.gz	LFESXGCYHZAZAF-JTQLQIEISA-N	-1	1	324.341	-1.786	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)[C@@H]2CCC2(F)F)nc1=O	ZINC001369327038	919860972	/nfs/dbraw/zinc/86/09/72/919860972.db2.gz	HRZCAXOAGPSTLZ-SFYZADRCSA-N	-1	1	319.312	-1.280	20	0		DAADMM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@@H](CO)NCCF	ZINC001369365859	919904425	/nfs/dbraw/zinc/90/44/25/919904425.db2.gz	SDNCDSAABPMQRA-QMMMGPOBSA-N	-1	1	312.305	-1.893	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)[C@H]1COCCO1	ZINC001369455049	919933135	/nfs/dbraw/zinc/93/31/35/919933135.db2.gz	ZIXMHZJHYJVHEB-DTWKUNHWSA-N	-1	1	315.330	-2.165	20	0		DAADMM
CO[C@H](C)CC(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001369452697	919933468	/nfs/dbraw/zinc/93/34/68/919933468.db2.gz	GPPSQGBLIWZMGD-BDAKNGLRSA-N	-1	1	301.347	-1.156	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1cncn1C	ZINC001369472684	919948699	/nfs/dbraw/zinc/94/86/99/919948699.db2.gz	KNLRYIASXHZPBJ-QMMMGPOBSA-N	-1	1	309.330	-1.534	20	0		DAADMM
NC(=O)NC(=O)CN1CC[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001369978188	920025012	/nfs/dbraw/zinc/02/50/12/920025012.db2.gz	MGTDLCCQXBRLDJ-QMMMGPOBSA-N	-1	1	307.310	-1.214	20	0		DAADMM
CCN1C[C@@H](C(=O)NC[C@H](C)NCc2n[nH]c(=O)[n-]2)CC1=O	ZINC001371188776	920235780	/nfs/dbraw/zinc/23/57/80/920235780.db2.gz	AYDBUWBXYKUJEE-IUCAKERBSA-N	-1	1	310.358	-1.027	20	0		DAADMM
C[C@H](CNC(=O)Cn1ccccc1=O)NCc1n[nH]c(=O)[n-]1	ZINC001371456648	920260402	/nfs/dbraw/zinc/26/04/02/920260402.db2.gz	MBVSAWYLTMJVLV-SECBINFHSA-N	-1	1	306.326	-1.034	20	0		DAADMM
CC(=O)NCC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC001371525154	920274635	/nfs/dbraw/zinc/27/46/35/920274635.db2.gz	VNYYIFOUXGESLD-KOLCDFICSA-N	-1	1	322.321	-1.775	20	0		DAADMM
COC(=O)[C@@H]1C[C@@H]1C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001371925850	920310002	/nfs/dbraw/zinc/31/00/02/920310002.db2.gz	DDQIBYDNRUNNIQ-DTWKUNHWSA-N	-1	1	311.342	-1.535	20	0		DAADMM
COC(=O)[C@H]1C[C@@H]1C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001371925854	920310716	/nfs/dbraw/zinc/31/07/16/920310716.db2.gz	DDQIBYDNRUNNIQ-IUCAKERBSA-N	-1	1	311.342	-1.535	20	0		DAADMM
CCN(CCNC(=O)[C@@H]1CCNC(=O)C1)Cc1nc(=O)n(C)[n-]1	ZINC001372304727	920362576	/nfs/dbraw/zinc/36/25/76/920362576.db2.gz	ITQPJCBTFDEEFH-SNVBAGLBSA-N	-1	1	324.385	-1.427	20	0		DAADMM
CCN(CCNC(=O)C1CN(C(C)=O)C1)Cc1nc(=O)n(C)[n-]1	ZINC001372319293	920365817	/nfs/dbraw/zinc/36/58/17/920365817.db2.gz	LENLWWJNCVJJPQ-UHFFFAOYSA-N	-1	1	324.385	-1.475	20	0		DAADMM
CCN(CCNC(=O)c1cnn(C)n1)Cc1nc(=O)n(C)[n-]1	ZINC001372430142	920372673	/nfs/dbraw/zinc/37/26/73/920372673.db2.gz	DIZKBCVAQOCWCG-UHFFFAOYSA-N	-1	1	308.346	-1.511	20	0		DAADMM
Cn1cc(C(=O)NCCN(Cc2nc(=O)n(C)[n-]2)C2CC2)nn1	ZINC001372799777	920413865	/nfs/dbraw/zinc/41/38/65/920413865.db2.gz	JIWDXOITJBLDGQ-UHFFFAOYSA-N	-1	1	320.357	-1.369	20	0		DAADMM
C[C@H](CNC(=O)Cn1ncnn1)NC(=O)c1ncccc1[O-]	ZINC001372885477	920429563	/nfs/dbraw/zinc/42/95/63/920429563.db2.gz	XOBRIUDHYIZXFU-MRVPVSSYSA-N	-1	1	305.298	-1.292	20	0		DAADMM
CCNC(=O)CCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001373584961	920530483	/nfs/dbraw/zinc/53/04/83/920530483.db2.gz	KPWSXKDQBHLKRY-JTQLQIEISA-N	-1	1	324.385	-1.285	20	0		DAADMM
CC[C@H](CNC(=O)CCS(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001373759661	920558864	/nfs/dbraw/zinc/55/88/64/920558864.db2.gz	FMDKSBWVMIHTEA-MRVPVSSYSA-N	-1	1	319.387	-1.071	20	0		DAADMM
Cn1nnnc1CNC[C@H](O)CNC(=O)c1ncccc1[O-]	ZINC001374596618	920634502	/nfs/dbraw/zinc/63/45/02/920634502.db2.gz	UMJXVKWMWSIQCF-QMMMGPOBSA-N	-1	1	307.314	-1.809	20	0		DAADMM
Cn1nnc(CNC[C@H](O)CNC(=O)c2ncccc2[O-])n1	ZINC001374597369	920635505	/nfs/dbraw/zinc/63/55/05/920635505.db2.gz	XMOUKFNBTWIFFN-QMMMGPOBSA-N	-1	1	307.314	-1.809	20	0		DAADMM
O=C(Cn1cnnn1)NCC1CN(C(=O)c2ncccc2[O-])C1	ZINC001374789814	920713279	/nfs/dbraw/zinc/71/32/79/920713279.db2.gz	XOWKJCNOOPERHG-UHFFFAOYSA-N	-1	1	317.309	-1.338	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)CCCS(C)(=O)=O	ZINC001374821401	920714590	/nfs/dbraw/zinc/71/45/90/920714590.db2.gz	OJKHEMJFZPYDQD-MRVPVSSYSA-N	-1	1	319.387	-1.071	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)C1=COCCO1	ZINC001374991467	920736238	/nfs/dbraw/zinc/73/62/38/920736238.db2.gz	JTJDXVDVXZFRLU-VIFPVBQESA-N	-1	1	311.342	-1.067	20	0		DAADMM
O=C(N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1)[C@@H]1CCC(=O)N1	ZINC001375272966	920758899	/nfs/dbraw/zinc/75/88/99/920758899.db2.gz	QEGMDSUMAIPVJG-IUCAKERBSA-N	-1	1	308.342	-1.227	20	0		DAADMM
O=C(CCc1c[nH]nn1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001375347162	920769205	/nfs/dbraw/zinc/76/92/05/920769205.db2.gz	XKNJEIFERGCVAF-SECBINFHSA-N	-1	1	306.330	-1.048	20	0		DAADMM
O=C(CCc1cnn[nH]1)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001375347162	920769213	/nfs/dbraw/zinc/76/92/13/920769213.db2.gz	XKNJEIFERGCVAF-SECBINFHSA-N	-1	1	306.330	-1.048	20	0		DAADMM
CC(=O)NCC(=O)N[C@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001375809861	920808234	/nfs/dbraw/zinc/80/82/34/920808234.db2.gz	FOZLVKDTTDGNFZ-CYBMUJFWSA-N	-1	1	310.358	-1.675	20	0		DAADMM
CCC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001376127309	920866258	/nfs/dbraw/zinc/86/62/58/920866258.db2.gz	YABDJPODFGDUCB-NXEZZACHSA-N	-1	1	324.385	-1.286	20	0		DAADMM
CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001376127311	920866598	/nfs/dbraw/zinc/86/65/98/920866598.db2.gz	YABDJPODFGDUCB-UWVGGRQHSA-N	-1	1	324.385	-1.286	20	0		DAADMM
CS(=O)(=O)CC(=O)NC[C@H](NCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001376204279	920888801	/nfs/dbraw/zinc/88/88/01/920888801.db2.gz	RQROLROECQLORX-QMMMGPOBSA-N	-1	1	317.371	-1.461	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)[C@H]3CC34CC4)C2)nc1=O	ZINC001376244334	920902347	/nfs/dbraw/zinc/90/23/47/920902347.db2.gz	YBCCFBJCVNIOQN-SECBINFHSA-N	-1	1	307.354	-1.429	20	0		DAADMM
CS(=O)(=O)CC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCC1	ZINC001376711701	921016721	/nfs/dbraw/zinc/01/67/21/921016721.db2.gz	VOKUAZDLPADFHQ-UHFFFAOYSA-N	-1	1	317.371	-1.317	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)CCNC(N)=O)C2)nc1=O	ZINC001378014811	921898973	/nfs/dbraw/zinc/89/89/73/921898973.db2.gz	IFYWSGQOZPEXKL-UHFFFAOYSA-N	-1	1	311.346	-2.285	20	0		DAADMM
C[C@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CN(CCO)C1	ZINC001378516880	921971574	/nfs/dbraw/zinc/97/15/74/921971574.db2.gz	FKRQBWDDDQIFCO-QMMMGPOBSA-N	-1	1	311.342	-1.356	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)[C@H]1CN(C)C(=O)N1	ZINC001378801824	922009419	/nfs/dbraw/zinc/00/94/19/922009419.db2.gz	IKEWLDKAODIZRF-JGVFFNPUSA-N	-1	1	311.346	-1.530	20	0		DAADMM
COC(=O)NCC(=O)N(C)C[C@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001379086532	922032461	/nfs/dbraw/zinc/03/24/61/922032461.db2.gz	YDBAAYSGXDOGEQ-ZETCQYMHSA-N	-1	1	300.319	-1.197	20	0		DAADMM
O=C(NC[C@H](CO)NCc1cc(=O)n2[n-]ccc2n1)C1CC1	ZINC001379338686	922126346	/nfs/dbraw/zinc/12/63/46/922126346.db2.gz	ZBGQJFXZLNQWMD-LLVKDONJSA-N	-1	1	305.338	-1.001	20	0		DAADMM
O=C(NC[C@@H](CO)NCc1cc(=O)n2[n-]ccc2n1)C1CC1	ZINC001379338689	922126855	/nfs/dbraw/zinc/12/68/55/922126855.db2.gz	ZBGQJFXZLNQWMD-NSHDSACASA-N	-1	1	305.338	-1.001	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@H](C)S(C)(=O)=O	ZINC001379391379	922147325	/nfs/dbraw/zinc/14/73/25/922147325.db2.gz	ZQLDAYQIYTZZAA-RQJHMYQMSA-N	-1	1	305.360	-1.462	20	0		DAADMM
Cc1nc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)co1	ZINC001379395928	922152207	/nfs/dbraw/zinc/15/22/07/922152207.db2.gz	PVSXBDZMYLNJPF-QMMMGPOBSA-N	-1	1	310.314	-1.715	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1CCN(C)C(=O)C1	ZINC001379519736	922212523	/nfs/dbraw/zinc/21/25/23/922212523.db2.gz	YMRAOHRCJAYBJG-IUCAKERBSA-N	-1	1	310.358	-1.027	20	0		DAADMM
CNC(=O)NCC(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)C[C@@H]1C	ZINC001379570336	922228084	/nfs/dbraw/zinc/22/80/84/922228084.db2.gz	FKQHDKLOBOVCQD-JGVFFNPUSA-N	-1	1	311.346	-1.482	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)C[C@@H]1CCNC1=O	ZINC001379678836	922240864	/nfs/dbraw/zinc/24/08/64/922240864.db2.gz	JSGXALYROUADOQ-ZJUUUORDSA-N	-1	1	324.385	-1.429	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@]1(C)CCC(=O)N1	ZINC001379747743	922248320	/nfs/dbraw/zinc/24/83/20/922248320.db2.gz	XCLVBIJOYHMKPF-OTYXRUKQSA-N	-1	1	324.385	-1.286	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)Cn2ncnn2)nc1=O	ZINC001379975198	922309247	/nfs/dbraw/zinc/30/92/47/922309247.db2.gz	UPUXVXOTPHNWNY-MRVPVSSYSA-N	-1	1	307.318	-2.514	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](O)(CNC(=O)c3ccc[nH]3)C2)nc1=O	ZINC001380519741	922369927	/nfs/dbraw/zinc/36/99/27/922369927.db2.gz	UIHIKTUZGGUDFI-CQSZACIVSA-N	-1	1	320.353	-1.197	20	0		DAADMM
Cc1ocnc1C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001380566945	922394273	/nfs/dbraw/zinc/39/42/73/922394273.db2.gz	HIASMDJFAXNTFL-UHFFFAOYSA-N	-1	1	322.325	-1.618	20	0		DAADMM
Cc1cnoc1C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001380639219	922431658	/nfs/dbraw/zinc/43/16/58/922431658.db2.gz	XNQYSJJRQDCXDD-UHFFFAOYSA-N	-1	1	322.325	-1.618	20	0		DAADMM
COC(=O)NCC(=O)N1C[C@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001381094918	922496295	/nfs/dbraw/zinc/49/62/95/922496295.db2.gz	CWEBDLLYWBKHLG-JGVFFNPUSA-N	-1	1	312.330	-1.197	20	0		DAADMM
COC(=O)NCC(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H](C)C1	ZINC001381094925	922498597	/nfs/dbraw/zinc/49/85/97/922498597.db2.gz	CWEBDLLYWBKHLG-YUMQZZPRSA-N	-1	1	312.330	-1.197	20	0		DAADMM
C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001381565323	922533528	/nfs/dbraw/zinc/53/35/28/922533528.db2.gz	AXXDQGOSRUPOBC-SFYZADRCSA-N	-1	1	311.346	-2.274	20	0		DAADMM
C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001381540219	922536214	/nfs/dbraw/zinc/53/62/14/922536214.db2.gz	JWRXGXVUOFIPDC-VHSXEESVSA-N	-1	1	324.385	-1.429	20	0		DAADMM
C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001381584859	922538017	/nfs/dbraw/zinc/53/80/17/922538017.db2.gz	DHIJLORPYXAHJV-ZJUUUORDSA-N	-1	1	324.385	-1.286	20	0		DAADMM
C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001381584842	922538935	/nfs/dbraw/zinc/53/89/35/922538935.db2.gz	DHIJLORPYXAHJV-NXEZZACHSA-N	-1	1	324.385	-1.286	20	0		DAADMM
C[C@@H](CN(C)C(=O)Cn1ncn(C)c1=O)NCc1n[nH]c(=O)[n-]1	ZINC001382103991	922583663	/nfs/dbraw/zinc/58/36/63/922583663.db2.gz	UURRYUKBYBNNFX-QMMMGPOBSA-N	-1	1	324.345	-1.958	20	0		DAADMM
C[C@@H](CN(C)C(=O)c1c[nH]c(=O)cn1)NCc1n[nH]c(=O)[n-]1	ZINC001382116285	922585515	/nfs/dbraw/zinc/58/55/15/922585515.db2.gz	GSLSNAIHJCDWGS-ZETCQYMHSA-N	-1	1	307.314	-1.156	20	0		DAADMM
Cc1noc(C)c1C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001382182847	922597128	/nfs/dbraw/zinc/59/71/28/922597128.db2.gz	UMOVDJHVVZCFPL-VIFPVBQESA-N	-1	1	324.341	-1.406	20	0		DAADMM
Cc1noc(C)c1C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001382182844	922598064	/nfs/dbraw/zinc/59/80/64/922598064.db2.gz	UMOVDJHVVZCFPL-SECBINFHSA-N	-1	1	324.341	-1.406	20	0		DAADMM
Cn1cnc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)c1	ZINC001382200343	922611176	/nfs/dbraw/zinc/61/11/76/922611176.db2.gz	RIDAAYDUXWBSOM-MRVPVSSYSA-N	-1	1	309.330	-2.278	20	0		DAADMM
Cc1cc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)co1	ZINC001382198890	922611601	/nfs/dbraw/zinc/61/16/01/922611601.db2.gz	KEACJSZXHWPTAC-JTQLQIEISA-N	-1	1	309.326	-1.110	20	0		DAADMM
CCn1cc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)cn1	ZINC001382198804	922611643	/nfs/dbraw/zinc/61/16/43/922611643.db2.gz	ZGKRKLQAPQKBEZ-SNVBAGLBSA-N	-1	1	323.357	-1.795	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)C2=CCOCC2)nc1=O	ZINC001382202943	922616058	/nfs/dbraw/zinc/61/60/58/922616058.db2.gz	YOTURTXFVVKESZ-JTQLQIEISA-N	-1	1	311.342	-1.978	20	0		DAADMM
Cc1ccc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)nn1	ZINC001382213213	922622630	/nfs/dbraw/zinc/62/26/30/922622630.db2.gz	KAFINXYYDNHZMQ-SECBINFHSA-N	-1	1	321.341	-1.913	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)C2(CCF)CC2)nc1=O	ZINC001382234801	922635352	/nfs/dbraw/zinc/63/53/52/922635352.db2.gz	YYFBSQFJPFQILC-SECBINFHSA-N	-1	1	315.349	-1.185	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)c2ccncn2)nc1=O	ZINC001382246536	922641493	/nfs/dbraw/zinc/64/14/93/922641493.db2.gz	ACIYBBCWRXWSKA-QMMMGPOBSA-N	-1	1	307.314	-2.221	20	0		DAADMM
Cc1nc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)c(C)o1	ZINC001382254846	922644553	/nfs/dbraw/zinc/64/45/53/922644553.db2.gz	OWXMINSRHXXDNG-SECBINFHSA-N	-1	1	324.341	-1.406	20	0		DAADMM
Cn1cncc1CC(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001382265587	922652852	/nfs/dbraw/zinc/65/28/52/922652852.db2.gz	JVHVXJVSQRMNPM-VIFPVBQESA-N	-1	1	323.357	-2.349	20	0		DAADMM
Cc1cc(C(=O)N(C)C[C@H](O)CNCc2n[nH]c(=O)[n-]2)ncn1	ZINC001382381207	922706534	/nfs/dbraw/zinc/70/65/34/922706534.db2.gz	CKKBURREPLSJRJ-SECBINFHSA-N	-1	1	321.341	-1.169	20	0		DAADMM
Cc1nnccc1C(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001382401349	922724225	/nfs/dbraw/zinc/72/42/25/922724225.db2.gz	NTFGZRIDANBOFG-VIFPVBQESA-N	-1	1	321.341	-1.169	20	0		DAADMM
COCC(=O)N[C@H](CO)CNC(=O)c1cnc(C2CC2)[n-]c1=O	ZINC001383925690	922980282	/nfs/dbraw/zinc/98/02/82/922980282.db2.gz	VWYXGSPZDUTLFL-VIFPVBQESA-N	-1	1	324.337	-1.087	20	0		DAADMM
C[C@@H](CNC(=O)C(F)F)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001386144701	923233266	/nfs/dbraw/zinc/23/32/66/923233266.db2.gz	QAAKWMTWNZNBDX-YFKPBYRVSA-N	-1	1	314.252	-1.083	20	0		DAADMM
C[C@@H](CNC(=O)c1nnn(C)n1)NC(=O)c1ncccc1[O-]	ZINC001387035418	923347419	/nfs/dbraw/zinc/34/74/19/923347419.db2.gz	KAZOSWFJRZLWFM-ZETCQYMHSA-N	-1	1	305.298	-1.141	20	0		DAADMM
COCC(=O)NC1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001389104159	923555578	/nfs/dbraw/zinc/55/55/78/923555578.db2.gz	HGDZEKCNCMOGOP-UHFFFAOYSA-N	-1	1	306.282	-1.995	20	0		DAADMM
C[C@@H](CNC(=O)Cn1cnnn1)NC(=O)c1ncccc1[O-]	ZINC001389325796	923603913	/nfs/dbraw/zinc/60/39/13/923603913.db2.gz	CCFSICUZRDTKHK-QMMMGPOBSA-N	-1	1	305.298	-1.292	20	0		DAADMM
O=C(Cn1ncnn1)NC1(CNC(=O)c2ncccc2[O-])CC1	ZINC001389823028	923686338	/nfs/dbraw/zinc/68/63/38/923686338.db2.gz	KWRFHVKOESLRBR-UHFFFAOYSA-N	-1	1	317.309	-1.148	20	0		DAADMM
Cn1[n-]c(C[NH2+][C@H]2C[C@@H](NC(=O)CNC(=O)C3CC3)C2)nc1=O	ZINC001389935255	923700063	/nfs/dbraw/zinc/70/00/63/923700063.db2.gz	PWEMFFPFZJVGFY-AOOOYVTPSA-N	-1	1	322.369	-1.629	20	0		DAADMM
C[C@@H](CNC(=O)CC1CS(=O)(=O)C1)NCc1n[nH]c(=O)[n-]1	ZINC001390409927	923735367	/nfs/dbraw/zinc/73/53/67/923735367.db2.gz	PGIHDAFHZXHTCL-ZETCQYMHSA-N	-1	1	317.371	-1.461	20	0		DAADMM
CN(CCNC(=O)[C@H]1CCCC(=O)N1)Cc1nc(=O)n(C)[n-]1	ZINC001390777765	923778002	/nfs/dbraw/zinc/77/80/02/923778002.db2.gz	JUJPRZKDLQTISU-SECBINFHSA-N	-1	1	310.358	-1.675	20	0		DAADMM
COc1ncc(C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)cn1	ZINC001390842258	923785506	/nfs/dbraw/zinc/78/55/06/923785506.db2.gz	HBJVIAIPVKRJOG-UHFFFAOYSA-N	-1	1	321.341	-1.231	20	0		DAADMM
Cc1nonc1CC(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001390837618	923785996	/nfs/dbraw/zinc/78/59/96/923785996.db2.gz	LYDCOUUUZCCJQA-UHFFFAOYSA-N	-1	1	309.330	-1.409	20	0		DAADMM
C[C@H](C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1)[C@H]1CCC(=O)N1	ZINC001390817770	923786178	/nfs/dbraw/zinc/78/61/78/923786178.db2.gz	MFGKRWKTYWFUCS-VHSXEESVSA-N	-1	1	324.385	-1.429	20	0		DAADMM
CCN(CCNC(=O)c1nnn(C)c1C)Cc1nc(=O)n(C)[n-]1	ZINC001390908233	923793890	/nfs/dbraw/zinc/79/38/90/923793890.db2.gz	PXGZZQASQIPWFM-UHFFFAOYSA-N	-1	1	322.373	-1.203	20	0		DAADMM
CCN(CCNC(=O)[C@@H](C)n1cncn1)Cc1nc(=O)n(C)[n-]1	ZINC001390900869	923794378	/nfs/dbraw/zinc/79/43/78/923794378.db2.gz	LKGNTOVLZUMZMS-SNVBAGLBSA-N	-1	1	322.373	-1.101	20	0		DAADMM
CCN(CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)Cc1nc(=O)n(C)[n-]1	ZINC001390970947	923798701	/nfs/dbraw/zinc/79/87/01/923798701.db2.gz	UNEXCSGGWKIUEM-IAZYJMLFSA-N	-1	1	309.370	-1.061	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](CNC(=O)Cn3cnnn3)C2)nc1=O	ZINC001391089292	923806539	/nfs/dbraw/zinc/80/65/39/923806539.db2.gz	YSZSYHMDBKZJQE-VIFPVBQESA-N	-1	1	321.345	-2.267	20	0		DAADMM
Cn1cc(CCC(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC001391458814	923843921	/nfs/dbraw/zinc/84/39/21/923843921.db2.gz	MJVGQOGYGAVODV-UHFFFAOYSA-N	-1	1	319.369	-1.225	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)C[C@@H]3CCNC3=O)C2)nc1=O	ZINC001391492611	923847369	/nfs/dbraw/zinc/84/73/69/923847369.db2.gz	PUSWCRZCQDEUDL-JTQLQIEISA-N	-1	1	322.369	-1.817	20	0		DAADMM
CC(=O)N(C)CC(=O)N(C)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001391602196	923864880	/nfs/dbraw/zinc/86/48/80/923864880.db2.gz	LYSMFNNHOGZERU-LLVKDONJSA-N	-1	1	324.385	-1.381	20	0		DAADMM
CN(CCN(C)C(=O)[C@@H]1CNC(=O)N1)Cc1nc(=O)n(C)[n-]1	ZINC001392301297	923958653	/nfs/dbraw/zinc/95/86/53/923958653.db2.gz	XYPVHLSABSPWLS-QMMMGPOBSA-N	-1	1	311.346	-2.320	20	0		DAADMM
CN(CCN(C)C(=O)CCCC(N)=O)Cc1nc(=O)n(C)[n-]1	ZINC001392337945	923962256	/nfs/dbraw/zinc/96/22/56/923962256.db2.gz	YXPQQMHEWMJQPG-UHFFFAOYSA-N	-1	1	312.374	-1.346	20	0		DAADMM
C[C@@]1(C(=O)NC[C@H](O)CNCc2n[nH]c(=O)[n-]2)CCCOC1	ZINC001392412571	924018666	/nfs/dbraw/zinc/01/86/66/924018666.db2.gz	WFGCDYXLLJNQEJ-NOZJJQNGSA-N	-1	1	313.358	-1.106	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CCc2nncn2C1	ZINC001392536975	924046176	/nfs/dbraw/zinc/04/61/76/924046176.db2.gz	NZGJLLYIIZKIAU-RKDXNWHRSA-N	-1	1	320.357	-1.041	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1ccc(=O)[nH]n1	ZINC001392626131	924058611	/nfs/dbraw/zinc/05/86/11/924058611.db2.gz	AUGBMGYNUVUMAU-QMMMGPOBSA-N	-1	1	321.341	-1.146	20	0		DAADMM
C[C@H](NC(N)=O)C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001392829074	924083799	/nfs/dbraw/zinc/08/37/99/924083799.db2.gz	MOIWTWMCRXEOHD-JGVFFNPUSA-N	-1	1	311.346	-2.144	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](C)(NC(=O)Cn3ncnn3)C2)nc1=O	ZINC001393099371	924117406	/nfs/dbraw/zinc/11/74/06/924117406.db2.gz	BIJPCGMSWMKTSR-GFCCVEGCSA-N	-1	1	321.345	-2.124	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](O)(CNC(=O)C3(C)CC3)C2)nc1=O	ZINC001393250232	924137125	/nfs/dbraw/zinc/13/71/25/924137125.db2.gz	OKOREROGLLHADM-CQSZACIVSA-N	-1	1	309.370	-1.039	20	0		DAADMM
CCNC(=O)CN1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001393304909	924164018	/nfs/dbraw/zinc/16/40/18/924164018.db2.gz	WWVAAAWZSDJQDF-UHFFFAOYSA-N	-1	1	308.338	-1.300	20	0		DAADMM
Cn1ncc(CN2CC(O)(CNC(=O)c3ncccc3[O-])C2)n1	ZINC001393302802	924164359	/nfs/dbraw/zinc/16/43/59/924164359.db2.gz	NKSBPFUNLKOSCA-UHFFFAOYSA-N	-1	1	318.337	-1.108	20	0		DAADMM
Cc1n[nH]cc1C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001393332106	924179787	/nfs/dbraw/zinc/17/97/87/924179787.db2.gz	VQCKJYJDBXUSOG-UHFFFAOYSA-N	-1	1	321.341	-1.883	20	0		DAADMM
CO[C@H](C)C(=O)NC[C@@H]1COCCN1Cc1nc(=O)n(C)[n-]1	ZINC001393497130	924216958	/nfs/dbraw/zinc/21/69/58/924216958.db2.gz	GRMZPTLHBCQYRF-NXEZZACHSA-N	-1	1	313.358	-1.540	20	0		DAADMM
C[C@@H](NC(=O)CN1CCOCC1)[C@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001393922854	924268915	/nfs/dbraw/zinc/26/89/15/924268915.db2.gz	DCZDGGAIOXXKBP-VHSXEESVSA-N	-1	1	312.374	-1.175	20	0		DAADMM
C[C@@H](CNC(=O)[C@@H]1COCCO1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001394039081	924274223	/nfs/dbraw/zinc/27/42/23/924274223.db2.gz	AWBPQFIQLXMEJJ-UWVGGRQHSA-N	-1	1	313.358	-1.540	20	0		DAADMM
CCn1nncc1C(=O)NC[C@@H](C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001394068885	924278349	/nfs/dbraw/zinc/27/83/49/924278349.db2.gz	RPNRFEGUBKZUBZ-SECBINFHSA-N	-1	1	322.373	-1.030	20	0		DAADMM
C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001394079313	924278753	/nfs/dbraw/zinc/27/87/53/924278753.db2.gz	MJWQVNVLGMPBKR-VHSXEESVSA-N	-1	1	324.385	-1.286	20	0		DAADMM
C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)[C@@H]1CCNC1=O	ZINC001394128213	924284317	/nfs/dbraw/zinc/28/43/17/924284317.db2.gz	CKHSCHNATYAAHP-JGVFFNPUSA-N	-1	1	312.330	-1.986	20	0		DAADMM
CC(=O)N1CC(C(=O)N(C)C[C@@H](C)NCc2n[nH]c(=O)[n-]2)C1	ZINC001394461079	924301517	/nfs/dbraw/zinc/30/15/17/924301517.db2.gz	BIKUZYULYBHTGT-MRVPVSSYSA-N	-1	1	310.358	-1.075	20	0		DAADMM
CC(=O)N1CC(C(=O)N(C)C[C@H](C)NCc2n[nH]c(=O)[n-]2)C1	ZINC001394461085	924304581	/nfs/dbraw/zinc/30/45/81/924304581.db2.gz	BIKUZYULYBHTGT-QMMMGPOBSA-N	-1	1	310.358	-1.075	20	0		DAADMM
CC(C)SCC(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001394569870	924311394	/nfs/dbraw/zinc/31/13/94/924311394.db2.gz	HRMWOZNHWRSJCL-VIFPVBQESA-N	-1	1	317.415	-1.183	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)C2CC(F)(F)C2)nc1=O	ZINC001394577221	924316360	/nfs/dbraw/zinc/31/63/60/924316360.db2.gz	HIDYWCDJZSPJKX-MRVPVSSYSA-N	-1	1	319.312	-1.280	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)[C@@H]2CCCOC2)nc1=O	ZINC001394580316	924319629	/nfs/dbraw/zinc/31/96/29/924319629.db2.gz	XJEDOKMKVUCPIJ-NXEZZACHSA-N	-1	1	313.358	-1.898	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)[C@H]2C[C@@H]2C(F)F)nc1=O	ZINC001394586818	924324886	/nfs/dbraw/zinc/32/48/86/924324886.db2.gz	YPSNINPNHBVJIV-CSMHCCOUSA-N	-1	1	319.312	-1.424	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)Cn1cccn1	ZINC001394730075	924366170	/nfs/dbraw/zinc/36/61/70/924366170.db2.gz	TYVDZXPNPDEKKU-SECBINFHSA-N	-1	1	309.330	-1.684	20	0		DAADMM
CN(CCNC(=O)[C@@H]1CCC(=O)N1C)Cc1nc(=O)n(C)[n-]1	ZINC001399572561	924711419	/nfs/dbraw/zinc/71/14/19/924711419.db2.gz	VUPFVFIDLFBGGT-VIFPVBQESA-N	-1	1	310.358	-1.723	20	0		DAADMM
CCN(CCNC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CCN(C)C1=O	ZINC001399728375	924720226	/nfs/dbraw/zinc/72/02/26/924720226.db2.gz	ABZZBDYGBQSPAI-QMMMGPOBSA-N	-1	1	324.341	-1.435	20	0		DAADMM
CC(=O)NCC(=O)NCC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001400133094	924773666	/nfs/dbraw/zinc/77/36/66/924773666.db2.gz	NHQGYCPLXYQTGC-SNVBAGLBSA-N	-1	1	310.358	-1.025	20	0		DAADMM
Cn1nnc(C(=O)NCC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1	ZINC001400183080	924776281	/nfs/dbraw/zinc/77/62/81/924776281.db2.gz	ZNBMZXVJYCCIOS-QMMMGPOBSA-N	-1	1	321.345	-1.324	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)[C@H]1CCNC(=O)C1	ZINC001401214890	924850731	/nfs/dbraw/zinc/85/07/31/924850731.db2.gz	KMRQZLPCHVSJEA-BDAKNGLRSA-N	-1	1	310.358	-1.027	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)c1cn(C)c(=O)n1C	ZINC001401270246	924852933	/nfs/dbraw/zinc/85/29/33/924852933.db2.gz	ZATHCRMBKMNUTL-QMMMGPOBSA-N	-1	1	323.357	-1.202	20	0		DAADMM
CN(CCCO)CCN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC001401411405	924857053	/nfs/dbraw/zinc/85/70/53/924857053.db2.gz	ZKOVVDATOJZDPG-UHFFFAOYSA-N	-1	1	322.369	-1.156	20	0		DAADMM
CN(CCN(C)C(=O)[C@H]1CCC(=O)NC1)Cc1nc(=O)n(C)[n-]1	ZINC001401376374	924858883	/nfs/dbraw/zinc/85/88/83/924858883.db2.gz	PZILSHRTISBGJL-JTQLQIEISA-N	-1	1	324.385	-1.475	20	0		DAADMM
CN(CCN(C)C(=O)Cc1cncn1C)Cc1nc(=O)n(C)[n-]1	ZINC001401433338	924861243	/nfs/dbraw/zinc/86/12/43/924861243.db2.gz	BOTUYOUYIXPONW-UHFFFAOYSA-N	-1	1	321.385	-1.025	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)CN1CCCNC1=O	ZINC001401631429	924907561	/nfs/dbraw/zinc/90/75/61/924907561.db2.gz	GJBMBDMSJYMCHC-MRVPVSSYSA-N	-1	1	311.346	-1.480	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)CS(C)(=O)=O)nc1=O	ZINC001401873825	924927051	/nfs/dbraw/zinc/92/70/51/924927051.db2.gz	SJZYFDVANROXCP-QMMMGPOBSA-N	-1	1	317.371	-2.157	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)CNC(=O)C2CC2)nc1=O	ZINC001401888319	924928818	/nfs/dbraw/zinc/92/88/18/924928818.db2.gz	VATZSHGJRANINW-JTQLQIEISA-N	-1	1	322.369	-1.675	20	0		DAADMM
CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001401920627	924933656	/nfs/dbraw/zinc/93/36/56/924933656.db2.gz	HZIISOFVLYVCLY-JTQLQIEISA-N	-1	1	324.385	-1.286	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](O)(CNC(=O)c3cn[nH]c3)C2)nc1=O	ZINC001402258456	924956059	/nfs/dbraw/zinc/95/60/59/924956059.db2.gz	JNLBLWFZLWRIOS-CYBMUJFWSA-N	-1	1	321.341	-1.802	20	0		DAADMM
CC[C@@H](C(N)=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001402329621	924976574	/nfs/dbraw/zinc/97/65/74/924976574.db2.gz	CFBAFZKWSUIOLJ-VIFPVBQESA-N	-1	1	308.338	-1.172	20	0		DAADMM
Cn1ccc(C(=O)NCC2(O)CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001402385861	924993148	/nfs/dbraw/zinc/99/31/48/924993148.db2.gz	ORKUKLHOLDNTOF-UHFFFAOYSA-N	-1	1	321.341	-2.181	20	0		DAADMM
C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)NCc1n[nH]c(=O)[n-]1	ZINC001402922145	925039869	/nfs/dbraw/zinc/03/98/69/925039869.db2.gz	DTAAYDHCRGBFLP-HTQZYQBOSA-N	-1	1	317.371	-1.461	20	0		DAADMM
C[C@H](CNC(=O)CN1CCCC1=O)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001403094941	925052041	/nfs/dbraw/zinc/05/20/41/925052041.db2.gz	HQHPAEFHASTOIC-SNVBAGLBSA-N	-1	1	324.385	-1.333	20	0		DAADMM
C[C@@H](CNC(=O)CS(C)(=O)=O)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001403099073	925052128	/nfs/dbraw/zinc/05/21/28/925052128.db2.gz	GIEDNXVHDXDPMS-QMMMGPOBSA-N	-1	1	319.387	-1.911	20	0		DAADMM
C[C@H](C(=O)NC[C@H](C)N(C)Cc1nc(=O)n(C)[n-]1)n1cncn1	ZINC001403119284	925055548	/nfs/dbraw/zinc/05/55/48/925055548.db2.gz	CUKHVTCCEPBWES-VHSXEESVSA-N	-1	1	322.373	-1.102	20	0		DAADMM
Cc1nn[nH]c1C(=O)NC[C@H](C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001403163170	925057739	/nfs/dbraw/zinc/05/77/39/925057739.db2.gz	NTDFJAGKNAALCJ-ZETCQYMHSA-N	-1	1	308.346	-1.215	20	0		DAADMM
CCNC(=O)CCC(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001403516921	925080336	/nfs/dbraw/zinc/08/03/36/925080336.db2.gz	ZGLJUDHQXPLHRJ-UHFFFAOYSA-N	-1	1	312.374	-1.427	20	0		DAADMM
CN(CCNC(=O)[C@H]1CCNC(=O)C1)Cc1nc(=O)n(C)[n-]1	ZINC001403535718	925082962	/nfs/dbraw/zinc/08/29/62/925082962.db2.gz	MBZRPTLMVFOTOJ-VIFPVBQESA-N	-1	1	310.358	-1.817	20	0		DAADMM
CN(CCNC(=O)[C@@H]1CCNC(=O)C1)Cc1nc(=O)n(C)[n-]1	ZINC001403535677	925083960	/nfs/dbraw/zinc/08/39/60/925083960.db2.gz	MBZRPTLMVFOTOJ-SECBINFHSA-N	-1	1	310.358	-1.817	20	0		DAADMM
Cc1[nH]c(=O)[nH]c1C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001403595263	925089471	/nfs/dbraw/zinc/08/94/71/925089471.db2.gz	IRVKJQRCWHRUQI-UHFFFAOYSA-N	-1	1	309.330	-1.293	20	0		DAADMM
Cc1ncn(C)c1C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001403664959	925107208	/nfs/dbraw/zinc/10/72/08/925107208.db2.gz	JFHDJPGDRFZBDX-SECBINFHSA-N	-1	1	323.357	-1.969	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)[C@@H]2CC23CCC3)nc1=O	ZINC001403705908	925122905	/nfs/dbraw/zinc/12/29/05/925122905.db2.gz	UCUNPZAEOIUHJE-ZJUUUORDSA-N	-1	1	309.370	-1.135	20	0		DAADMM
CC(C)[C@H](F)C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001403715513	925125845	/nfs/dbraw/zinc/12/58/45/925125845.db2.gz	XJPVRKODCPZURW-WPRPVWTQSA-N	-1	1	303.338	-1.331	20	0		DAADMM
Cn1ccc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)n1	ZINC001403755382	925139121	/nfs/dbraw/zinc/13/91/21/925139121.db2.gz	UAAZQAZFTOLOEW-MRVPVSSYSA-N	-1	1	309.330	-2.278	20	0		DAADMM
Cn1ccc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)n1	ZINC001403755393	925139238	/nfs/dbraw/zinc/13/92/38/925139238.db2.gz	UAAZQAZFTOLOEW-QMMMGPOBSA-N	-1	1	309.330	-2.278	20	0		DAADMM
CCN(CCNC(=O)CNC(=O)OC)Cc1nc(=O)n(C)[n-]1	ZINC001403820156	925144739	/nfs/dbraw/zinc/14/47/39/925144739.db2.gz	KEEQNWVJFBTQKP-UHFFFAOYSA-N	-1	1	314.346	-1.598	20	0		DAADMM
Cc1nn(C)cc1C(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001403822907	925145227	/nfs/dbraw/zinc/14/52/27/925145227.db2.gz	HRFXNGYQZKNBAY-VIFPVBQESA-N	-1	1	323.357	-1.225	20	0		DAADMM
Cc1nn(C)cc1C(=O)N(C)C[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001403822898	925145989	/nfs/dbraw/zinc/14/59/89/925145989.db2.gz	HRFXNGYQZKNBAY-SECBINFHSA-N	-1	1	323.357	-1.225	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@H](O)CN(C)C(=O)c1cn[nH]c1	ZINC001403895011	925166097	/nfs/dbraw/zinc/16/60/97/925166097.db2.gz	WJEICXWIZFURHA-JTQLQIEISA-N	-1	1	323.357	-1.604	20	0		DAADMM
Cc1ccnn1CC(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001404893241	925223828	/nfs/dbraw/zinc/22/38/28/925223828.db2.gz	NMVHNVUMGODJSH-UHFFFAOYSA-N	-1	1	319.369	-1.138	20	0		DAADMM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCC1CN(CCO)C1	ZINC001404910263	925225719	/nfs/dbraw/zinc/22/57/19/925225719.db2.gz	LAVBEPSRYALCAW-UHFFFAOYSA-N	-1	1	306.326	-1.889	20	0		DAADMM
CC[C@@H](CNC(=O)c1cc(=O)n(C)cn1)NCc1n[nH]c(=O)[n-]1	ZINC001405264307	925273697	/nfs/dbraw/zinc/27/36/97/925273697.db2.gz	XZVVZRYTEWAJQF-QMMMGPOBSA-N	-1	1	321.341	-1.098	20	0		DAADMM
CNC(=O)NCC(=O)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001405595170	925320340	/nfs/dbraw/zinc/32/03/40/925320340.db2.gz	AITHGFXKBVINNJ-MRVPVSSYSA-N	-1	1	311.346	-1.480	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)C1CS(=O)(=O)C1	ZINC001405838657	925337289	/nfs/dbraw/zinc/33/72/89/925337289.db2.gz	ZSYDTJVGYKDFAM-SSDOTTSWSA-N	-1	1	317.371	-1.509	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)C1CS(=O)(=O)C1	ZINC001405838661	925337629	/nfs/dbraw/zinc/33/76/29/925337629.db2.gz	ZSYDTJVGYKDFAM-ZETCQYMHSA-N	-1	1	317.371	-1.509	20	0		DAADMM
CN(CCN(C)C(=O)CCn1cnnn1)Cc1nc(=O)n(C)[n-]1	ZINC001406149728	925348850	/nfs/dbraw/zinc/34/88/50/925348850.db2.gz	XALVSRHFFUTIEZ-UHFFFAOYSA-N	-1	1	323.361	-1.925	20	0		DAADMM
O=C(Cc1ccc(F)cn1)NC[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001406249625	925375973	/nfs/dbraw/zinc/37/59/73/925375973.db2.gz	USIPFIALRCMHSE-SNVBAGLBSA-N	-1	1	324.316	-1.146	20	0		DAADMM
CO[C@H](C(=O)NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C1CCC1	ZINC001406258201	925381846	/nfs/dbraw/zinc/38/18/46/925381846.db2.gz	YUTYBIYEDQAEPV-ONGXEEELSA-N	-1	1	313.358	-1.108	20	0		DAADMM
O=C(NC[C@H](O)CNCc1n[nH]c(=O)[n-]1)c1ncccc1F	ZINC001406290387	925396228	/nfs/dbraw/zinc/39/62/28/925396228.db2.gz	QMSOESLZBZTROL-SSDOTTSWSA-N	-1	1	310.289	-1.075	20	0		DAADMM
CCC(=O)NCC(=O)N[C@H](C)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001406579660	925422166	/nfs/dbraw/zinc/42/21/66/925422166.db2.gz	BHCNTYPRXZKJNL-SECBINFHSA-N	-1	1	312.374	-1.429	20	0		DAADMM
CCC(=O)NCC(=O)N[C@@H](C)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001406579661	925422976	/nfs/dbraw/zinc/42/29/76/925422976.db2.gz	BHCNTYPRXZKJNL-VIFPVBQESA-N	-1	1	312.374	-1.429	20	0		DAADMM
Cn1nncc1C(=O)N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001406744046	925429775	/nfs/dbraw/zinc/42/97/75/925429775.db2.gz	ABSZXESWQHERKX-QMMMGPOBSA-N	-1	1	306.330	-1.063	20	0		DAADMM
CCC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001406841015	925436772	/nfs/dbraw/zinc/43/67/72/925436772.db2.gz	VJHUUWLGVDLZGC-ZJUUUORDSA-N	-1	1	324.385	-1.286	20	0		DAADMM
CNC(=O)NC(=O)CN1CC(N(C)C(=O)c2ncccc2[O-])C1	ZINC001407065134	925450183	/nfs/dbraw/zinc/45/01/83/925450183.db2.gz	ZIFNTWSHUZVPRZ-UHFFFAOYSA-N	-1	1	321.337	-1.001	20	0		DAADMM
Cc1cc(C(=O)NCC2(O)CN(Cc3nc(=O)n(C)[n-]3)C2)on1	ZINC001407382690	925476622	/nfs/dbraw/zinc/47/66/22/925476622.db2.gz	MTWUEQQWQOFTNA-UHFFFAOYSA-N	-1	1	322.325	-1.618	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)[C@H]3CC34CCC4)C2)nc1=O	ZINC001407441093	925493962	/nfs/dbraw/zinc/49/39/62/925493962.db2.gz	YQRJEANBASIHFB-SNVBAGLBSA-N	-1	1	321.381	-1.039	20	0		DAADMM
CCS(=O)(=O)CC(=O)NCC[C@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001408251112	925559992	/nfs/dbraw/zinc/55/99/92/925559992.db2.gz	LQLRUMYMDYIWDL-QMMMGPOBSA-N	-1	1	319.387	-1.071	20	0		DAADMM
COCC(=O)NCC[C@@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001408437713	925570434	/nfs/dbraw/zinc/57/04/34/925570434.db2.gz	WIFHVRXMZVXKCH-MRVPVSSYSA-N	-1	1	322.325	-1.311	20	0		DAADMM
C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001409529657	925634758	/nfs/dbraw/zinc/63/47/58/925634758.db2.gz	WLNFHSAXDBDHML-DTWKUNHWSA-N	-1	1	310.358	-1.677	20	0		DAADMM
C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001409565003	925634923	/nfs/dbraw/zinc/63/49/23/925634923.db2.gz	DZULWVIGNZVWCL-VHSXEESVSA-N	-1	1	324.385	-1.477	20	0		DAADMM
C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)[C@H]1CCN(C)C1=O	ZINC001409603554	925638629	/nfs/dbraw/zinc/63/86/29/925638629.db2.gz	RLKICIIYKIXELJ-SFYZADRCSA-N	-1	1	324.341	-1.436	20	0		DAADMM
C[C@H](C(N)=O)N1CC(CCO)(NC(=O)c2ncccc2[O-])C1	ZINC001409714332	925647768	/nfs/dbraw/zinc/64/77/68/925647768.db2.gz	XZLNRKQBXSTXDG-SECBINFHSA-N	-1	1	308.338	-1.172	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)N[C@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001409848093	925653272	/nfs/dbraw/zinc/65/32/72/925653272.db2.gz	IREVAPQRGDDAGE-BDAKNGLRSA-N	-1	1	324.385	-1.431	20	0		DAADMM
Cc1ccc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)n1C	ZINC001410561751	925727103	/nfs/dbraw/zinc/72/71/03/925727103.db2.gz	DMEMRIUFCILEDI-JTQLQIEISA-N	-1	1	322.369	-1.364	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)c2cscn2)nc1=O	ZINC001410575620	925730610	/nfs/dbraw/zinc/73/06/10/925730610.db2.gz	GRVFHUIKDWGNRB-ZETCQYMHSA-N	-1	1	312.355	-1.555	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)c2cscn2)nc1=O	ZINC001410575614	925731485	/nfs/dbraw/zinc/73/14/85/925731485.db2.gz	GRVFHUIKDWGNRB-SSDOTTSWSA-N	-1	1	312.355	-1.555	20	0		DAADMM
Cc1occc1C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001410585930	925735159	/nfs/dbraw/zinc/73/51/59/925735159.db2.gz	ZPORSJFCLIHEEN-VIFPVBQESA-N	-1	1	309.326	-1.110	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)c2cc(F)c[nH]2)nc1=O	ZINC001410704756	925762000	/nfs/dbraw/zinc/76/20/00/925762000.db2.gz	QEXVLZCJFMWTJR-QMMMGPOBSA-N	-1	1	312.305	-1.544	20	0		DAADMM
CO[C@H](C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1)C(C)C	ZINC001410726976	925766857	/nfs/dbraw/zinc/76/68/57/925766857.db2.gz	IXMNVFUNXXDVOI-KOLCDFICSA-N	-1	1	315.374	-1.654	20	0		DAADMM
CO[C@H](C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1)C(C)C	ZINC001410726987	925766875	/nfs/dbraw/zinc/76/68/75/925766875.db2.gz	IXMNVFUNXXDVOI-ONGXEEELSA-N	-1	1	315.374	-1.654	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)C(C)(C)C(F)F)nc1=O	ZINC001410723683	925767622	/nfs/dbraw/zinc/76/76/22/925767622.db2.gz	HZSBMRMTRYURGA-SSDOTTSWSA-N	-1	1	321.328	-1.034	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)C[C@H]1CCCO1	ZINC001410996788	925801718	/nfs/dbraw/zinc/80/17/18/925801718.db2.gz	WJUDTFMOBAXIEN-NXEZZACHSA-N	-1	1	313.358	-1.012	20	0		DAADMM
COCCN(CCNC(=O)c1ccon1)Cc1nc(=O)n(C)[n-]1	ZINC001411215361	925833744	/nfs/dbraw/zinc/83/37/44/925833744.db2.gz	IUKQJYRZZGTLOS-UHFFFAOYSA-N	-1	1	324.341	-1.025	20	0		DAADMM
Cn1cc(N2C[C@@H](C(=O)NCc3nn[n-]n3)CCC2=O)cn1	ZINC001411751143	925855144	/nfs/dbraw/zinc/85/51/44/925855144.db2.gz	CDQHKKBLDNHZHA-QMMMGPOBSA-N	-1	1	304.314	-1.007	20	0		DAADMM
O=C(CN1CCC(CO)CC1)N1CCO[C@H](c2nnn[n-]2)C1	ZINC001411776379	925857951	/nfs/dbraw/zinc/85/79/51/925857951.db2.gz	LLWJBHXDDHGTKU-NSHDSACASA-N	-1	1	310.358	-1.196	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N1CC[C@H](CO)[C@H](O)C1	ZINC001412018149	925868074	/nfs/dbraw/zinc/86/80/74/925868074.db2.gz	VAAIENAUHFHJPI-MWLCHTKSSA-N	-1	1	309.322	-1.281	20	0		DAADMM
COCC(=O)N(C)CC(=O)N1CCSC[C@@H]1c1nn[n-]n1	ZINC001412039939	925868831	/nfs/dbraw/zinc/86/88/31/925868831.db2.gz	DNVXCXXDEWJRPB-MRVPVSSYSA-N	-1	1	314.371	-1.079	20	0		DAADMM
CN(CC(=O)N1CCC(O)(c2nn[n-]n2)CC1)C(=O)C1CC1	ZINC001412057835	925870230	/nfs/dbraw/zinc/87/02/30/925870230.db2.gz	PJUIKKSGSUILKJ-UHFFFAOYSA-N	-1	1	308.342	-1.122	20	0		DAADMM
COCCS(=O)(=O)CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC001412060989	925870552	/nfs/dbraw/zinc/87/05/52/925870552.db2.gz	XLZRPJYGVAMBLC-SECBINFHSA-N	-1	1	317.371	-1.033	20	0		DAADMM
C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)c1nn[n-]n1	ZINC001412378060	925890280	/nfs/dbraw/zinc/89/02/80/925890280.db2.gz	UOCFEMTVBSYSMS-ZCFIWIBFSA-N	-1	1	314.331	-1.737	20	0		DAADMM
O=C([C@@H]1CCCS1(=O)=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001412430763	925896510	/nfs/dbraw/zinc/89/65/10/925896510.db2.gz	JWFQVJASORTROL-YUMQZZPRSA-N	-1	1	301.328	-1.323	20	0		DAADMM
O=C(Cn1ccc(=O)[nH]c1=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001412434266	925898128	/nfs/dbraw/zinc/89/81/28/925898128.db2.gz	VIJIWBVKFKFBPP-ZETCQYMHSA-N	-1	1	307.270	-1.938	20	0		DAADMM
CN(C)S(=O)(=O)NCC(=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001412432017	925898300	/nfs/dbraw/zinc/89/83/00/925898300.db2.gz	LSAPVLXIWLORJF-ZETCQYMHSA-N	-1	1	319.347	-2.504	20	0		DAADMM
O=C(CCc1nn[n-]n1)NC[C@@]12COCCN1C(=O)COC2	ZINC001412458788	925900339	/nfs/dbraw/zinc/90/03/39/925900339.db2.gz	JEYITRAKCRXYOY-LBPRGKRZSA-N	-1	1	310.314	-2.124	20	0		DAADMM
CCS(=O)(=O)NCC(=O)N1CCC(c2nn[n-]n2)CC1	ZINC001412484790	925902450	/nfs/dbraw/zinc/90/24/50/925902450.db2.gz	FDUAXDUGUPPDEM-UHFFFAOYSA-N	-1	1	302.360	-1.155	20	0		DAADMM
O=C(CN1CCCS1(=O)=O)N1CC[C@@H](c2nn[n-]n2)C1	ZINC001412493431	925903530	/nfs/dbraw/zinc/90/35/30/925903530.db2.gz	VFYCZKMZXWUKIX-MRVPVSSYSA-N	-1	1	300.344	-1.449	20	0		DAADMM
O=C(C1=C2CCCN=C2NN1)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001412535951	925909876	/nfs/dbraw/zinc/90/98/76/925909876.db2.gz	VCYDDNLYEMPWGH-QMMMGPOBSA-N	-1	1	304.314	-1.346	20	0		DAADMM
COC(=O)CN(C)CCNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC	ZINC001412686978	925923505	/nfs/dbraw/zinc/92/35/05/925923505.db2.gz	LJAXKKQZQXSREW-UHFFFAOYSA-N	-1	1	314.298	-1.269	20	0		DAADMM
CCOC(=O)N1C[C@H](NC(=O)CCc2nn[n-]n2)[C@@H](CO)C1	ZINC001412777758	925942583	/nfs/dbraw/zinc/94/25/83/925942583.db2.gz	KKTWHDFEYSCZTP-BDAKNGLRSA-N	-1	1	312.330	-1.302	20	0		DAADMM
Cn1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(=O)n(C)c1=O	ZINC001412852434	925968111	/nfs/dbraw/zinc/96/81/11/925968111.db2.gz	JDOQVYXYQCSDHN-MRVPVSSYSA-N	-1	1	319.325	-1.383	20	0		DAADMM
CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCc1nn[n-]n1	ZINC001412888819	925975790	/nfs/dbraw/zinc/97/57/90/925975790.db2.gz	KSAHFKRGEXJVHL-HTQZYQBOSA-N	-1	1	312.330	-1.295	20	0		DAADMM
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CC(=O)NC	ZINC001413273001	926026803	/nfs/dbraw/zinc/02/68/03/926026803.db2.gz	FYRKDRVJTNJMFO-UHFFFAOYSA-N	-1	1	304.328	-1.081	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCNC(=O)CC2)[n-]n1	ZINC001413294338	926029898	/nfs/dbraw/zinc/02/98/98/926029898.db2.gz	YUMQQXDWDQMKMM-UHFFFAOYSA-N	-1	1	302.312	-1.293	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCNC(=O)CC2)n[n-]1	ZINC001413294338	926029908	/nfs/dbraw/zinc/02/99/08/926029908.db2.gz	YUMQQXDWDQMKMM-UHFFFAOYSA-N	-1	1	302.312	-1.293	20	0		DAADMM
CN(C)S(=O)(=O)CCS(=O)(=O)[N-]CC1(C)OCCO1	ZINC001413314601	926033397	/nfs/dbraw/zinc/03/33/97/926033397.db2.gz	CGDNMYWWZORESF-UHFFFAOYSA-N	-1	1	316.401	-1.440	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NC[C@]2(O)CCOC2)[n-]n1	ZINC001413317259	926033728	/nfs/dbraw/zinc/03/37/28/926033728.db2.gz	IGOCNFIKMMUFSY-SNVBAGLBSA-N	-1	1	305.312	-1.374	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NC[C@]2(O)CCOC2)n[n-]1	ZINC001413317259	926033738	/nfs/dbraw/zinc/03/37/38/926033738.db2.gz	IGOCNFIKMMUFSY-SNVBAGLBSA-N	-1	1	305.312	-1.374	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@H]2COCO2)c(=O)n(C)c1=O	ZINC001413366234	926044717	/nfs/dbraw/zinc/04/47/17/926044717.db2.gz	FCGLXTFXQBSQDE-SSDOTTSWSA-N	-1	1	305.312	-2.265	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)c(=O)[nH]c1=O	ZINC001413388448	926047890	/nfs/dbraw/zinc/04/78/90/926047890.db2.gz	IJBOLUVMBCSTAU-LLVKDONJSA-N	-1	1	319.339	-1.694	20	0		DAADMM
CS(=O)(=O)NCCC(=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001413386775	926048903	/nfs/dbraw/zinc/04/89/03/926048903.db2.gz	LSUCUQVQOIVYSW-ZETCQYMHSA-N	-1	1	304.332	-1.961	20	0		DAADMM
COCCS(=O)(=O)CC(=O)N1CC[C@@H](c2nn[n-]n2)C1	ZINC001413469414	926056448	/nfs/dbraw/zinc/05/64/48/926056448.db2.gz	OIPWVAPEFKXNQS-MRVPVSSYSA-N	-1	1	303.344	-1.423	20	0		DAADMM
COC(=O)[C@@H](CC1OCCO1)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC001413485201	926058283	/nfs/dbraw/zinc/05/82/83/926058283.db2.gz	QTLCWTXTCDAUKU-DTWKUNHWSA-N	-1	1	309.340	-1.001	20	0		DAADMM
CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1	ZINC001413558987	926063633	/nfs/dbraw/zinc/06/36/33/926063633.db2.gz	JUWCCZPNJMACJC-VIFPVBQESA-N	-1	1	316.387	-1.128	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@H](O)C(=O)OC)o1	ZINC001413818287	926077197	/nfs/dbraw/zinc/07/71/97/926077197.db2.gz	ZKRVNPLENFDWLS-ZETCQYMHSA-N	-1	1	320.323	-1.159	20	0		DAADMM
CS(=O)(=O)c1n[n-]c(NC(=O)C2(S(C)(=O)=O)CC2)n1	ZINC001413852170	926080338	/nfs/dbraw/zinc/08/03/38/926080338.db2.gz	QQELRCIOFGOZDR-UHFFFAOYSA-N	-1	1	308.341	-1.276	20	0		DAADMM
CS(=O)(=O)c1nnc(NC(=O)C2(S(C)(=O)=O)CC2)[n-]1	ZINC001413852170	926080345	/nfs/dbraw/zinc/08/03/45/926080345.db2.gz	QQELRCIOFGOZDR-UHFFFAOYSA-N	-1	1	308.341	-1.276	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCCN2CCOCC2)[n-]n1	ZINC001414202843	926111247	/nfs/dbraw/zinc/11/12/47/926111247.db2.gz	GZFIQLLISLZZDB-UHFFFAOYSA-N	-1	1	318.355	-1.193	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCCN2CCOCC2)n[n-]1	ZINC001414202843	926111255	/nfs/dbraw/zinc/11/12/55/926111255.db2.gz	GZFIQLLISLZZDB-UHFFFAOYSA-N	-1	1	318.355	-1.193	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC(=O)NC2CC2)c(=O)[nH]c1=O	ZINC001414201579	926111605	/nfs/dbraw/zinc/11/16/05/926111605.db2.gz	SBPJROZASYJLDW-UHFFFAOYSA-N	-1	1	302.312	-1.957	20	0		DAADMM
C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)NCCF	ZINC001414245232	926112241	/nfs/dbraw/zinc/11/22/41/926112241.db2.gz	BVSYXOJRWGTDRR-LURJTMIESA-N	-1	1	322.318	-1.762	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H](CO)CC(F)F)c(=O)[nH]c1=O	ZINC001414247630	926112554	/nfs/dbraw/zinc/11/25/54/926112554.db2.gz	OWQGWHVYWJIZPM-YFKPBYRVSA-N	-1	1	313.282	-1.220	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H]2C(=O)NCC[C@@H]2C)[n-]n1	ZINC001414247735	926113275	/nfs/dbraw/zinc/11/32/75/926113275.db2.gz	IGROKQTVGOOVNI-IMTBSYHQSA-N	-1	1	316.339	-1.001	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H]2C(=O)NCC[C@@H]2C)n[n-]1	ZINC001414247735	926113280	/nfs/dbraw/zinc/11/32/80/926113280.db2.gz	IGROKQTVGOOVNI-IMTBSYHQSA-N	-1	1	316.339	-1.001	20	0		DAADMM
CCN(C)C(=O)CNS(=O)(=O)c1cc(C(=O)OC)n[n-]1	ZINC001414254510	926114565	/nfs/dbraw/zinc/11/45/65/926114565.db2.gz	WKFNMUXNYDOMGA-UHFFFAOYSA-N	-1	1	304.328	-1.047	20	0		DAADMM
CCN(C)C(=O)CNS(=O)(=O)c1cc(C(=O)OC)[n-]n1	ZINC001414254510	926114570	/nfs/dbraw/zinc/11/45/70/926114570.db2.gz	WKFNMUXNYDOMGA-UHFFFAOYSA-N	-1	1	304.328	-1.047	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(C)[C@@]2(CO)CCOC2)[n-]n1	ZINC001414272196	926114912	/nfs/dbraw/zinc/11/49/12/926114912.db2.gz	UKSFRRBXJPZLSJ-LLVKDONJSA-N	-1	1	319.339	-1.032	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(C)[C@@]2(CO)CCOC2)n[n-]1	ZINC001414272196	926114918	/nfs/dbraw/zinc/11/49/18/926114918.db2.gz	UKSFRRBXJPZLSJ-LLVKDONJSA-N	-1	1	319.339	-1.032	20	0		DAADMM
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1C(=O)NCC1(C)C	ZINC001414309884	926117821	/nfs/dbraw/zinc/11/78/21/926117821.db2.gz	SLOOITICZIHUEC-LWESTGQBSA-N	-1	1	312.417	-1.080	20	0		DAADMM
Cc1cc(CS(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@H]2O)no1	ZINC001414320721	926118107	/nfs/dbraw/zinc/11/81/07/926118107.db2.gz	FQPSHOKUGXYFPH-RKDXNWHRSA-N	-1	1	310.353	-1.440	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC[C@H]2CNC(=O)C2)c(=O)[nH]c1=O	ZINC001414329133	926119699	/nfs/dbraw/zinc/11/96/99/926119699.db2.gz	GOLOTRQTSYVOPN-SSDOTTSWSA-N	-1	1	316.339	-1.710	20	0		DAADMM
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC(N)=O	ZINC001414734960	926144563	/nfs/dbraw/zinc/14/45/63/926144563.db2.gz	PYDHIUDTTVVIPS-UHFFFAOYSA-N	-1	1	323.353	-1.139	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)nc1=O	ZINC001415817491	926205347	/nfs/dbraw/zinc/20/53/47/926205347.db2.gz	LQDSHYWQLNDFIZ-NSHDSACASA-N	-1	1	324.385	-1.917	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)nc1=O	ZINC001415807965	926205929	/nfs/dbraw/zinc/20/59/29/926205929.db2.gz	JZEGJRVPJHWDST-UHFFFAOYSA-N	-1	1	319.325	-1.438	20	0		DAADMM
CC[C@@H](CNC(=O)COC)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001416169209	926232622	/nfs/dbraw/zinc/23/26/22/926232622.db2.gz	HESHYLICHZEUSS-QMMMGPOBSA-N	-1	1	322.325	-1.311	20	0		DAADMM
CN(CCN(C)C(=O)[C@H]1CNC(=O)N1)C(=O)c1ncccc1[O-]	ZINC001416659533	926243945	/nfs/dbraw/zinc/24/39/45/926243945.db2.gz	YOXKXNNRLIJCDJ-SECBINFHSA-N	-1	1	321.337	-1.001	20	0		DAADMM
CN(C(=O)c1c2c(nn1C)CCS(=O)(=O)C2)c1nn[n-]n1	ZINC001417566567	926318546	/nfs/dbraw/zinc/31/85/46/926318546.db2.gz	NBVDPLCZLICDGL-UHFFFAOYSA-N	-1	1	311.327	-1.319	20	0		DAADMM
O=C(c1cnn(CCO)c1)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001417725774	926332122	/nfs/dbraw/zinc/33/21/22/926332122.db2.gz	IVTOVYHMEAOXCM-UHFFFAOYSA-N	-1	1	307.314	-1.488	20	0		DAADMM
CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)Cc1ncn[nH]1	ZINC001417750127	926334665	/nfs/dbraw/zinc/33/46/65/926334665.db2.gz	UTZZOAHIVGFPOO-MRVPVSSYSA-N	-1	1	306.330	-1.096	20	0		DAADMM
CC[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001417946070	926354118	/nfs/dbraw/zinc/35/41/18/926354118.db2.gz	SDTODQRAOWBRCP-WDEREUQCSA-N	-1	1	324.385	-1.286	20	0		DAADMM
O=C(CNC(=O)C1CC1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001418036651	926358878	/nfs/dbraw/zinc/35/88/78/926358878.db2.gz	SDUNXUWXVXVYFA-VIFPVBQESA-N	-1	1	308.342	-1.273	20	0		DAADMM
C[C@@H](CCNC(=O)CCS(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001418404939	926388820	/nfs/dbraw/zinc/38/88/20/926388820.db2.gz	KTITUYUUXWWRHV-QMMMGPOBSA-N	-1	1	319.387	-1.071	20	0		DAADMM
CCOC(=O)c1nc([C@@H](C)NC(=O)CN2CCNC(=O)C2)n[n-]1	ZINC001418407683	926389322	/nfs/dbraw/zinc/38/93/22/926389322.db2.gz	XRZWDKPCMTYPJA-MRVPVSSYSA-N	-1	1	324.341	-1.410	20	0		DAADMM
CCOC(=O)c1nnc([C@@H](C)NC(=O)CN2CCNC(=O)C2)[n-]1	ZINC001418407683	926389333	/nfs/dbraw/zinc/38/93/33/926389333.db2.gz	XRZWDKPCMTYPJA-MRVPVSSYSA-N	-1	1	324.341	-1.410	20	0		DAADMM
CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CN2CCNC(=O)C2)n1	ZINC001418407683	926389342	/nfs/dbraw/zinc/38/93/42/926389342.db2.gz	XRZWDKPCMTYPJA-MRVPVSSYSA-N	-1	1	324.341	-1.410	20	0		DAADMM
CN(CCNC(=O)c1cn(C)ccc1=O)Cc1nc(=O)n(C)[n-]1	ZINC001418475472	926393017	/nfs/dbraw/zinc/39/30/17/926393017.db2.gz	OSUZPPIDBKUYMX-UHFFFAOYSA-N	-1	1	320.353	-1.331	20	0		DAADMM
CS(=O)(=O)CC(=O)NC[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001418668162	926414403	/nfs/dbraw/zinc/41/44/03/926414403.db2.gz	FNQJMQNVBHLKJF-ZKCHVHJHSA-N	-1	1	317.371	-1.461	20	0		DAADMM
C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001418863172	926428224	/nfs/dbraw/zinc/42/82/24/926428224.db2.gz	JOYKRBMDKKCFDJ-YUMQZZPRSA-N	-1	1	303.344	-1.220	20	0		DAADMM
O=C(NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1COC(=O)N1	ZINC001418888495	926428274	/nfs/dbraw/zinc/42/82/74/926428274.db2.gz	NEKRONJTYQQGQE-IUCAKERBSA-N	-1	1	324.341	-1.053	20	0		DAADMM
C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001418863164	926428724	/nfs/dbraw/zinc/42/87/24/926428724.db2.gz	JOYKRBMDKKCFDJ-JGVFFNPUSA-N	-1	1	303.344	-1.220	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)CN3CCOCC3)C2)nc1=O	ZINC001419018660	926444293	/nfs/dbraw/zinc/44/42/93/926444293.db2.gz	VKPWPASNZSDBQQ-UHFFFAOYSA-N	-1	1	324.385	-2.011	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@]3(F)CCOC3)C2)nc1=O	ZINC001419029378	926447569	/nfs/dbraw/zinc/44/75/69/926447569.db2.gz	FTRNSTKLNDQGOB-ZDUSSCGKSA-N	-1	1	313.333	-1.215	20	0		DAADMM
CCN(C(=O)CNC(C)=O)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001419116306	926458046	/nfs/dbraw/zinc/45/80/46/926458046.db2.gz	BUEBBFCCYQSCPN-NSHDSACASA-N	-1	1	324.385	-1.333	20	0		DAADMM
COC1(C(=O)NC2(c3nn[n-]n3)CCC2)CS(=O)(=O)C1	ZINC001419165527	926461650	/nfs/dbraw/zinc/46/16/50/926461650.db2.gz	VQSPYVDYOHQKEC-UHFFFAOYSA-N	-1	1	301.328	-1.491	20	0		DAADMM
O=C(NC[C@@H](NCc1n[nH]c(=O)[n-]1)C1CC1)[C@H]1COCCO1	ZINC001419233063	926468171	/nfs/dbraw/zinc/46/81/71/926468171.db2.gz	IZLIYASMTLENGX-NXEZZACHSA-N	-1	1	311.342	-1.090	20	0		DAADMM
C[C@H](C(=O)NC[C@@H](C)CNCc1n[nH]c(=O)[n-]1)S(C)(=O)=O	ZINC001419485904	926480004	/nfs/dbraw/zinc/48/00/04/926480004.db2.gz	UHYGBRCCONTDNA-JGVFFNPUSA-N	-1	1	319.387	-1.215	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)OC)[C@@H](C)O)co1	ZINC001419547333	926484824	/nfs/dbraw/zinc/48/48/24/926484824.db2.gz	LFRAPFBELUWZMR-MUWHJKNJSA-N	-1	1	320.323	-1.160	20	0		DAADMM
COC[C@@H](NC(=O)C[C@@H]1CCCS1(=O)=O)c1nn[n-]n1	ZINC001419555497	926484859	/nfs/dbraw/zinc/48/48/59/926484859.db2.gz	QYCRVLSAISWCSL-JGVFFNPUSA-N	-1	1	303.344	-1.029	20	0		DAADMM
C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)NCc1n[nH]c(=O)[n-]1	ZINC001419754052	926498364	/nfs/dbraw/zinc/49/83/64/926498364.db2.gz	GCXFASNNFNBEAP-QMMMGPOBSA-N	-1	1	310.358	-1.027	20	0		DAADMM
C[C@H](CNC(=O)CN1CCOCC1=O)NCc1n[nH]c(=O)[n-]1	ZINC001419777380	926500067	/nfs/dbraw/zinc/50/00/67/926500067.db2.gz	PNNSWTORFVJVIJ-MRVPVSSYSA-N	-1	1	312.330	-2.037	20	0		DAADMM
O=C(CC1CCOCC1)NC[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001420091962	926521563	/nfs/dbraw/zinc/52/15/63/926521563.db2.gz	BLKKWNSGRJZDFT-SNVBAGLBSA-N	-1	1	313.358	-1.106	20	0		DAADMM
O=C(NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1)[C@@]1(F)CCOC1	ZINC001420156726	926547718	/nfs/dbraw/zinc/54/77/18/926547718.db2.gz	PSGHWDYAWVUTRS-WRWORJQWSA-N	-1	1	303.294	-1.794	20	0		DAADMM
COc1cncc(C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)n1	ZINC001420314125	926580372	/nfs/dbraw/zinc/58/03/72/926580372.db2.gz	WOJMBIXABVQVFK-UHFFFAOYSA-N	-1	1	321.341	-1.231	20	0		DAADMM
CCN(CCNC(=O)Cn1cnnn1)Cc1nc(=O)n(C)[n-]1	ZINC001420366335	926584577	/nfs/dbraw/zinc/58/45/77/926584577.db2.gz	KHVOUMWMFHNWCQ-UHFFFAOYSA-N	-1	1	309.334	-2.267	20	0		DAADMM
CCN(CCNC(=O)[C@H]1COC(=O)N1)Cc1nc(=O)n(C)[n-]1	ZINC001420384899	926587066	/nfs/dbraw/zinc/58/70/66/926587066.db2.gz	STKQMLKBQADZHA-MRVPVSSYSA-N	-1	1	312.330	-1.845	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)Cn2cncn2)nc1=O	ZINC001420497290	926597543	/nfs/dbraw/zinc/59/75/43/926597543.db2.gz	WUGSZWQXLRNZLX-SNVBAGLBSA-N	-1	1	320.357	-1.519	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)Cn1cnnn1	ZINC001420533082	926599645	/nfs/dbraw/zinc/59/96/45/926599645.db2.gz	BOQAHFCKSQCLQR-MRVPVSSYSA-N	-1	1	309.334	-2.268	20	0		DAADMM
CNC(=O)NCC(=O)N[C@@H](C)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001420578319	926604153	/nfs/dbraw/zinc/60/41/53/926604153.db2.gz	CXDFCDQWMHRWDM-QMMMGPOBSA-N	-1	1	313.362	-2.026	20	0		DAADMM
CNC(=O)NCC(=O)N[C@H](C)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001420578288	926604527	/nfs/dbraw/zinc/60/45/27/926604527.db2.gz	CXDFCDQWMHRWDM-MRVPVSSYSA-N	-1	1	313.362	-2.026	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@]2(F)CCOC2)nc1=O	ZINC001420863226	926621641	/nfs/dbraw/zinc/62/16/41/926621641.db2.gz	OMEOELRWBSOXNS-ZANVPECISA-N	-1	1	313.333	-1.073	20	0		DAADMM
CNC(=O)[C@@H](O)CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C	ZINC001420922162	926627411	/nfs/dbraw/zinc/62/74/11/926627411.db2.gz	ZPGIEPCHCRWGIF-JTQLQIEISA-N	-1	1	321.337	-1.183	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001421068953	926641479	/nfs/dbraw/zinc/64/14/79/926641479.db2.gz	NZJITKYSWAXZGM-QMMMGPOBSA-N	-1	1	310.358	-1.738	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)CC3(O)CCC3)C2)nc1=O	ZINC001421125140	926646823	/nfs/dbraw/zinc/64/68/23/926646823.db2.gz	CISYMYQWXMZFEB-UHFFFAOYSA-N	-1	1	309.370	-1.039	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)N[C@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001421199247	926654777	/nfs/dbraw/zinc/65/47/77/926654777.db2.gz	SMHANPBNXHAJON-LKFCYVNXSA-N	-1	1	324.385	-1.286	20	0		DAADMM
CNC(=O)NCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001421228714	926656472	/nfs/dbraw/zinc/65/64/72/926656472.db2.gz	MQJGAAZAMUCRKI-QMMMGPOBSA-N	-1	1	311.346	-2.272	20	0		DAADMM
CCS(=O)(=O)CC(=O)NC[C@@H](C)CNCc1n[nH]c(=O)[n-]1	ZINC001421762520	926751998	/nfs/dbraw/zinc/75/19/98/926751998.db2.gz	CFSUEUJMVQMHCC-QMMMGPOBSA-N	-1	1	319.387	-1.213	20	0		DAADMM
O=C(CN1CCCC1)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001421807514	926760426	/nfs/dbraw/zinc/76/04/26/926760426.db2.gz	KNTIQFYDCIUWIN-LLVKDONJSA-N	-1	1	324.385	-1.077	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)C[C@H]1CCNC1=O	ZINC001421911534	926771371	/nfs/dbraw/zinc/77/13/71/926771371.db2.gz	VXPXDEABEFHBHQ-DTWKUNHWSA-N	-1	1	310.358	-1.027	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)C[C@@H]1CCNC1=O	ZINC001421911536	926772794	/nfs/dbraw/zinc/77/27/94/926772794.db2.gz	VXPXDEABEFHBHQ-IUCAKERBSA-N	-1	1	310.358	-1.027	20	0		DAADMM
CCS(=O)(=O)CC(=O)N(C)[C@H](C)CNCc1n[nH]c(=O)[n-]1	ZINC001421981503	926779150	/nfs/dbraw/zinc/77/91/50/926779150.db2.gz	JTAXHZIFTQOCJF-MRVPVSSYSA-N	-1	1	319.387	-1.119	20	0		DAADMM
COCC(C)(C)C(=O)NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001422336280	926837992	/nfs/dbraw/zinc/83/79/92/926837992.db2.gz	UVBWLHZUOVHBLD-QMMMGPOBSA-N	-1	1	301.347	-1.250	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001422483965	926878482	/nfs/dbraw/zinc/87/84/82/926878482.db2.gz	UBJZSGFCUWRHNR-BDAKNGLRSA-N	-1	1	312.374	-1.431	20	0		DAADMM
C[C@H](CNC(=O)c1cn(C)nn1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001422503110	926879686	/nfs/dbraw/zinc/87/96/86/926879686.db2.gz	LDIFBKYUEVTDGO-MRVPVSSYSA-N	-1	1	308.346	-1.513	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1CCc2nncn2C1	ZINC001422742985	926911288	/nfs/dbraw/zinc/91/12/88/926911288.db2.gz	NZGJLLYIIZKIAU-IUCAKERBSA-N	-1	1	320.357	-1.041	20	0		DAADMM
CSC[C@H](C)C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001423191785	926959767	/nfs/dbraw/zinc/95/97/67/926959767.db2.gz	QWDCTOORKYMHJV-DTWKUNHWSA-N	-1	1	317.415	-1.326	20	0		DAADMM
Cc1nn(C)cc1C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001423192823	926961571	/nfs/dbraw/zinc/96/15/71/926961571.db2.gz	SLZUBKZNEYGQLQ-SECBINFHSA-N	-1	1	323.357	-1.969	20	0		DAADMM
CNC(=O)NCC(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@H]1C	ZINC001423348139	927031229	/nfs/dbraw/zinc/03/12/29/927031229.db2.gz	VEBZBZGGCAWRIK-SFYZADRCSA-N	-1	1	311.346	-1.482	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1cncnc1	ZINC001423450289	927058162	/nfs/dbraw/zinc/05/81/62/927058162.db2.gz	VUIYPQXDFIZLQT-SECBINFHSA-N	-1	1	307.314	-1.477	20	0		DAADMM
CCOCC(=O)N(C)C[C@H](O)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001423507528	927081579	/nfs/dbraw/zinc/08/15/79/927081579.db2.gz	OOBSPSHHQNLQBJ-SNVBAGLBSA-N	-1	1	315.374	-1.604	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCCS(C)(=O)=O)[n-]n1	ZINC001423657901	927105120	/nfs/dbraw/zinc/10/51/20/927105120.db2.gz	TUVNZZVBNYQMAJ-UHFFFAOYSA-N	-1	1	311.341	-1.481	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCCS(C)(=O)=O)n[n-]1	ZINC001423657901	927105132	/nfs/dbraw/zinc/10/51/32/927105132.db2.gz	TUVNZZVBNYQMAJ-UHFFFAOYSA-N	-1	1	311.341	-1.481	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCN(C)C(=O)C2)[n-]n1	ZINC001423752017	927112339	/nfs/dbraw/zinc/11/23/39/927112339.db2.gz	ORXFTGZRGLCSOQ-UHFFFAOYSA-N	-1	1	302.312	-1.341	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCN(C)C(=O)C2)n[n-]1	ZINC001423752017	927112345	/nfs/dbraw/zinc/11/23/45/927112345.db2.gz	ORXFTGZRGLCSOQ-UHFFFAOYSA-N	-1	1	302.312	-1.341	20	0		DAADMM
O=C(CN1CCCC1)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001423800034	927133804	/nfs/dbraw/zinc/13/38/04/927133804.db2.gz	JIZPVQXPEBCLHY-AWEZNQCLSA-N	-1	1	324.385	-1.341	20	0		DAADMM
Cc1occc1C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001423803956	927134420	/nfs/dbraw/zinc/13/44/20/927134420.db2.gz	PEAXLCWZIIVSMT-UHFFFAOYSA-N	-1	1	321.337	-1.013	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)Cn3cccn3)C2)nc1=O	ZINC001423806719	927138991	/nfs/dbraw/zinc/13/89/91/927138991.db2.gz	OYZOHYMJAVJZNR-UHFFFAOYSA-N	-1	1	321.341	-2.332	20	0		DAADMM
Cn1nnnc1CN1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001423820792	927141144	/nfs/dbraw/zinc/14/11/44/927141144.db2.gz	LIQMPBRYZNSQDL-UHFFFAOYSA-N	-1	1	319.325	-1.713	20	0		DAADMM
CNC(=O)C(C)(C)C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001423859885	927156750	/nfs/dbraw/zinc/15/67/50/927156750.db2.gz	ZPJFDIPNOIRQKD-UHFFFAOYSA-N	-1	1	318.355	-1.464	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)c3cnco3)C2)nc1=O	ZINC001423867294	927159200	/nfs/dbraw/zinc/15/92/00/927159200.db2.gz	YPZJXQSTJMWXRI-UHFFFAOYSA-N	-1	1	308.298	-1.927	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@H]2CNC(=O)C2)c(=O)n(C)c1=O	ZINC001424235866	927211211	/nfs/dbraw/zinc/21/12/11/927211211.db2.gz	FBRDSTZDZKQXGW-SSDOTTSWSA-N	-1	1	316.339	-2.502	20	0		DAADMM
NC(=O)[C@@]1([N-]S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)CCOC1	ZINC001424304738	927220250	/nfs/dbraw/zinc/22/02/50/927220250.db2.gz	JAHNZVADMMYVMA-JOYOIKCWSA-N	-1	1	317.367	-1.687	20	0		DAADMM
COC(=O)N(C)CC[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001424386188	927228500	/nfs/dbraw/zinc/22/85/00/927228500.db2.gz	XMYVIRNTJXQUIZ-UHFFFAOYSA-N	-1	1	320.327	-1.538	20	0		DAADMM
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H](O)[C@H]1CCCO1	ZINC001424386082	927229635	/nfs/dbraw/zinc/22/96/35/927229635.db2.gz	WSKUVRNLZGSRGB-CXNNERTKSA-N	-1	1	315.417	-1.065	20	0		DAADMM
COC(=O)[C@@H]([N-]S(=O)(=O)N1CCC(OC)CC1)[C@@H](C)O	ZINC001424606381	927247403	/nfs/dbraw/zinc/24/74/03/927247403.db2.gz	MSAWCMGNNHRQRJ-SCZZXKLOSA-N	-1	1	310.372	-1.146	20	0		DAADMM
CS(=O)(=O)C[C@H](O)C[N-]S(=O)(=O)c1ccns1	ZINC001424794557	927257955	/nfs/dbraw/zinc/25/79/55/927257955.db2.gz	RMWBFWAFKABAOJ-ZCFIWIBFSA-N	-1	1	300.383	-1.173	20	0		DAADMM
C[C@@H](CNC(=O)Cn1cnnn1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001425015226	927272334	/nfs/dbraw/zinc/27/23/34/927272334.db2.gz	YLGWYBISWBKQNG-QMMMGPOBSA-N	-1	1	309.334	-2.268	20	0		DAADMM
C[C@H](CNC(=O)Cn1ccnc1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001425069775	927277458	/nfs/dbraw/zinc/27/74/58/927277458.db2.gz	FHMKFJUIDIQIOK-SNVBAGLBSA-N	-1	1	307.358	-1.058	20	0		DAADMM
Cn1[n-]c(CN2CC(CCO)(NC(=O)c3ccon3)C2)nc1=O	ZINC001425092368	927280191	/nfs/dbraw/zinc/28/01/91/927280191.db2.gz	OFQTXYWEVXKCEQ-UHFFFAOYSA-N	-1	1	322.325	-1.537	20	0		DAADMM
CCC(=O)NCC(=O)N[C@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001425239752	927293932	/nfs/dbraw/zinc/29/39/32/927293932.db2.gz	WJJAIYALGXXAEU-SECBINFHSA-N	-1	1	324.385	-1.429	20	0		DAADMM
C[C@@H](CN(C)C(=O)CN1CCOCC1)NCc1n[nH]c(=O)[n-]1	ZINC001425563508	927394563	/nfs/dbraw/zinc/39/45/63/927394563.db2.gz	JJAAEJQZJPSBSL-JTQLQIEISA-N	-1	1	312.374	-1.221	20	0		DAADMM
C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)NC1)NCc1n[nH]c(=O)[n-]1	ZINC001425596260	927397086	/nfs/dbraw/zinc/39/70/86/927397086.db2.gz	IFPXXOYSNSGJNR-IUCAKERBSA-N	-1	1	310.358	-1.027	20	0		DAADMM
C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)NC1)NCc1n[nH]c(=O)[n-]1	ZINC001425596265	927398261	/nfs/dbraw/zinc/39/82/61/927398261.db2.gz	IFPXXOYSNSGJNR-RKDXNWHRSA-N	-1	1	310.358	-1.027	20	0		DAADMM
C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)NC1)NCc1n[nH]c(=O)[n-]1	ZINC001425596256	927398427	/nfs/dbraw/zinc/39/84/27/927398427.db2.gz	IFPXXOYSNSGJNR-DTWKUNHWSA-N	-1	1	310.358	-1.027	20	0		DAADMM
Cc1c(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)cnn1C	ZINC001425699559	927403895	/nfs/dbraw/zinc/40/38/95/927403895.db2.gz	CIDBNZOIQMNQIL-SECBINFHSA-N	-1	1	323.357	-1.969	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)C[C@H]2CCOC2)nc1=O	ZINC001425731430	927411499	/nfs/dbraw/zinc/41/14/99/927411499.db2.gz	JKMLBWQYYSYZOR-NXEZZACHSA-N	-1	1	313.358	-1.898	20	0		DAADMM
Cc1n[nH]c(C(=O)NC[C@H](CO)N[C@H]2CCN(C)C2=O)c1[O-]	ZINC001425747360	927421789	/nfs/dbraw/zinc/42/17/89/927421789.db2.gz	WLBZCXBTIVZHMY-BDAKNGLRSA-N	-1	1	311.342	-1.665	20	0		DAADMM
CCn1[n-]nnc1=NC(=O)N1CCN(Cc2nnc[nH]2)CC1	ZINC001425754042	927425389	/nfs/dbraw/zinc/42/53/89/927425389.db2.gz	KWFNONVKLHSCTH-UHFFFAOYSA-N	-1	1	306.334	-1.417	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)c2ncccn2)nc1=O	ZINC001425825283	927466000	/nfs/dbraw/zinc/46/60/00/927466000.db2.gz	SQIIEZMIMKNDDV-MRVPVSSYSA-N	-1	1	307.314	-2.221	20	0		DAADMM
CC[C@@H](OC)C(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001425980311	927494459	/nfs/dbraw/zinc/49/44/59/927494459.db2.gz	JEHXLTBWPKRNAO-DTWKUNHWSA-N	-1	1	301.347	-1.156	20	0		DAADMM
CCn1ccc(C(=O)N(C)C[C@@H](O)CNCc2n[nH]c(=O)[n-]2)n1	ZINC001426033758	927511702	/nfs/dbraw/zinc/51/17/02/927511702.db2.gz	LZMRUITUGAJBPA-VIFPVBQESA-N	-1	1	323.357	-1.051	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@@H](O)CN(C)C(=O)C(F)F	ZINC001426065093	927522613	/nfs/dbraw/zinc/52/26/13/927522613.db2.gz	RBEZLTDWOXEPLR-SSDOTTSWSA-N	-1	1	307.301	-1.375	20	0		DAADMM
COCCN(CCO)CCNC(=O)c1c[n-]n2c1nccc2=O	ZINC001426174460	927535930	/nfs/dbraw/zinc/53/59/30/927535930.db2.gz	TYSTUHCIZNYRIL-UHFFFAOYSA-N	-1	1	323.353	-1.307	20	0		DAADMM
COCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001426387733	927541319	/nfs/dbraw/zinc/54/13/19/927541319.db2.gz	UNVJLJCSHKIWJI-JGVFFNPUSA-N	-1	1	322.325	-1.313	20	0		DAADMM
C[C@@H](NC(=O)Cn1ncn(C)c1=O)[C@@H](C)NC(=O)c1cnn[nH]1	ZINC001426511881	927546143	/nfs/dbraw/zinc/54/61/43/927546143.db2.gz	XIPGTDNMDQWPSM-HTQZYQBOSA-N	-1	1	322.329	-1.977	20	0		DAADMM
O=C(NC[C@@H](CO)NC(=O)C1=COCCO1)c1ncccc1[O-]	ZINC001427790907	927667783	/nfs/dbraw/zinc/66/77/83/927667783.db2.gz	NUGWLVLCFBNMFP-VIFPVBQESA-N	-1	1	323.305	-1.118	20	0		DAADMM
C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H]1CNC(=O)N1	ZINC001428596557	927787706	/nfs/dbraw/zinc/78/77/06/927787706.db2.gz	GDXYHCJRTSPIPU-JGVFFNPUSA-N	-1	1	307.310	-1.297	20	0		DAADMM
CC(=O)NCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC001428779907	927801233	/nfs/dbraw/zinc/80/12/33/927801233.db2.gz	JEOTXXWMIQAGIK-MWLCHTKSSA-N	-1	1	322.321	-1.775	20	0		DAADMM
CN(CCNC(=O)c1ncccc1[O-])C(=O)Cn1ncnn1	ZINC001431217994	928002819	/nfs/dbraw/zinc/00/28/19/928002819.db2.gz	MZADNQJEGSACKM-UHFFFAOYSA-N	-1	1	305.298	-1.338	20	0		DAADMM
C[C@H](CNC(=O)Cn1ncnn1)CNC(=O)c1ncccc1[O-]	ZINC001432960671	928172921	/nfs/dbraw/zinc/17/29/21/928172921.db2.gz	CYBZKVPUNJAHMG-SECBINFHSA-N	-1	1	319.325	-1.044	20	0		DAADMM
O=C(CCc1nn[n-]n1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC001433587987	928244069	/nfs/dbraw/zinc/24/40/69/928244069.db2.gz	DGJXFANDDVROFV-JTQLQIEISA-N	-1	1	308.342	-1.018	20	0		DAADMM
O=C(CCc1nn[n-]n1)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21	ZINC001434063339	928298320	/nfs/dbraw/zinc/29/83/20/928298320.db2.gz	HVCHXLPJGBTOGB-DTWKUNHWSA-N	-1	1	315.355	-1.453	20	0		DAADMM
O=C(CN1CCS(=O)(=O)CC1)NCc1nc([O-])cc(=O)[nH]1	ZINC001434233023	928318523	/nfs/dbraw/zinc/31/85/23/928318523.db2.gz	WJEQYXIWRPWXOO-UHFFFAOYSA-N	-1	1	316.339	-1.766	20	0		DAADMM
CS(=O)(=O)N1CC(C(=O)N2CCC(c3nn[n-]n3)CC2)C1	ZINC001434300600	928326866	/nfs/dbraw/zinc/32/68/66/928326866.db2.gz	LUDQNXQXYGGWCJ-UHFFFAOYSA-N	-1	1	314.371	-1.203	20	0		DAADMM
O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CC[C@H](c2nn[n-]n2)C1	ZINC001434314465	928330085	/nfs/dbraw/zinc/33/00/85/928330085.db2.gz	JHHRCABPUQXWFM-BQBZGAKWSA-N	-1	1	314.327	-2.571	20	0		DAADMM
COC[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1nn[n-]n1	ZINC001434365661	928340973	/nfs/dbraw/zinc/34/09/73/928340973.db2.gz	YXNFFMSRNMIRRO-YUMQZZPRSA-N	-1	1	303.344	-1.172	20	0		DAADMM
COC[C@@H](NC(=O)C1(OC)CS(=O)(=O)C1)c1nn[n-]n1	ZINC001434362682	928341215	/nfs/dbraw/zinc/34/12/15/928341215.db2.gz	HBEKLYATWXXLBS-ZCFIWIBFSA-N	-1	1	305.316	-2.183	20	0		DAADMM
Cn1c(=O)ccn(CC(=O)NC2(c3nn[n-]n3)CCC2)c1=O	ZINC001434361574	928341643	/nfs/dbraw/zinc/34/16/43/928341643.db2.gz	QFDKUGBGLNXCDE-UHFFFAOYSA-N	-1	1	305.298	-1.744	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCn3cnnc3C2)[n-]n1	ZINC001434550029	928362002	/nfs/dbraw/zinc/36/20/02/928362002.db2.gz	SELFMSAQATXNCE-UHFFFAOYSA-N	-1	1	312.311	-1.008	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCn3cnnc3C2)n[n-]1	ZINC001434550029	928362013	/nfs/dbraw/zinc/36/20/13/928362013.db2.gz	SELFMSAQATXNCE-UHFFFAOYSA-N	-1	1	312.311	-1.008	20	0		DAADMM
C[C@H](C[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)S(C)(=O)=O	ZINC001434556832	928364033	/nfs/dbraw/zinc/36/40/33/928364033.db2.gz	LJKDBTYAONNFPT-GJEGPGMTSA-N	-1	1	321.446	-1.172	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2C(=O)NCC2(C)C)c(=O)[nH]c1=O	ZINC001434582865	928370333	/nfs/dbraw/zinc/37/03/33/928370333.db2.gz	GAKCZCFZJHFFTK-SSDOTTSWSA-N	-1	1	316.339	-1.711	20	0		DAADMM
C[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC001434655050	928373957	/nfs/dbraw/zinc/37/39/57/928373957.db2.gz	PJPRIQFJXHSLJM-MRVPVSSYSA-N	-1	1	319.383	-1.231	20	0		DAADMM
CCC[C@@H](O)CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC001434645400	928374082	/nfs/dbraw/zinc/37/40/82/928374082.db2.gz	XGPFQHNBXZXCPK-SECBINFHSA-N	-1	1	319.383	-1.087	20	0		DAADMM
CNC(=O)[C@H](Cc1cnc[nH]1)[N-]S(=O)(=O)N=S(C)(C)=O	ZINC001434622141	928375048	/nfs/dbraw/zinc/37/50/48/928375048.db2.gz	NCZUQMPOZKQIDW-QMMMGPOBSA-N	-1	1	323.400	-1.371	20	0		DAADMM
CCC[C@H](O)CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC001434645405	928375298	/nfs/dbraw/zinc/37/52/98/928375298.db2.gz	XGPFQHNBXZXCPK-VIFPVBQESA-N	-1	1	319.383	-1.087	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)nc1=O	ZINC001434857598	928389072	/nfs/dbraw/zinc/38/90/72/928389072.db2.gz	CROXYKXJVVFHLU-SNVBAGLBSA-N	-1	1	322.369	-1.721	20	0		DAADMM
Cc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CSCC(=O)N3)nc2n1	ZINC001436570428	928403758	/nfs/dbraw/zinc/40/37/58/928403758.db2.gz	IOTHZKMHXNTDIU-LURJTMIESA-N	-1	1	308.323	-1.104	20	0		DAADMM
C[C@@H](CNC(=O)[C@H]1CCc2nncn2C1)NCc1n[nH]c(=O)[n-]1	ZINC001437260927	928440003	/nfs/dbraw/zinc/44/00/03/928440003.db2.gz	JOYXOCBONPUSPO-IUCAKERBSA-N	-1	1	320.357	-1.041	20	0		DAADMM
CN(CCNC(=O)c1ncccc1[O-])CCNS(C)(=O)=O	ZINC001437454986	928451496	/nfs/dbraw/zinc/45/14/96/928451496.db2.gz	ZCGVMRIOWJDUGW-UHFFFAOYSA-N	-1	1	316.383	-1.002	20	0		DAADMM
CCN(CCNC(=O)[C@@H]1CCC(=O)NC1)Cc1nc(=O)n(C)[n-]1	ZINC001437603520	928465552	/nfs/dbraw/zinc/46/55/52/928465552.db2.gz	PTUUVSZZPJFEFQ-SNVBAGLBSA-N	-1	1	324.385	-1.427	20	0		DAADMM
CCN(CCO)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC001437628307	928469153	/nfs/dbraw/zinc/46/91/53/928469153.db2.gz	FVTUYXGUSQGVPV-UHFFFAOYSA-N	-1	1	308.342	-1.498	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H]2CNC(=O)Cn2cnnn2)nc1=O	ZINC001437648884	928469179	/nfs/dbraw/zinc/46/91/79/928469179.db2.gz	GJZXJMDORGRTIX-VIFPVBQESA-N	-1	1	321.345	-2.124	20	0		DAADMM
CN(CCN(C)C(=O)CN1CCCC1=O)Cc1nc(=O)n(C)[n-]1	ZINC001438845471	928536657	/nfs/dbraw/zinc/53/66/57/928536657.db2.gz	IENZYJPJZZOJJJ-UHFFFAOYSA-N	-1	1	324.385	-1.379	20	0		DAADMM
O=C(NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1)[C@H]1C[C@@H]1C(F)F	ZINC001438988452	928558193	/nfs/dbraw/zinc/55/81/93/928558193.db2.gz	ZSXQSOHSSQLIRH-ACZMJKKPSA-N	-1	1	305.285	-1.022	20	0		DAADMM
COCC1(C(=O)NC[C@H](O)CNCc2n[nH]c(=O)[n-]2)CCC1	ZINC001439013535	928575466	/nfs/dbraw/zinc/57/54/66/928575466.db2.gz	LPLSKVWPISSDKI-SECBINFHSA-N	-1	1	313.358	-1.106	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@H](C)CS(C)(=O)=O	ZINC001439184396	928604411	/nfs/dbraw/zinc/60/44/11/928604411.db2.gz	KPLOWYDAWWVQCG-HTQZYQBOSA-N	-1	1	319.387	-1.215	20	0		DAADMM
CCn1nncc1C(=O)N[C@@H](C)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001439315880	928614662	/nfs/dbraw/zinc/61/46/62/928614662.db2.gz	BCGYNORLUGZRRU-VIFPVBQESA-N	-1	1	322.373	-1.030	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)CCCC(N)=O)nc1=O	ZINC001439589176	928631046	/nfs/dbraw/zinc/63/10/46/928631046.db2.gz	YZBLAXCLVKUJFY-VIFPVBQESA-N	-1	1	310.358	-1.546	20	0		DAADMM
Cc1cc(C(=O)NCC2(O)CN(Cc3nc(=O)n(C)[n-]3)C2)[nH]n1	ZINC001440038130	928676393	/nfs/dbraw/zinc/67/63/93/928676393.db2.gz	YAZLTSHRMNRDBJ-UHFFFAOYSA-N	-1	1	321.341	-1.883	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)c3ncc[nH]3)C2)nc1=O	ZINC001440042362	928678977	/nfs/dbraw/zinc/67/89/77/928678977.db2.gz	GNXDJHHAOKGIJF-UHFFFAOYSA-N	-1	1	307.314	-2.192	20	0		DAADMM
CC(C)[C@H](F)C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001440065864	928685865	/nfs/dbraw/zinc/68/58/65/928685865.db2.gz	ATCVZSLFIBAHJZ-JTQLQIEISA-N	-1	1	315.349	-1.235	20	0		DAADMM
C[C@@H](NC(=O)CS(C)(=O)=O)[C@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001440785074	928745864	/nfs/dbraw/zinc/74/58/64/928745864.db2.gz	XQJHUHBZDHJHHX-NKWVEPMBSA-N	-1	1	305.360	-1.462	20	0		DAADMM
C[C@@H](NC(=O)c1cc(=O)n(C)cn1)[C@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001440809727	928746813	/nfs/dbraw/zinc/74/68/13/928746813.db2.gz	SSMSWFJARYBMSE-JGVFFNPUSA-N	-1	1	321.341	-1.099	20	0		DAADMM
CCn1ncc(C(=O)NC[C@@H](C)N(C)Cc2nc(=O)n(C)[n-]2)n1	ZINC001440916025	928748023	/nfs/dbraw/zinc/74/80/23/928748023.db2.gz	SLLGKDLVJMYUSO-SECBINFHSA-N	-1	1	322.373	-1.030	20	0		DAADMM
CC(=O)NCC(=O)N(C)[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001441426734	928788620	/nfs/dbraw/zinc/78/86/20/928788620.db2.gz	POVCAVGSFSGFRS-SNVBAGLBSA-N	-1	1	310.358	-1.027	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)[C@@]2(F)CCOC2)nc1=O	ZINC001441737007	928845707	/nfs/dbraw/zinc/84/57/07/928845707.db2.gz	DZBVVQXOVBUEGK-PRHODGIISA-N	-1	1	317.321	-2.196	20	0		DAADMM
Cc1cnoc1C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001441769027	928857455	/nfs/dbraw/zinc/85/74/55/928857455.db2.gz	GXHKYCRLGSWZOW-MRVPVSSYSA-N	-1	1	310.314	-1.715	20	0		DAADMM
CCn1cccc1C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001441795499	928865322	/nfs/dbraw/zinc/86/53/22/928865322.db2.gz	ONZHNLQYDDPYHG-JTQLQIEISA-N	-1	1	322.369	-1.190	20	0		DAADMM
COCC(=O)N(C)CC(=O)NC[C@@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001441874124	928878824	/nfs/dbraw/zinc/87/88/24/928878824.db2.gz	QUEVEQLRUBFZDZ-MRVPVSSYSA-N	-1	1	314.346	-1.791	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1cn(C)cn1	ZINC001441968679	928891274	/nfs/dbraw/zinc/89/12/74/928891274.db2.gz	FRFUTUJYXBZHQV-MRVPVSSYSA-N	-1	1	309.330	-1.534	20	0		DAADMM
C[C@@H](CNC(=O)CCn1cnccc1=O)NCc1n[nH]c(=O)[n-]1	ZINC001441974951	928894852	/nfs/dbraw/zinc/89/48/52/928894852.db2.gz	CCGRYPFJLPCJTH-VIFPVBQESA-N	-1	1	321.341	-1.248	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1ccncn1	ZINC001442028732	928910147	/nfs/dbraw/zinc/91/01/47/928910147.db2.gz	XOEMJUSGNUCTSR-MRVPVSSYSA-N	-1	1	307.314	-1.477	20	0		DAADMM
CN(CCNC(=O)CN1CCOCC1)Cc1nc(=O)n(C)[n-]1	ZINC001442382270	928943299	/nfs/dbraw/zinc/94/32/99/928943299.db2.gz	WZPYNOYAOFOXJZ-UHFFFAOYSA-N	-1	1	312.374	-2.011	20	0		DAADMM
CN(CCNC(=O)CCS(C)(=O)=O)Cc1nc(=O)n(C)[n-]1	ZINC001442427381	928945283	/nfs/dbraw/zinc/94/52/83/928945283.db2.gz	HDOLBZBAVILMKP-UHFFFAOYSA-N	-1	1	319.387	-1.909	20	0		DAADMM
Cn1[n-]c(CN(CCNC(=O)[C@H]2CNC(=O)N2)C2CC2)nc1=O	ZINC001443029498	928987339	/nfs/dbraw/zinc/98/73/39/928987339.db2.gz	BXIQIMSYOGCUST-SECBINFHSA-N	-1	1	323.357	-2.130	20	0		DAADMM
Cn1cc(CCC(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001443554348	929013945	/nfs/dbraw/zinc/01/39/45/929013945.db2.gz	ISWAJDKKEJMNQC-UHFFFAOYSA-N	-1	1	320.357	-1.830	20	0		DAADMM
Cn1ccc(CC(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001443581282	929016136	/nfs/dbraw/zinc/01/61/36/929016136.db2.gz	PQRUQLVIAYGSAO-UHFFFAOYSA-N	-1	1	319.369	-1.367	20	0		DAADMM
CC[C@H](NC(C)=O)C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001443611001	929018939	/nfs/dbraw/zinc/01/89/39/929018939.db2.gz	FOEICSXOAKUBGS-NSHDSACASA-N	-1	1	324.385	-1.429	20	0		DAADMM
COC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[n-]1	ZINC001443661007	929020725	/nfs/dbraw/zinc/02/07/25/929020725.db2.gz	KPBJJUQEJDTZNM-IUCAKERBSA-N	-1	1	324.341	-1.751	20	0		DAADMM
CN1CCN(C)[C@@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001443895565	929034349	/nfs/dbraw/zinc/03/43/49/929034349.db2.gz	IVGSKVBZMMCKFT-JTQLQIEISA-N	-1	1	304.354	-1.002	20	0		DAADMM
O=C(NC[C@H](CO)NC(=O)c1ncccc1[O-])C1=COCCO1	ZINC001444059846	929045634	/nfs/dbraw/zinc/04/56/34/929045634.db2.gz	OURKJTNLODSCNV-SECBINFHSA-N	-1	1	323.305	-1.118	20	0		DAADMM
CCN1C(=O)CO[C@H](C(=O)Nc2nnn[n-]2)[C@H]1c1ccnn1C	ZINC001444620659	929134833	/nfs/dbraw/zinc/13/48/33/929134833.db2.gz	HPHVRCXMMZPJRR-ZJUUUORDSA-N	-1	1	320.313	-1.140	20	0		DAADMM
CCN1C(=O)CO[C@H](C(=O)Nc2nn[n-]n2)[C@H]1c1ccnn1C	ZINC001444620659	929134844	/nfs/dbraw/zinc/13/48/44/929134844.db2.gz	HPHVRCXMMZPJRR-ZJUUUORDSA-N	-1	1	320.313	-1.140	20	0		DAADMM
Cn1ncnc1CNC[C@@H](O)CNC(=O)c1ncccc1[O-]	ZINC001445144790	929168198	/nfs/dbraw/zinc/16/81/98/929168198.db2.gz	FKQZBUZZOFLVJH-SECBINFHSA-N	-1	1	306.326	-1.204	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)Cn1ccnc1	ZINC001445869588	929262397	/nfs/dbraw/zinc/26/23/97/929262397.db2.gz	QANMQVOWLLGJOW-SNVBAGLBSA-N	-1	1	307.358	-1.058	20	0		DAADMM
CN1C[C@H](C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)NC1=O	ZINC001445962780	929265598	/nfs/dbraw/zinc/26/55/98/929265598.db2.gz	ULWCIONZXWEYCB-DTWKUNHWSA-N	-1	1	323.357	-1.482	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)C[C@@H]2CCNC2=O)nc1=O	ZINC001446056278	929269130	/nfs/dbraw/zinc/26/91/30/929269130.db2.gz	PNJYYNDOXYEILH-VHSXEESVSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cc1nnc(CC(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)o1	ZINC001446038215	929269600	/nfs/dbraw/zinc/26/96/00/929269600.db2.gz	RFOXNRQXJQSANO-VIFPVBQESA-N	-1	1	321.341	-1.267	20	0		DAADMM
COC(=O)NCC(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001446042428	929269823	/nfs/dbraw/zinc/26/98/23/929269823.db2.gz	RAXCTPPECRAOFK-MRVPVSSYSA-N	-1	1	312.330	-1.845	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)CCn2ccnn2)nc1=O	ZINC001446052200	929270606	/nfs/dbraw/zinc/27/06/06/929270606.db2.gz	YJXMZIMHQDPBQE-SNVBAGLBSA-N	-1	1	320.357	-1.519	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](O)(CNC(=O)c3ccn[nH]3)C2)nc1=O	ZINC001446738942	929305383	/nfs/dbraw/zinc/30/53/83/929305383.db2.gz	QZUBFMLFNDYPDR-ZDUSSCGKSA-N	-1	1	321.341	-1.802	20	0		DAADMM
CO[C@H](C)CC(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001446840923	929335476	/nfs/dbraw/zinc/33/54/76/929335476.db2.gz	YYUJLSVMEZUSSE-SECBINFHSA-N	-1	1	313.358	-1.804	20	0		DAADMM
CN1CCCC[C@@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001446848267	929336110	/nfs/dbraw/zinc/33/61/10/929336110.db2.gz	CSVKTNQUQKLBKF-SNVBAGLBSA-N	-1	1	324.385	-1.343	20	0		DAADMM
CS(=O)(=O)CC(=O)NC1CC(CNCc2n[nH]c(=O)[n-]2)C1	ZINC001447775313	929412006	/nfs/dbraw/zinc/41/20/06/929412006.db2.gz	LILWLWUBULXSSE-UHFFFAOYSA-N	-1	1	317.371	-1.461	20	0		DAADMM
Cc1c(C(=O)NC[C@H](C)N(C)Cc2nc(=O)n(C)[n-]2)nnn1C	ZINC001448019574	929422582	/nfs/dbraw/zinc/42/25/82/929422582.db2.gz	LYJGIAAVYBLRFG-QMMMGPOBSA-N	-1	1	322.373	-1.204	20	0		DAADMM
Cc1c(C(=O)NC[C@@H](C)N(C)Cc2nc(=O)n(C)[n-]2)nnn1C	ZINC001448019573	929423416	/nfs/dbraw/zinc/42/34/16/929423416.db2.gz	LYJGIAAVYBLRFG-MRVPVSSYSA-N	-1	1	322.373	-1.204	20	0		DAADMM
C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001448031904	929425581	/nfs/dbraw/zinc/42/55/81/929425581.db2.gz	IDKJSJGIIYYBAI-UWVGGRQHSA-N	-1	1	324.385	-1.429	20	0		DAADMM
C[C@H](CNC(=O)C[C@H]1CCNC1=O)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001448031893	929425878	/nfs/dbraw/zinc/42/58/78/929425878.db2.gz	IDKJSJGIIYYBAI-NXEZZACHSA-N	-1	1	324.385	-1.429	20	0		DAADMM
Cn1[n-]c(CN2CC(CCO)(NC(=O)c3cocn3)C2)nc1=O	ZINC001448150242	929432764	/nfs/dbraw/zinc/43/27/64/929432764.db2.gz	KUXZFZGLFNIKSA-UHFFFAOYSA-N	-1	1	322.325	-1.537	20	0		DAADMM
C[C@@H](C(=O)N1CCC(O)(c2nn[n-]n2)CC1)N1C(=O)CCC1=O	ZINC001448340149	929449682	/nfs/dbraw/zinc/44/96/82/929449682.db2.gz	BELYQEVJZKTUMI-QMMMGPOBSA-N	-1	1	322.325	-1.453	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)C2C=CC=CC=C2)nc1=O	ZINC001448848931	929495407	/nfs/dbraw/zinc/49/54/07/929495407.db2.gz	PBGTWJSNTRDPTG-LBPRGKRZSA-N	-1	1	319.365	-1.027	20	0		DAADMM
Cc1cc(C)c(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)[nH]1	ZINC001448878693	929503698	/nfs/dbraw/zinc/50/36/98/929503698.db2.gz	MLHQVDPGIHOVSC-JTQLQIEISA-N	-1	1	322.369	-1.066	20	0		DAADMM
Cc1ncc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)n1C	ZINC001448891227	929510058	/nfs/dbraw/zinc/51/00/58/929510058.db2.gz	FSRWDCDIOVCHJS-VIFPVBQESA-N	-1	1	323.357	-1.969	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)Cc2cnoc2)nc1=O	ZINC001448901636	929511569	/nfs/dbraw/zinc/51/15/69/929511569.db2.gz	VAYLFDJAGUGEDF-SECBINFHSA-N	-1	1	310.314	-2.094	20	0		DAADMM
C[C@@H](C(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)n1cccn1	ZINC001449097720	929539475	/nfs/dbraw/zinc/53/94/75/929539475.db2.gz	VBZKQOYZVODZIT-UWVGGRQHSA-N	-1	1	323.357	-1.123	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1cnns1	ZINC001449096752	929540194	/nfs/dbraw/zinc/54/01/94/929540194.db2.gz	RTHCOEXUBSPNFW-LURJTMIESA-N	-1	1	313.343	-1.416	20	0		DAADMM
Cc1ccnn1CC(=O)N(C)C[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001449144437	929552808	/nfs/dbraw/zinc/55/28/08/929552808.db2.gz	GOPUZIQMMHZUHP-SNVBAGLBSA-N	-1	1	323.357	-1.376	20	0		DAADMM
COCCN1CCN(C(=O)[C@@]2(C(=O)[O-])CNCCO2)CC1	ZINC001521425325	929659983	/nfs/dbraw/zinc/65/99/83/929659983.db2.gz	YHNMDRSIWJJMNA-CYBMUJFWSA-N	-1	1	301.343	-1.780	20	0		DAADMM
CCOCCN1CCN(C(=O)[C@@]2(C(=O)[O-])CNCCO2)CC1	ZINC001521425183	929660302	/nfs/dbraw/zinc/66/03/02/929660302.db2.gz	UGJBOFJAYQKSQA-CQSZACIVSA-N	-1	1	315.370	-1.390	20	0		DAADMM
CCOC[C@H]1CN(C(=O)[C@]2(C(=O)[O-])CNCCO2)CCO1	ZINC001522198443	929668292	/nfs/dbraw/zinc/66/82/92/929668292.db2.gz	YFCPUZWLUWTMLL-MFKMUULPSA-N	-1	1	302.327	-1.307	20	0		DAADMM
COC[C@@H](C)C(=O)NCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001522549546	929678865	/nfs/dbraw/zinc/67/88/65/929678865.db2.gz	ABYRUKPTWLVLDQ-MRVPVSSYSA-N	-1	1	322.325	-1.454	20	0		DAADMM
NC(=O)C(=O)NCCN1CCN(C(=O)c2ncccc2[O-])CC1	ZINC001524094159	929735087	/nfs/dbraw/zinc/73/50/87/929735087.db2.gz	HMBDVXHBPLQLMW-UHFFFAOYSA-N	-1	1	321.337	-1.854	20	0		DAADMM
CS(=O)(=O)CCOCCNC(=O)CCCc1nn[n-]n1	ZINC001543886418	930025447	/nfs/dbraw/zinc/02/54/47/930025447.db2.gz	ZDGDUEAPUICOQS-UHFFFAOYSA-N	-1	1	305.360	-1.300	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCc1nnc2n1CCOC2	ZINC001556449855	930078162	/nfs/dbraw/zinc/07/81/62/930078162.db2.gz	WNZNGHWMXVRYFM-UHFFFAOYSA-N	-1	1	320.309	-1.635	20	0		DAADMM
Cn1cnc(CCCNC(=O)CCn2cc[n-]c(=O)c2=O)n1	ZINC001557189821	930083057	/nfs/dbraw/zinc/08/30/57/930083057.db2.gz	PZFFJKWOTIXTFG-UHFFFAOYSA-N	-1	1	306.326	-1.196	20	0		DAADMM
Cn1cc(O)c(=O)cc1CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001557254136	930084271	/nfs/dbraw/zinc/08/42/71/930084271.db2.gz	QNNWCVHEHNBIIZ-UHFFFAOYSA-N	-1	1	320.305	-1.353	20	0		DAADMM
COCCNC(=O)CNS(=O)(=O)c1cc(C(=O)OC)n[n-]1	ZINC001561065664	930092088	/nfs/dbraw/zinc/09/20/88/930092088.db2.gz	PXSJSAZOSHYVFW-UHFFFAOYSA-N	-1	1	320.327	-1.763	20	0		DAADMM
COCCNC(=O)CNS(=O)(=O)c1cc(C(=O)OC)[n-]n1	ZINC001561065664	930092100	/nfs/dbraw/zinc/09/21/00/930092100.db2.gz	PXSJSAZOSHYVFW-UHFFFAOYSA-N	-1	1	320.327	-1.763	20	0		DAADMM
CC(=O)NCC(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1	ZINC001573515478	946546146	/nfs/dbraw/zinc/54/61/46/946546146.db2.gz	MXRJJINSUAXJLI-SSDOTTSWSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1	ZINC001573515478	946546152	/nfs/dbraw/zinc/54/61/52/946546152.db2.gz	MXRJJINSUAXJLI-SSDOTTSWSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)NCCCNc1nccnc1-c1nnn[n-]1	ZINC001573521167	946604633	/nfs/dbraw/zinc/60/46/33/946604633.db2.gz	SWROERIPVILMMA-UHFFFAOYSA-N	-1	1	319.329	-1.289	20	0		DAADMM
CC(=O)NCC(=O)NCCCNc1nccnc1-c1nn[n-]n1	ZINC001573521167	946604642	/nfs/dbraw/zinc/60/46/42/946604642.db2.gz	SWROERIPVILMMA-UHFFFAOYSA-N	-1	1	319.329	-1.289	20	0		DAADMM
CC(=O)NCCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001573530176	946687736	/nfs/dbraw/zinc/68/77/36/946687736.db2.gz	VOUWCFGUHPTKLW-UHFFFAOYSA-N	-1	1	322.285	-2.619	20	0		DAADMM
C[C@@H](C(=O)N1CC2(C1)CNC(=O)O2)n1cnc(-c2nn[n-]n2)n1	ZINC001573613697	947569822	/nfs/dbraw/zinc/56/98/22/947569822.db2.gz	GTYXMZDCNGFONT-LURJTMIESA-N	-1	1	319.285	-1.660	20	0		DAADMM
CC(=O)C1(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1	ZINC001573363176	947708624	/nfs/dbraw/zinc/70/86/24/947708624.db2.gz	BJTUEFNJOPEYED-UHFFFAOYSA-N	-1	1	319.281	-1.633	20	0		DAADMM
CC(=O)C[C@H](C)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001573365240	947729517	/nfs/dbraw/zinc/72/95/17/947729517.db2.gz	LTKZGLOJBLFXQW-LURJTMIESA-N	-1	1	321.297	-1.387	20	0		DAADMM
C[C@@H](C(=O)N1CCn2ncnc2C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573647102	947884355	/nfs/dbraw/zinc/88/43/55/947884355.db2.gz	CCMRCIXHSRQMJQ-ZETCQYMHSA-N	-1	1	315.301	-1.347	20	0		DAADMM
C[C@@H](C(=O)N1CCc2n[nH]nc2C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573647316	947890047	/nfs/dbraw/zinc/89/00/47/947890047.db2.gz	HTXBAFIBRLWCBC-LURJTMIESA-N	-1	1	315.301	-1.278	20	0		DAADMM
C[C@@H](C(=O)N1CCn2cnnc2C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573647980	947904058	/nfs/dbraw/zinc/90/40/58/947904058.db2.gz	WDYMQWZEKZKYSR-ZETCQYMHSA-N	-1	1	315.301	-1.347	20	0		DAADMM
C[C@H](C(=O)N1C[C@@H](CO)[C@H](CO)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573647850	947904103	/nfs/dbraw/zinc/90/41/03/947904103.db2.gz	UOGCMYDOLBUNTA-VGMNWLOBSA-N	-1	1	322.329	-1.922	20	0		DAADMM
C[C@@H](C(=O)NC(C)(C)CNC(N)=O)n1cnc(-c2nn[n-]n2)n1	ZINC001573652672	947943680	/nfs/dbraw/zinc/94/36/80/947943680.db2.gz	GGAUAOJRYDALJW-LURJTMIESA-N	-1	1	322.333	-1.418	20	0		DAADMM
C[C@H](C(=O)N[C@@]1(C)CCNC1=O)n1cnc(-c2nn[n-]n2)n1	ZINC001573656890	947994885	/nfs/dbraw/zinc/99/48/85/947994885.db2.gz	JNJZLIIWAJEKNR-KBUNVGBDSA-N	-1	1	305.302	-1.586	20	0		DAADMM
C[C@@H](C(=O)NC1CC(CC(N)=O)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573664954	948063938	/nfs/dbraw/zinc/06/39/38/948063938.db2.gz	ZEMLTSWJLZCOPA-KKMMWDRVSA-N	-1	1	319.329	-1.211	20	0		DAADMM
CC(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1	ZINC001573409187	948072324	/nfs/dbraw/zinc/07/23/24/948072324.db2.gz	QHHWZVVWEJEYOL-SECBINFHSA-N	-1	1	306.330	-1.068	20	0		DAADMM
CC(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1	ZINC001573409187	948072333	/nfs/dbraw/zinc/07/23/33/948072333.db2.gz	QHHWZVVWEJEYOL-SECBINFHSA-N	-1	1	306.330	-1.068	20	0		DAADMM
C[C@H](C(=O)N[C@H]1CCN(C(N)=O)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573674626	948119535	/nfs/dbraw/zinc/11/95/35/948119535.db2.gz	OOWGSPDCPGUFMQ-RQJHMYQMSA-N	-1	1	320.317	-1.712	20	0		DAADMM
C[C@H](C(=O)N[C@@H]1CC[C@@H](O)[C@@H](O)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573676126	948124181	/nfs/dbraw/zinc/12/41/81/948124181.db2.gz	RSWMFOZIATYAHP-BGZDPUMWSA-N	-1	1	322.329	-1.590	20	0		DAADMM
C[C@H](C(=O)N[C@H]1CC[C@@H](O)[C@@H](O)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573676133	948125056	/nfs/dbraw/zinc/12/50/56/948125056.db2.gz	RSWMFOZIATYAHP-XAVMHZPKSA-N	-1	1	322.329	-1.590	20	0		DAADMM
C[C@@H](C(=O)NC[C@]1(C)CCC(=O)N1)n1cnc(-c2nn[n-]n2)n1	ZINC001573691769	948246493	/nfs/dbraw/zinc/24/64/93/948246493.db2.gz	JQZVUFGYXBGKMH-MADCSZMMSA-N	-1	1	319.329	-1.196	20	0		DAADMM
CC(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573443445	948306046	/nfs/dbraw/zinc/30/60/46/948306046.db2.gz	NVLKFFYLGJDCGE-CYBMUJFWSA-N	-1	1	318.341	-1.136	20	0		DAADMM
CC(=O)NCCN(CCS(=O)(=O)N(C)C)[C@H](C)C(=O)[O-]	ZINC001602758371	971476267	/nfs/dbraw/zinc/47/62/67/971476267.db2.gz	FXVQHDZGBKTWRD-SECBINFHSA-N	-1	1	309.388	-1.211	20	0		DAADMM
C[C@H](C(=O)NCCc1nncn1C)n1cnc(-c2nn[n-]n2)n1	ZINC001573716028	948497460	/nfs/dbraw/zinc/49/74/60/948497460.db2.gz	CJHBEZUCPSJFGG-SSDOTTSWSA-N	-1	1	317.317	-1.493	20	0		DAADMM
C[C@H](C(=O)NCCN1CCNC1=O)n1cnc(-c2nn[n-]n2)n1	ZINC001573720907	948535869	/nfs/dbraw/zinc/53/58/69/948535869.db2.gz	STIYSSXEHBUCAB-SSDOTTSWSA-N	-1	1	320.317	-1.839	20	0		DAADMM
O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001570919126	948583898	/nfs/dbraw/zinc/58/38/98/948583898.db2.gz	ZFKBRRZNLWNFTM-MRVPVSSYSA-N	-1	1	316.285	-1.078	20	0		DAADMM
CC[S@@](=O)CCNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1	ZINC001570919885	948593310	/nfs/dbraw/zinc/59/33/10/948593310.db2.gz	DDHZPFIUXYFRSF-OAQYLSRUSA-N	-1	1	313.343	-1.154	20	0		DAADMM
O=C1NCCn2c(CNc3nccnc3-c3nnn[n-]3)nnc21	ZINC001570920558	948600877	/nfs/dbraw/zinc/60/08/77/948600877.db2.gz	SWRWSSXUXPJEPJ-UHFFFAOYSA-N	-1	1	313.285	-1.396	20	0		DAADMM
O=C1NCCn2c(CNc3nccnc3-c3nn[n-]n3)nnc21	ZINC001570920558	948600883	/nfs/dbraw/zinc/60/08/83/948600883.db2.gz	SWRWSSXUXPJEPJ-UHFFFAOYSA-N	-1	1	313.285	-1.396	20	0		DAADMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC[C@@]2(CNC(=O)C2)C1	ZINC001570920881	948608527	/nfs/dbraw/zinc/60/85/27/948608527.db2.gz	FTHYKBGTNJVWNS-GFCCVEGCSA-N	-1	1	317.313	-1.803	20	0		DAADMM
Cc1c[nH]c(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)n1	ZINC001570920953	948610509	/nfs/dbraw/zinc/61/05/09/948610509.db2.gz	IDNZBBXCQHPIQF-UHFFFAOYSA-N	-1	1	317.313	-1.092	20	0		DAADMM
Cc1cc(-c2nnn[n-]2)nc(N2CCN(CC(N)=O)C(=O)C2)n1	ZINC001570921024	948612054	/nfs/dbraw/zinc/61/20/54/948612054.db2.gz	KXIKGRPFXDMLPR-UHFFFAOYSA-N	-1	1	317.313	-1.901	20	0		DAADMM
Cc1cc(-c2nn[n-]n2)nc(N2CCN(CC(N)=O)C(=O)C2)n1	ZINC001570921024	948612058	/nfs/dbraw/zinc/61/20/58/948612058.db2.gz	KXIKGRPFXDMLPR-UHFFFAOYSA-N	-1	1	317.313	-1.901	20	0		DAADMM
C[C@@H](C(=O)NCC[C@H]1CNC(=O)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001570921732	948626350	/nfs/dbraw/zinc/62/63/50/948626350.db2.gz	MUPKMBYQIMWEGW-JGVFFNPUSA-N	-1	1	319.329	-1.338	20	0		DAADMM
O=C(NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1cnco1	ZINC001570921784	948628048	/nfs/dbraw/zinc/62/80/48/948628048.db2.gz	OPLUVFMAJKTWQS-UHFFFAOYSA-N	-1	1	318.253	-1.453	20	0		DAADMM
COC(=O)[C@@H]1CCCN1c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1	ZINC001570921969	948632030	/nfs/dbraw/zinc/63/20/30/948632030.db2.gz	DFWFGHRHGPQCSC-LURJTMIESA-N	-1	1	321.297	-1.605	20	0		DAADMM
O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NC1(CCO)CC1	ZINC001570922182	948637017	/nfs/dbraw/zinc/63/70/17/948637017.db2.gz	GAAVLNQVRWKZTM-UHFFFAOYSA-N	-1	1	321.297	-1.840	20	0		DAADMM
COC[C@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)C(N)=O	ZINC001570922429	948642362	/nfs/dbraw/zinc/64/23/62/948642362.db2.gz	IRBUTBOUENDURN-ZETCQYMHSA-N	-1	1	321.297	-1.494	20	0		DAADMM
C[C@@H]1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[S@]1=O	ZINC001570922688	948645212	/nfs/dbraw/zinc/64/52/12/948645212.db2.gz	LXMWMRJCFRVEJB-CWMRNNLJSA-N	-1	1	324.370	-1.172	20	0		DAADMM
CC[C@H]1[C@H](CO)CCN1c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1	ZINC001570923373	948659673	/nfs/dbraw/zinc/65/96/73/948659673.db2.gz	YNXPLFILJHHZOT-YUMQZZPRSA-N	-1	1	321.341	-1.149	20	0		DAADMM
C[C@@H](C(=O)Nn1ccc(=O)[nH]c1=O)n1cnc(-c2nn[n-]n2)n1	ZINC001573755442	948766477	/nfs/dbraw/zinc/76/64/77/948766477.db2.gz	PLKQLQUSCLJPAN-YFKPBYRVSA-N	-1	1	318.257	-1.948	20	0		DAADMM
C[C@H](C(=O)Nc1ccn(C)c(=O)n1)n1cnc(-c2nn[n-]n2)n1	ZINC001573756123	948798696	/nfs/dbraw/zinc/79/86/96/948798696.db2.gz	XLYXIYNEABGEPC-ZCFIWIBFSA-N	-1	1	316.285	-1.414	20	0		DAADMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)N1C[C@H](CO)[C@H](CCO)C1	ZINC001570930126	948802514	/nfs/dbraw/zinc/80/25/14/948802514.db2.gz	DIOPDDFGFKCDAA-RKDXNWHRSA-N	-1	1	322.329	-2.093	20	0		DAADMM
C[C@@H](CCO)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001570930209	948808708	/nfs/dbraw/zinc/80/87/08/948808708.db2.gz	GBUMYBYSQUEYBH-ZETCQYMHSA-N	-1	1	323.313	-1.594	20	0		DAADMM
CO[C@@H]1CCOC[C@H]1NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1	ZINC001570932724	948865048	/nfs/dbraw/zinc/86/50/48/948865048.db2.gz	WWZSRGWTJLIADX-IWSPIJDZSA-N	-1	1	322.329	-1.061	20	0		DAADMM
C[C@H](CCO)N(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001574695032	949101765	/nfs/dbraw/zinc/10/17/65/949101765.db2.gz	YRWXURLRGKVDNF-SSDOTTSWSA-N	-1	1	323.313	-1.642	20	0		DAADMM
C[C@@]1(O)CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1	ZINC001575856732	949257026	/nfs/dbraw/zinc/25/70/26/949257026.db2.gz	JPBLWCRAAWEWES-GFCCVEGCSA-N	-1	1	321.297	-1.888	20	0		DAADMM
Cc1[nH][nH]c(=O)c1CCNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC001575866503	949410615	/nfs/dbraw/zinc/41/06/15/949410615.db2.gz	UGENHYNRXLFCPT-ZETCQYMHSA-N	-1	1	318.301	-1.914	20	0		DAADMM
C[C@@H]1[C@H](CO)CCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC001575868119	949452799	/nfs/dbraw/zinc/45/27/99/949452799.db2.gz	MGBPEYPFDQCPQH-SFYZADRCSA-N	-1	1	321.341	-1.529	20	0		DAADMM
CC1(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CC1	ZINC001575575509	950056173	/nfs/dbraw/zinc/05/61/73/950056173.db2.gz	KCGUABKULXTSGK-MRVPVSSYSA-N	-1	1	318.341	-1.232	20	0		DAADMM
CC1(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CC1	ZINC001575575511	950056248	/nfs/dbraw/zinc/05/62/48/950056248.db2.gz	KCGUABKULXTSGK-QMMMGPOBSA-N	-1	1	318.341	-1.232	20	0		DAADMM
C[C@H]1CCN(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)C[C@@H]1O	ZINC001576190633	950167160	/nfs/dbraw/zinc/16/71/60/950167160.db2.gz	BZYMBSJUYNIIBE-IUCAKERBSA-N	-1	1	321.345	-1.130	20	0		DAADMM
C[C@@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@H]1O	ZINC001576213780	950646631	/nfs/dbraw/zinc/64/66/31/950646631.db2.gz	IEHZFELCQOMOPZ-HTQZYQBOSA-N	-1	1	321.341	-1.529	20	0		DAADMM
C[C@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@@H]1O	ZINC001576213783	950646939	/nfs/dbraw/zinc/64/69/39/950646939.db2.gz	IEHZFELCQOMOPZ-YUMQZZPRSA-N	-1	1	321.341	-1.529	20	0		DAADMM
O=C([O-])CN1CCC[C@@H](C(=O)NC[C@H](O)c2cnc[nH]2)C1=O	ZINC001595085705	951724253	/nfs/dbraw/zinc/72/42/53/951724253.db2.gz	VVULXPHHBFGMNJ-WPRPVWTQSA-N	-1	1	310.310	-1.118	20	0		DAADMM
O=C([O-])CN1CCC[C@@H](C(=O)NC[C@@H](O)c2cnc[nH]2)C1=O	ZINC001595085704	951724315	/nfs/dbraw/zinc/72/43/15/951724315.db2.gz	VVULXPHHBFGMNJ-WCBMZHEXSA-N	-1	1	310.310	-1.118	20	0		DAADMM
O=C([O-])CN1CCC[C@H](C(=O)N2CC[C@@H](c3nn[nH]n3)C2)C1=O	ZINC001595086636	951736493	/nfs/dbraw/zinc/73/64/93/951736493.db2.gz	MCGPDYJHLMXOEF-BDAKNGLRSA-N	-1	1	322.325	-1.161	20	0		DAADMM
O=C([O-])COCC(=O)N[C@H]1CCN(CCN2CCOCC2)C1	ZINC001595108249	951898969	/nfs/dbraw/zinc/89/89/69/951898969.db2.gz	OKMJDLOZRLCJTL-LBPRGKRZSA-N	-1	1	315.370	-1.390	20	0		DAADMM
C[C@H](C[S@](C)=O)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1	ZINC001575185730	952435232	/nfs/dbraw/zinc/43/52/32/952435232.db2.gz	VGCUCLSSDBWUTF-KCTPQZCJSA-N	-1	1	313.343	-1.155	20	0		DAADMM
CN(C(=O)C(=O)NCCOCC(=O)[O-])[C@H]1CCN(C2CC2)C1	ZINC001593674459	953903613	/nfs/dbraw/zinc/90/36/13/953903613.db2.gz	QQFUDJKWSCXXCD-NSHDSACASA-N	-1	1	313.354	-1.101	20	0		DAADMM
CN(C)CCN(CC(=O)[O-])S(=O)(=O)C[C@H]1CN(C)CCO1	ZINC001593698700	954088985	/nfs/dbraw/zinc/08/89/85/954088985.db2.gz	CWGUGPQCLWNTNS-LLVKDONJSA-N	-1	1	323.415	-1.405	20	0		DAADMM
O=C([O-])[C@@]1(C(=O)N2CCC(O)(c3nn[nH]n3)CC2)CCCO1	ZINC001594845908	954145781	/nfs/dbraw/zinc/14/57/81/954145781.db2.gz	GNRBXRMKUJEGPZ-LBPRGKRZSA-N	-1	1	311.298	-1.357	20	0		DAADMM
C[C@H]1CN2CCN1C[C@H]2C(=O)NCCOCCOCC(=O)[O-]	ZINC001589406742	954466461	/nfs/dbraw/zinc/46/64/61/954466461.db2.gz	KMJPMQMGHGUVEL-RYUDHWBXSA-N	-1	1	315.370	-1.391	20	0		DAADMM
CN1C[C@@H](O)C[C@@]1(C)C(=O)NCCOCCOCC(=O)[O-]	ZINC001593774674	954588203	/nfs/dbraw/zinc/58/82/03/954588203.db2.gz	STSWZFHSGKOWOE-GWCFXTLKSA-N	-1	1	304.343	-1.325	20	0		DAADMM
CN1C[C@H](O)C[C@]1(C)C(=O)NCCOCCOCC(=O)[O-]	ZINC001593774681	954588413	/nfs/dbraw/zinc/58/84/13/954588413.db2.gz	STSWZFHSGKOWOE-ZWNOBZJWSA-N	-1	1	304.343	-1.325	20	0		DAADMM
CN1CCN(CCCS(=O)(=O)NC[C@@](C)(O)C(=O)[O-])CC1	ZINC001593784916	954688312	/nfs/dbraw/zinc/68/83/12/954688312.db2.gz	RUANXIPHHNZYOK-GFCCVEGCSA-N	-1	1	323.415	-1.621	20	0		DAADMM
COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001593860225	955528200	/nfs/dbraw/zinc/52/82/00/955528200.db2.gz	IFIDSPMYINWTGQ-RKDXNWHRSA-N	-1	1	310.266	-1.161	20	0		DAADMM
COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001593860224	955528886	/nfs/dbraw/zinc/52/88/86/955528886.db2.gz	IFIDSPMYINWTGQ-BDAKNGLRSA-N	-1	1	310.266	-1.161	20	0		DAADMM
C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C(=O)[O-]	ZINC001589037150	955557856	/nfs/dbraw/zinc/55/78/56/955557856.db2.gz	XCJVLPGLFNWKIC-VHSXEESVSA-N	-1	1	300.359	-1.815	20	0		DAADMM
C[C@@H](CNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C)C(=O)[O-]	ZINC001589037150	955557867	/nfs/dbraw/zinc/55/78/67/955557867.db2.gz	XCJVLPGLFNWKIC-VHSXEESVSA-N	-1	1	300.359	-1.815	20	0		DAADMM
NC(=O)C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001594636032	956373030	/nfs/dbraw/zinc/37/30/30/956373030.db2.gz	AFZYCOCSMIPHPB-UHNVWZDZSA-N	-1	1	311.216	-1.406	20	0		DAADMM
COC[C@]1(C(=O)[O-])CN(C[C@H](O)C2(O)CCOCC2)CCO1	ZINC001593985844	956775757	/nfs/dbraw/zinc/77/57/57/956775757.db2.gz	KFHWMQVKPDCAOC-FZMZJTMJSA-N	-1	1	319.354	-1.309	20	0		DAADMM
COC[C@@]1(C(=O)[O-])CN(CCC(=O)NCC(=O)OC)CCO1	ZINC001593986295	956787835	/nfs/dbraw/zinc/78/78/35/956787835.db2.gz	STTDNJJSSGGJKX-CYBMUJFWSA-N	-1	1	318.326	-1.532	20	0		DAADMM
COC[C@]1(C(=O)[O-])CN(CCC(=O)NCC(=O)OC)CCO1	ZINC001593986296	956788300	/nfs/dbraw/zinc/78/83/00/956788300.db2.gz	STTDNJJSSGGJKX-ZDUSSCGKSA-N	-1	1	318.326	-1.532	20	0		DAADMM
O=C([O-])c1ccc(S(=O)(=O)NCC(=O)N2CCNCC2)o1	ZINC000048839459	957465739	/nfs/dbraw/zinc/46/57/39/957465739.db2.gz	XGZOMGUSPCKJJW-UHFFFAOYSA-N	-1	1	317.323	-1.312	20	0		DAADMM
CN(CCC(=O)[O-])S(=O)(=O)NCC(=O)N1CCNCC1	ZINC000088770316	958067981	/nfs/dbraw/zinc/06/79/81/958067981.db2.gz	SYPGKEPRADJRIE-UHFFFAOYSA-N	-1	1	308.360	-2.341	20	0		DAADMM
CN(C)S(=O)(=O)NCCNCc1c(C(=O)[O-])cnn1C	ZINC001604075593	972471743	/nfs/dbraw/zinc/47/17/43/972471743.db2.gz	LRGBMSJZDZGULZ-UHFFFAOYSA-N	-1	1	305.360	-1.396	20	0		DAADMM
CC1=C(C(=O)NCCN(C)CC(=O)[O-])S(=O)(=O)CCO1	ZINC001571092618	961124966	/nfs/dbraw/zinc/12/49/66/961124966.db2.gz	VRZUTEMLFBCMOE-UHFFFAOYSA-N	-1	1	306.340	-1.205	20	0		DAADMM
O=C([O-])c1cccn(CC(=O)NCCN2CC[C@@H](O)C2)c1=O	ZINC001571102349	961240772	/nfs/dbraw/zinc/24/07/72/961240772.db2.gz	NBXYTAGMNOXXRC-SNVBAGLBSA-N	-1	1	309.322	-1.271	20	0		DAADMM
CC(C)[N@@H+](C)C[C@H](O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001571103525	961261964	/nfs/dbraw/zinc/26/19/64/961261964.db2.gz	YPLCKMCERZZQLH-QWRGUYRKSA-N	-1	1	308.400	-1.129	20	0		DAADMM
CC(C)N(C)C[C@H](O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001571103525	961261983	/nfs/dbraw/zinc/26/19/83/961261983.db2.gz	YPLCKMCERZZQLH-QWRGUYRKSA-N	-1	1	308.400	-1.129	20	0		DAADMM
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC(O)(c3nn[nH]n3)CC2)O1	ZINC001571111668	961337488	/nfs/dbraw/zinc/33/74/88/961337488.db2.gz	OUHKKNRTULCZLO-SFYZADRCSA-N	-1	1	311.298	-1.358	20	0		DAADMM
CN(CC(=O)NCCC(=O)NCCC(=O)[O-])[C@@H]1CCC[C@H]1O	ZINC001571126487	961505711	/nfs/dbraw/zinc/50/57/11/961505711.db2.gz	SOUFNLJNHJDQCF-GHMZBOCLSA-N	-1	1	315.370	-1.071	20	0		DAADMM
O=C([O-])CNC(=O)[C@@H]1CCCN1C[C@@H](O)C[C@]1(O)CCOC1	ZINC001571131479	961557875	/nfs/dbraw/zinc/55/78/75/961557875.db2.gz	IBJNGFVJTFMOQC-COPLHBTASA-N	-1	1	316.354	-1.446	20	0		DAADMM
CN1CC[C@](O)(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC001588870504	962061638	/nfs/dbraw/zinc/06/16/38/962061638.db2.gz	MPDTXUHHYVTWSJ-LBPRGKRZSA-N	-1	1	321.399	-1.316	20	0		DAADMM
CN1CC[C@H](N2CCC(NC(=O)COCC(=O)[O-])CC2)C1=O	ZINC001588870683	962066618	/nfs/dbraw/zinc/06/66/18/962066618.db2.gz	PCAFIFHWBQRUKC-NSHDSACASA-N	-1	1	313.354	-1.101	20	0		DAADMM
CC1(C)NC(=O)N(CC(=O)N2CCN(CC(=O)[O-])CC2)C1=O	ZINC000314389160	963747781	/nfs/dbraw/zinc/74/77/81/963747781.db2.gz	CDDAGGJNEHFSJK-UHFFFAOYSA-N	-1	1	312.326	-1.454	20	0		DAADMM
CN1CCN(C)[C@@H](CNS(=O)(=O)c2cc(C(=O)[O-])no2)C1	ZINC000315489947	963908134	/nfs/dbraw/zinc/90/81/34/963908134.db2.gz	WWMBPIAENPWYNT-QMMMGPOBSA-N	-1	1	318.355	-1.103	20	0		DAADMM
CC(C)(CNCCS(=O)(=O)CC(=O)[O-])S(C)(=O)=O	ZINC000310887844	967946530	/nfs/dbraw/zinc/94/65/30/967946530.db2.gz	JTTMGLKGJMCQRO-UHFFFAOYSA-N	-1	1	301.386	-1.101	20	0		DAADMM
O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)Cn1ccc(=O)[nH]c1=O	ZINC000318492108	970439692	/nfs/dbraw/zinc/43/96/92/970439692.db2.gz	VRWRUCMFTOECGO-MRVPVSSYSA-N	-1	1	307.266	-1.516	20	0		DAADMM
COCCN(C)CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC001610258838	970708036	/nfs/dbraw/zinc/70/80/36/970708036.db2.gz	ZMPFGWKBFMRUBO-SNVBAGLBSA-N	-1	1	301.343	-1.386	20	0		DAADMM
CN1CCN(C)CCN(C(=O)NCCOCC(=O)[O-])CC1	ZINC001604221843	972722704	/nfs/dbraw/zinc/72/27/04/972722704.db2.gz	YCNAWZGUNKFNPZ-UHFFFAOYSA-N	-1	1	302.375	-1.024	20	0		DAADMM
CO[C@H](C(=O)[O-])C(=O)N1CCC(O)(CN2CCOCC2)CC1	ZINC001604422254	973193488	/nfs/dbraw/zinc/19/34/88/973193488.db2.gz	QTDYWIVRAPNFIU-NSHDSACASA-N	-1	1	316.354	-1.228	20	0		DAADMM
CN(C[C@@H](O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-])C1CC1	ZINC001606096425	973268506	/nfs/dbraw/zinc/26/85/06/973268506.db2.gz	YCCWYTAOEPYYDI-GHMZBOCLSA-N	-1	1	306.384	-1.375	20	0		DAADMM
O=C([O-])Cn1cc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)nn1	ZINC001606326796	973755357	/nfs/dbraw/zinc/75/53/57/973755357.db2.gz	WWOUGODEBVIGAJ-UWVGGRQHSA-N	-1	1	309.326	-1.356	20	0		DAADMM
O=C([O-])Cn1cc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)nn1	ZINC001606326797	973755481	/nfs/dbraw/zinc/75/54/81/973755481.db2.gz	WWOUGODEBVIGAJ-VHSXEESVSA-N	-1	1	309.326	-1.356	20	0		DAADMM
NC(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001605635085	973991041	/nfs/dbraw/zinc/99/10/41/973991041.db2.gz	JZLCFWWKLRUTRB-UWVGGRQHSA-N	-1	1	312.326	-1.328	20	0		DAADMM
C[C@H](CNC(=O)N1CC(O)(C(=O)[O-])C1)N1CCN(C)CC1	ZINC001592655264	978638228	/nfs/dbraw/zinc/63/82/28/978638228.db2.gz	QMXJEDBKDRFIKC-SNVBAGLBSA-N	-1	1	300.359	-1.537	20	0		DAADMM
C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)[C@@H]1CN(C)CCN1C	ZINC001593049447	980335537	/nfs/dbraw/zinc/33/55/37/980335537.db2.gz	AGAMAZYQGBMBPH-ONGXEEELSA-N	-1	1	310.358	-1.273	20	0		DAADMM
CCC[C@H]1CNCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC001595624163	981729310	/nfs/dbraw/zinc/72/93/10/981729310.db2.gz	NGPHWDXHNHGMOS-WDEREUQCSA-N	-1	1	313.354	-1.101	20	0		DAADMM
CCNS(=O)(=O)[C@H]1CCN(CCC(=O)NCC(=O)[O-])C1	ZINC001596495823	984240396	/nfs/dbraw/zinc/24/03/96/984240396.db2.gz	KBCFIYJNYAYGON-VIFPVBQESA-N	-1	1	307.372	-1.409	20	0		DAADMM
CCOC(=O)CN(C)C(=O)CN1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001596616131	984583397	/nfs/dbraw/zinc/58/33/97/984583397.db2.gz	PPDVSLHSNMTNGM-UWVGGRQHSA-N	-1	1	302.327	-1.225	20	0		DAADMM
C[C@]12CN(CCC(=O)NCC(=O)[O-])C[C@H]1CS(=O)(=O)C2	ZINC001599938168	985421788	/nfs/dbraw/zinc/42/17/88/985421788.db2.gz	GGAOBLRZFBWLNN-JOYOIKCWSA-N	-1	1	304.368	-1.056	20	0		DAADMM
C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)CN1CCOCC1=O	ZINC001594513962	985814784	/nfs/dbraw/zinc/81/47/84/985814784.db2.gz	BAYXBDGNLPHCCI-NSHDSACASA-N	-1	1	313.354	-1.147	20	0		DAADMM
C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1OCCN(C)C1=O	ZINC001594515763	985885518	/nfs/dbraw/zinc/88/55/18/985885518.db2.gz	QUCYYLQARUVGIY-ZYHUDNBSSA-N	-1	1	313.354	-1.149	20	0		DAADMM
C[C@@H]1CN2CCN1C[C@@H]2C(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001594584990	986471986	/nfs/dbraw/zinc/47/19/86/986471986.db2.gz	QNXQHVZYCBQUPK-GMTAPVOTSA-N	-1	1	313.354	-1.293	20	0		DAADMM
C[C@@H]1CN2CCN1C[C@@H]2C(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001594584992	986472082	/nfs/dbraw/zinc/47/20/82/986472082.db2.gz	QNXQHVZYCBQUPK-OUAUKWLOSA-N	-1	1	313.354	-1.293	20	0		DAADMM
CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC001597224398	987165491	/nfs/dbraw/zinc/16/54/91/987165491.db2.gz	VOINPXWZFLZALA-APPZFPTMSA-N	-1	1	318.355	-1.151	20	0		DAADMM
CCS(=O)(=O)NCC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1	ZINC001597224615	987167955	/nfs/dbraw/zinc/16/79/55/987167955.db2.gz	FGZOUVZPQMWTPH-SNVBAGLBSA-N	-1	1	321.399	-1.067	20	0		DAADMM
CCS(=O)(CC)=NS(=O)(=O)NCC(=O)NCC(=O)[O-]	ZINC001597246632	987228167	/nfs/dbraw/zinc/22/81/67/987228167.db2.gz	WNPUTBAQIODKLS-UHFFFAOYSA-N	-1	1	315.373	-1.471	20	0		DAADMM
CN(CC(=O)N[C@@](C)(CO)C(=O)[O-])c1ncnc2[nH]cnc21	ZINC001598386628	991608400	/nfs/dbraw/zinc/60/84/00/991608400.db2.gz	DTUFFIQWTMCLGX-LBPRGKRZSA-N	-1	1	308.298	-1.259	20	0		DAADMM
CN(CCCNC(=O)CN[C@H](C(=O)[O-])C1CC1)S(C)(=O)=O	ZINC001598479956	992133183	/nfs/dbraw/zinc/13/31/83/992133183.db2.gz	PBBNXDDXUUPWTB-NSHDSACASA-N	-1	1	321.399	-1.163	20	0		DAADMM
CN(CCCNC(=O)CN[C@@H](C(=O)[O-])C1CC1)S(C)(=O)=O	ZINC001598479955	992133312	/nfs/dbraw/zinc/13/33/12/992133312.db2.gz	PBBNXDDXUUPWTB-LLVKDONJSA-N	-1	1	321.399	-1.163	20	0		DAADMM
CN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])CC(=O)NC(N)=O	ZINC001598480033	992134421	/nfs/dbraw/zinc/13/44/21/992134421.db2.gz	RGWGSUPTSNFJDF-SFYZADRCSA-N	-1	1	300.315	-1.660	20	0		DAADMM
CN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])CCN1C(=O)CNC1=O	ZINC001598488710	992249635	/nfs/dbraw/zinc/24/96/35/992249635.db2.gz	FHMGCWCGRAQTSD-DTWKUNHWSA-N	-1	1	312.326	-1.693	20	0		DAADMM
CN(Cc1nnc[nH]1)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001598541151	992902116	/nfs/dbraw/zinc/90/21/16/992902116.db2.gz	OGMSHXWDHDMUOZ-SFYZADRCSA-N	-1	1	311.298	-1.943	20	0		DAADMM
CN(CC1CN(C)C1)C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001598567331	993159530	/nfs/dbraw/zinc/15/95/30/993159530.db2.gz	RHTAONPPPIXBAA-WDEREUQCSA-N	-1	1	313.354	-1.700	20	0		DAADMM
CN1CCN(C)[C@@H](CNC(=O)Cn2cccc(C(=O)[O-])c2=O)C1	ZINC001598612588	993808583	/nfs/dbraw/zinc/80/85/83/993808583.db2.gz	VCMDQMDKFVEOPR-NSHDSACASA-N	-1	1	322.365	-1.092	20	0		DAADMM
CN1CCN(CCN(CC(=O)[O-])C(=O)Cn2cnnn2)CC1	ZINC001598617369	993913853	/nfs/dbraw/zinc/91/38/53/993913853.db2.gz	YHFNDZVFZRTBJF-UHFFFAOYSA-N	-1	1	311.346	-2.166	20	0		DAADMM
CN1CCN(CCN(CC(=O)[O-])C(=O)[C@H]2CCNC2=O)CC1	ZINC001598618060	993931941	/nfs/dbraw/zinc/93/19/41/993931941.db2.gz	QQTNEWCHBOZQBW-NSHDSACASA-N	-1	1	312.370	-1.717	20	0		DAADMM
CN1CCN(CCN(CC(=O)[O-])C(=O)[C@@H]2CCNC2=O)CC1	ZINC001598618059	993932260	/nfs/dbraw/zinc/93/22/60/993932260.db2.gz	QQTNEWCHBOZQBW-LLVKDONJSA-N	-1	1	312.370	-1.717	20	0		DAADMM
CNC(=O)NC(=O)CN(C)CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001598651176	994445159	/nfs/dbraw/zinc/44/51/59/994445159.db2.gz	CDRSWCOFDXSHGI-BDAKNGLRSA-N	-1	1	314.342	-1.399	20	0		DAADMM
CNC(=O)NC(=O)CNC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001598652026	994459515	/nfs/dbraw/zinc/45/95/15/994459515.db2.gz	MMQNHOUNKXBFMM-JGVFFNPUSA-N	-1	1	312.326	-1.599	20	0		DAADMM
CNS(=O)(=O)CCN1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC001598671231	994760750	/nfs/dbraw/zinc/76/07/50/994760750.db2.gz	CHFVVFZSDOZZCE-RKDXNWHRSA-N	-1	1	308.356	-1.126	20	0		DAADMM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)C1CN([C@@H]2CCOC2)C1	ZINC001598695490	995130769	/nfs/dbraw/zinc/13/07/69/995130769.db2.gz	VCTISSIZXHQAPF-NXEZZACHSA-N	-1	1	300.311	-1.160	20	0		DAADMM
C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(CC(=O)[O-])CC1	ZINC001593426535	995230677	/nfs/dbraw/zinc/23/06/77/995230677.db2.gz	SDYUAUONDHTLKW-CABZTGNLSA-N	-1	1	313.354	-1.509	20	0		DAADMM
COC(=O)[C@@]1(N2CCN(C[C@@](C)(O)C(=O)[O-])CC2)CCOC1	ZINC001598720922	995474118	/nfs/dbraw/zinc/47/41/18/995474118.db2.gz	AMFNVQXBMFHKFS-ZIAGYGMSSA-N	-1	1	316.354	-1.228	20	0		DAADMM
COC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])no1)C(=O)OC	ZINC001599177353	996873967	/nfs/dbraw/zinc/87/39/67/996873967.db2.gz	KLGUQXAXKPISJR-LURJTMIESA-N	-1	1	308.268	-1.161	20	0		DAADMM
COC[C@]1(C(=O)N2CCO[C@H](CC(=O)[O-])C2)CNCCO1	ZINC001599185525	997019083	/nfs/dbraw/zinc/01/90/83/997019083.db2.gz	ZUJKSMDPFWPRAA-MFKMUULPSA-N	-1	1	302.327	-1.307	20	0		DAADMM
COC1(OC)CCN(CCc2cn(CC(=O)[O-])nn2)C[C@@H]1O	ZINC001599093797	997241861	/nfs/dbraw/zinc/24/18/61/997241861.db2.gz	IRRUXBIBGVKRHE-NSHDSACASA-N	-1	1	314.342	-1.039	20	0		DAADMM
COC[C@H]1CNCCN1C(=O)C(=O)NCCCCC(=O)[O-]	ZINC001599206765	997422794	/nfs/dbraw/zinc/42/27/94/997422794.db2.gz	FAEADJIZQODPBC-SNVBAGLBSA-N	-1	1	301.343	-1.196	20	0		DAADMM
COCC[C@@H]1CNCCN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC001599221317	997674722	/nfs/dbraw/zinc/67/47/22/997674722.db2.gz	NIOXDVUDTLIUEI-GHMZBOCLSA-N	-1	1	313.354	-1.244	20	0		DAADMM
COCCCS(=O)(=O)NCCN1CCC[C@H](O)[C@H]1C(=O)[O-]	ZINC001599229088	997814365	/nfs/dbraw/zinc/81/43/65/997814365.db2.gz	ARPRSUCUJNIAAH-QWRGUYRKSA-N	-1	1	324.399	-1.148	20	0		DAADMM
COCC(COC)S(=O)(=O)N1CCN(C)C[C@H](C(=O)[O-])C1	ZINC001599167015	998556532	/nfs/dbraw/zinc/55/65/32/998556532.db2.gz	UHWGYRCMGQSDAP-JTQLQIEISA-N	-1	1	324.399	-1.074	20	0		DAADMM
COC(=O)c1c[n-]nc1S(=O)(=O)NCC[N@@H+](C)CC(=O)[O-]	ZINC001599007760	998870374	/nfs/dbraw/zinc/87/03/74/998870374.db2.gz	OEIUSOSSZVWLPS-UHFFFAOYSA-N	-1	1	320.327	-1.509	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@@H]2OCCN(C)C2=O)CCN1CCC(=O)[O-]	ZINC001594467067	999692878	/nfs/dbraw/zinc/69/28/78/999692878.db2.gz	XGTKFKBBAPTSII-ZYHUDNBSSA-N	-1	1	313.354	-1.149	20	0		DAADMM
COC[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001191756689	781922692	/nfs/dbraw/zinc/92/26/92/781922692.db2.gz	VNJKCUMLWHWEBA-OPRDCNLKSA-N	-1	1	313.358	-1.948	20	0		DAADMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC(C)(CO)CO	ZINC000393873533	545652289	/nfs/dbraw/zinc/65/22/89/545652289.db2.gz	OXNVYVIOZBLRNU-UHFFFAOYSA-N	-1	1	321.355	-1.144	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@](C)(O)C2CC2)c(=O)n(C)c1=O	ZINC000313927560	545671255	/nfs/dbraw/zinc/67/12/55/545671255.db2.gz	XMPQXJAROGHLBE-GFCCVEGCSA-N	-1	1	317.367	-1.477	20	0		DAADMM
C[C@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000343990390	545709088	/nfs/dbraw/zinc/70/90/88/545709088.db2.gz	PVNZVWWRFCLGMC-PRHODGIISA-N	-1	1	317.367	-1.070	20	0		DAADMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H](O)COC	ZINC000071271239	372794468	/nfs/dbraw/zinc/79/44/68/372794468.db2.gz	WNVWUUGCEDFNTP-ZETCQYMHSA-N	-1	1	307.328	-1.128	20	0		DAADMM
COCCN(CCOC)S(=O)(=O)[N-][C@H]1COCCC1=O	ZINC000625491329	372823624	/nfs/dbraw/zinc/82/36/24/372823624.db2.gz	PXHWPZFEYUYCOU-JTQLQIEISA-N	-1	1	310.372	-1.226	20	0		DAADMM
COc1cc[n-]c(=NNC(=O)NCCNS(C)(=O)=O)n1	ZINC000045588321	372804176	/nfs/dbraw/zinc/80/41/76/372804176.db2.gz	MNRNWKTXPLFGJB-UHFFFAOYSA-N	-1	1	304.332	-1.340	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC2(O)CCCC2)c(=O)n(C)c1=O	ZINC000087041712	372812051	/nfs/dbraw/zinc/81/20/51/372812051.db2.gz	UBZJKYJGJLYBMU-UHFFFAOYSA-N	-1	1	317.367	-1.333	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2C[C@H](C(N)=O)C2)c(=O)n(C)c1=O	ZINC000625429248	372814554	/nfs/dbraw/zinc/81/45/54/372814554.db2.gz	UPBUIWXCSKQVFX-LJGSYFOKSA-N	-1	1	316.339	-2.374	20	0		DAADMM
CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2nn[n-]n2)C1	ZINC000600496826	372841208	/nfs/dbraw/zinc/84/12/08/372841208.db2.gz	GQMDLEGYHRXZAQ-QMMMGPOBSA-N	-1	1	302.360	-1.122	20	0		DAADMM
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCO1	ZINC000271271662	372895288	/nfs/dbraw/zinc/89/52/88/372895288.db2.gz	ONYIRXWHKFKRMI-IUCAKERBSA-N	-1	1	317.367	-1.070	20	0		DAADMM
CCOC[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000147135501	372898297	/nfs/dbraw/zinc/89/82/97/372898297.db2.gz	UNTGCQMQEFLNEE-QMMMGPOBSA-N	-1	1	305.356	-1.213	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@]2(C)CCOC2)c(=O)n(C)c1=O	ZINC000270228735	372885986	/nfs/dbraw/zinc/88/59/86/372885986.db2.gz	ODWUFOBDFLDDJV-LLVKDONJSA-N	-1	1	303.340	-1.459	20	0		DAADMM
CN(CC(=O)N1CCN(C)CC1)C(=O)CCCc1nn[n-]n1	ZINC000636316659	372919519	/nfs/dbraw/zinc/91/95/19/372919519.db2.gz	UEWCWTZPEMDLFG-UHFFFAOYSA-N	-1	1	309.374	-1.245	20	0		DAADMM
CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1	ZINC000595327863	372998330	/nfs/dbraw/zinc/99/83/30/372998330.db2.gz	DJAGIGQFIJJFOR-SSDOTTSWSA-N	-1	1	320.323	-1.240	20	0		DAADMM
COC(=O)C[C@@H]([N-]S(=O)(=O)N1CCCOCC1)C(=O)OC	ZINC000593526617	372982789	/nfs/dbraw/zinc/98/27/89/372982789.db2.gz	IZMGMWNLHRQFAF-SECBINFHSA-N	-1	1	324.355	-1.352	20	0		DAADMM
COC(=O)[C@]1([N-]S(=O)(=O)N2CCCOCC2)CCOC1	ZINC000593561541	372983420	/nfs/dbraw/zinc/98/34/20/372983420.db2.gz	WEKDRROWCCRGFW-NSHDSACASA-N	-1	1	308.356	-1.125	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCCc2nc(=O)o[n-]2)on1	ZINC000599292689	373039074	/nfs/dbraw/zinc/03/90/74/373039074.db2.gz	LAKJKNIOINHUGM-UHFFFAOYSA-N	-1	1	318.267	-1.342	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@H]2COCCO2)c(=O)n(C)c1=O	ZINC000055283116	373094357	/nfs/dbraw/zinc/09/43/57/373094357.db2.gz	MAMBPEBYZLXKLS-QMMMGPOBSA-N	-1	1	319.339	-2.222	20	0		DAADMM
COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000268764966	373167587	/nfs/dbraw/zinc/16/75/87/373167587.db2.gz	GRAJYFHHPDMOOL-ZETCQYMHSA-N	-1	1	319.339	-1.829	20	0		DAADMM
CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000269756037	373170460	/nfs/dbraw/zinc/17/04/60/373170460.db2.gz	IQKNLXUPZFHFDG-BDAKNGLRSA-N	-1	1	319.383	-1.231	20	0		DAADMM
C[C@H](CN(C)C(=O)CN(C)S(=O)(=O)N(C)C)c1nn[n-]n1	ZINC000571453554	373149803	/nfs/dbraw/zinc/14/98/03/373149803.db2.gz	XLFAJOLRAHHINM-MRVPVSSYSA-N	-1	1	319.391	-1.500	20	0		DAADMM
COC(=O)C[C@H]([N-]S(=O)(=O)c1c(C)onc1N)C(=O)OC	ZINC000289620414	373214158	/nfs/dbraw/zinc/21/41/58/373214158.db2.gz	XVBPWHVVEOHVJC-LURJTMIESA-N	-1	1	321.311	-1.052	20	0		DAADMM
COC(=O)c1coc(S(=O)(=O)[N-][C@H](CO)C(=O)OC)c1	ZINC000271708229	373178705	/nfs/dbraw/zinc/17/87/05/373178705.db2.gz	IRSKTIFWKKPTBI-SSDOTTSWSA-N	-1	1	307.280	-1.122	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2CCCOC2)c(=O)n(C)c1=O	ZINC000264377038	373274188	/nfs/dbraw/zinc/27/41/88/373274188.db2.gz	KGPGBCZBUQSIBO-QMMMGPOBSA-N	-1	1	303.340	-1.459	20	0		DAADMM
CO[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1CC1	ZINC000293866054	373228119	/nfs/dbraw/zinc/22/81/19/373228119.db2.gz	SFENERDEHJGFON-VIFPVBQESA-N	-1	1	317.367	-1.213	20	0		DAADMM
O=C(CN1CCOCC1=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1	ZINC000294108775	373228151	/nfs/dbraw/zinc/22/81/51/373228151.db2.gz	FQZRSZFPKSTFLY-VIFPVBQESA-N	-1	1	309.326	-1.337	20	0		DAADMM
O=C(CN1CCCS1(=O)=O)N1CCC[C@H](c2nn[n-]n2)C1	ZINC000536077257	373267626	/nfs/dbraw/zinc/26/76/26/373267626.db2.gz	GYEXNLIHAQHWEW-VIFPVBQESA-N	-1	1	314.371	-1.059	20	0		DAADMM
O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000612818052	373361941	/nfs/dbraw/zinc/36/19/41/373361941.db2.gz	PCWNLECRJZAUFO-QCNRFFRDSA-N	-1	1	309.326	-1.682	20	0		DAADMM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)O1	ZINC000632648497	373402148	/nfs/dbraw/zinc/40/21/48/373402148.db2.gz	QQQOPJYSVMZZSK-HRDYMLBCSA-N	-1	1	317.367	-1.072	20	0		DAADMM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)O1	ZINC000632648498	373402699	/nfs/dbraw/zinc/40/26/99/373402699.db2.gz	QQQOPJYSVMZZSK-IWSPIJDZSA-N	-1	1	317.367	-1.072	20	0		DAADMM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)O1	ZINC000632648499	373403171	/nfs/dbraw/zinc/40/31/71/373403171.db2.gz	QQQOPJYSVMZZSK-VGMNWLOBSA-N	-1	1	317.367	-1.072	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCCOCCO)c(=O)n(C)c1=O	ZINC000227614169	373451383	/nfs/dbraw/zinc/45/13/83/373451383.db2.gz	HDGUIMXHDAXGMK-UHFFFAOYSA-N	-1	1	321.355	-2.239	20	0		DAADMM
COC[C@@H](CCO)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000230194128	373453200	/nfs/dbraw/zinc/45/32/00/373453200.db2.gz	KDVUELHQGBFDKF-MRVPVSSYSA-N	-1	1	321.355	-2.240	20	0		DAADMM
C[C@H](CO)CCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000230153255	373453505	/nfs/dbraw/zinc/45/35/05/373453505.db2.gz	ZOKUICYEDHUAOR-VIFPVBQESA-N	-1	1	319.383	-1.229	20	0		DAADMM
C[C@@H](CN(C)C(=O)[C@@H]1CCN=C2C1=NNN2C)c1nn[n-]n1	ZINC000613474628	373455893	/nfs/dbraw/zinc/45/58/93/373455893.db2.gz	IFYXBECUGIMOJW-JGVFFNPUSA-N	-1	1	305.346	-1.014	20	0		DAADMM
COC[C@@H](CO)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000234886649	373457122	/nfs/dbraw/zinc/45/71/22/373457122.db2.gz	KVLXOTIYOHGGHB-SSDOTTSWSA-N	-1	1	307.328	-2.630	20	0		DAADMM
C[C@@H](CN(C)C(=O)[C@H]1CCN=C2C1=NNN2C)c1nn[n-]n1	ZINC000613474631	373457301	/nfs/dbraw/zinc/45/73/01/373457301.db2.gz	IFYXBECUGIMOJW-YUMQZZPRSA-N	-1	1	305.346	-1.014	20	0		DAADMM
COC(=O)c1cn(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)nn1	ZINC000539326618	373493344	/nfs/dbraw/zinc/49/33/44/373493344.db2.gz	OUEVLZLYQGAOLU-MRVPVSSYSA-N	-1	1	320.313	-1.016	20	0		DAADMM
CCN1C[C@H](S(=O)(=O)N(CCN(C)C)CC(=O)[O-])CC1=O	ZINC000630440535	373500804	/nfs/dbraw/zinc/50/08/04/373500804.db2.gz	DBGOTDBSDTUMAH-SNVBAGLBSA-N	-1	1	321.399	-1.115	20	0		DAADMM
O=C(CN1CCNCC1=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000566196576	373524642	/nfs/dbraw/zinc/52/46/42/373524642.db2.gz	ORXVKYNSFMWWRS-SECBINFHSA-N	-1	1	309.326	-1.087	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@H](O)C2CCC2)c(=O)n(C)c1=O	ZINC000316055180	373546179	/nfs/dbraw/zinc/54/61/79/373546179.db2.gz	OASQKOIWFXYYPP-SECBINFHSA-N	-1	1	317.367	-1.477	20	0		DAADMM
COC(=O)[C@H](CN1CCOCC1)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000574630843	373560825	/nfs/dbraw/zinc/56/08/25/373560825.db2.gz	OJGRZOKDPWXSHW-MNOVXSKESA-N	-1	1	322.383	-1.432	20	0		DAADMM
C[C@H](CCCO)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000384654653	373604349	/nfs/dbraw/zinc/60/43/49/373604349.db2.gz	ZESSHQZZQISQQY-SECBINFHSA-N	-1	1	319.383	-1.229	20	0		DAADMM
CN1C(=O)C[C@H]([N-]S(=O)(=O)C[C@@H]2CN(C)CCO2)C1=O	ZINC000632313704	373715947	/nfs/dbraw/zinc/71/59/47/373715947.db2.gz	NCONRQZZDHXZRY-IUCAKERBSA-N	-1	1	305.356	-2.006	20	0		DAADMM
COC(=O)[C@H]([N-]S(=O)(=O)N1C[C@H](C)OC[C@H]1C)[C@H](C)O	ZINC000444191895	545781475	/nfs/dbraw/zinc/78/14/75/545781475.db2.gz	JBEFLGVGJNRATE-XFWSIPNHSA-N	-1	1	310.372	-1.148	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCOC2)c(=O)n(C)c1=O	ZINC000045743160	183526780	/nfs/dbraw/zinc/52/67/80/183526780.db2.gz	PLGLHTZOQFMLLO-QMMMGPOBSA-N	-1	1	303.340	-1.601	20	0		DAADMM
CC[C@@H](O)[C@@H](CC)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000313078530	269722094	/nfs/dbraw/zinc/72/20/94/269722094.db2.gz	FSRFACLRVDCRTR-RKDXNWHRSA-N	-1	1	319.383	-1.088	20	0		DAADMM
O=C(C(=O)N1CCN(Cc2nc(=O)[n-][nH]2)CC1)N1CCOCC1	ZINC000271648234	129944509	/nfs/dbraw/zinc/94/45/09/129944509.db2.gz	UGXKTJAPGNTVPT-UHFFFAOYSA-N	-1	1	324.341	-2.399	20	0		DAADMM
COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000287468821	131282249	/nfs/dbraw/zinc/28/22/49/131282249.db2.gz	PNUPDCKWLUZYMV-ZCFIWIBFSA-N	-1	1	323.302	-2.127	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCC(=O)N2)c(=O)n(C)c1=O	ZINC000657190221	545824107	/nfs/dbraw/zinc/82/41/07/545824107.db2.gz	SMDQLFBLJAENKK-ZETCQYMHSA-N	-1	1	316.339	-2.359	20	0		DAADMM
CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)N1CCOC(C)(C)C1	ZINC000351975334	545828947	/nfs/dbraw/zinc/82/89/47/545828947.db2.gz	MLRIOTAHMHTNRN-SECBINFHSA-N	-1	1	310.372	-1.144	20	0		DAADMM
Cc1nnc2n1C[C@@H](C(=O)NCCNCc1n[nH]c(=O)[n-]1)CC2	ZINC001152090669	781998351	/nfs/dbraw/zinc/99/83/51/781998351.db2.gz	KCBGTAJWSVTNHS-VIFPVBQESA-N	-1	1	320.357	-1.121	20	0		DAADMM
CON(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001193205499	781998909	/nfs/dbraw/zinc/99/89/09/781998909.db2.gz	DQTXDCILARBTHC-ZCFIWIBFSA-N	-1	1	320.327	-1.828	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C2COCCOC2)c(=O)n(C)c1=O	ZINC000644288711	409357797	/nfs/dbraw/zinc/35/77/97/409357797.db2.gz	KPJXXHXOCIIQMN-UHFFFAOYSA-N	-1	1	319.339	-2.222	20	0		DAADMM
CCN1C[C@H](CN=c2ccc(C(=O)NCCO)n[n-]2)CC1=O	ZINC000651422831	409367917	/nfs/dbraw/zinc/36/79/17/409367917.db2.gz	NZNHQNRGHFPATA-JTQLQIEISA-N	-1	1	307.354	-1.099	20	0		DAADMM
CN(C)CC(=O)N1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1	ZINC000435231286	409397609	/nfs/dbraw/zinc/39/76/09/409397609.db2.gz	UJZOGZWIUKEHHX-UHFFFAOYSA-N	-1	1	323.353	-1.668	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCn2ncnn2)c(=O)n(C)c1=O	ZINC000351598150	409459287	/nfs/dbraw/zinc/45/92/87/409459287.db2.gz	SLWAXZOZUYYIBO-UHFFFAOYSA-N	-1	1	315.315	-2.951	20	0		DAADMM
O=S(=O)([N-]CC(F)(F)CO)N1CCS(=O)(=O)CC1	ZINC000341968392	409415007	/nfs/dbraw/zinc/41/50/07/409415007.db2.gz	BUGOPLDCHCGPEV-UHFFFAOYSA-N	-1	1	308.328	-1.821	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]Cc2ccno2)c(=O)n(C)c1=O	ZINC000330734392	409420956	/nfs/dbraw/zinc/42/09/56/409420956.db2.gz	MCANHFJVNHIGQF-UHFFFAOYSA-N	-1	1	300.296	-1.450	20	0		DAADMM
CNC(=O)[C@H](CO)[N-]S(=O)(=O)CC1(C(=O)OC)CCCC1	ZINC000349535174	409454480	/nfs/dbraw/zinc/45/44/80/409454480.db2.gz	KKQPLPISTOXLHW-VIFPVBQESA-N	-1	1	322.383	-1.254	20	0		DAADMM
COC[C@H]([N-]S(=O)(=O)N(C)CCC(=O)OC)C(=O)OC	ZINC000350617633	409456325	/nfs/dbraw/zinc/45/63/25/409456325.db2.gz	GQFDAALFWXVHHI-QMMMGPOBSA-N	-1	1	312.344	-1.496	20	0		DAADMM
NC(=O)CN(CC(N)=O)C(=O)CNC(=O)c1ncccc1[O-]	ZINC000352352708	409467569	/nfs/dbraw/zinc/46/75/69/409467569.db2.gz	MGJYBGSWTUTDLQ-UHFFFAOYSA-N	-1	1	309.282	-2.684	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)NC[C@](C)(O)C(=O)OC)co1	ZINC000358900322	409500215	/nfs/dbraw/zinc/50/02/15/409500215.db2.gz	HNXWUKXRVZAZFZ-NSHDSACASA-N	-1	1	320.323	-1.159	20	0		DAADMM
COC(=O)[C@H](NC(=O)CNC(=O)c1ncccc1[O-])[C@@H](C)O	ZINC000442920551	409588522	/nfs/dbraw/zinc/58/85/22/409588522.db2.gz	HCXJTDQRPBXYKV-GMSGAONNSA-N	-1	1	311.294	-1.444	20	0		DAADMM
CC[C@H](CCO)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000158889941	409592645	/nfs/dbraw/zinc/59/26/45/409592645.db2.gz	HTERHQJBIJMXII-MRVPVSSYSA-N	-1	1	305.356	-1.477	20	0		DAADMM
CNC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1	ZINC000659944463	409700799	/nfs/dbraw/zinc/70/07/99/409700799.db2.gz	UDOMZDPWFCYUEP-JQWIXIFHSA-N	-1	1	324.399	-1.403	20	0		DAADMM
C[C@H](O)C1([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1	ZINC000660048729	409703493	/nfs/dbraw/zinc/70/34/93/409703493.db2.gz	PSLPLBWLHKZACX-ZETCQYMHSA-N	-1	1	303.340	-1.724	20	0		DAADMM
C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1(CO)CC1	ZINC000657101296	409677531	/nfs/dbraw/zinc/67/75/31/409677531.db2.gz	ZCBRWUXYWMVTTK-MRVPVSSYSA-N	-1	1	317.367	-1.477	20	0		DAADMM
CO[C@H](C)CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1OC	ZINC000657100943	409679096	/nfs/dbraw/zinc/67/90/96/409679096.db2.gz	PCZUIWNLKDTSPS-IWSPIJDZSA-N	-1	1	301.386	-1.247	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCOCC1	ZINC000584319113	409810852	/nfs/dbraw/zinc/81/08/52/409810852.db2.gz	NMTHIVPKDSCEMN-ZETCQYMHSA-N	-1	1	318.355	-0.909	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]CC(=O)N=c1ccn(C)[nH]1	ZINC000570205163	409811267	/nfs/dbraw/zinc/81/12/67/409811267.db2.gz	YSSROKFABLGCOP-UHFFFAOYSA-N	-1	1	314.327	-1.362	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]CCCCS(N)(=O)=O	ZINC000339025080	409811472	/nfs/dbraw/zinc/81/14/72/409811472.db2.gz	WVVCDXAZRIGURN-UHFFFAOYSA-N	-1	1	312.373	-1.088	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C2(C(N)=O)CCC2)c(=O)n(C)c1=O	ZINC000676643118	545872226	/nfs/dbraw/zinc/87/22/26/545872226.db2.gz	RQCZRPSEAMBIMU-UHFFFAOYSA-N	-1	1	316.339	-2.230	20	0		DAADMM
NC(=O)[C@]1(O)CCCN(C(=O)CNC(=O)c2ncccc2[O-])C1	ZINC000347667447	262544674	/nfs/dbraw/zinc/54/46/74/262544674.db2.gz	BPODKFMLQOTRBR-AWEZNQCLSA-N	-1	1	322.321	-1.644	20	0		DAADMM
COCC[C@@H]([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)C(=O)OC	ZINC000352593352	262560304	/nfs/dbraw/zinc/56/03/04/262560304.db2.gz	PUPVESALDCDFIN-DTWKUNHWSA-N	-1	1	310.372	-1.039	20	0		DAADMM
CC(C)(C)OC(=O)NN1C[C@@H](C(=O)[N-]OCC(N)=O)CC1=O	ZINC000494588002	262651729	/nfs/dbraw/zinc/65/17/29/262651729.db2.gz	AXICPYCYUBJILX-ZETCQYMHSA-N	-1	1	316.314	-1.192	20	0		DAADMM
C[C@@H](CNC(=O)CNC(=O)c1ncccc1[O-])S(N)(=O)=O	ZINC000350621413	263218176	/nfs/dbraw/zinc/21/81/76/263218176.db2.gz	RGSOGQXCOZZGTD-ZETCQYMHSA-N	-1	1	316.339	-1.690	20	0		DAADMM
O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1nnn[n-]1	ZINC000346357644	263219661	/nfs/dbraw/zinc/21/96/61/263219661.db2.gz	YHHDFKICXRIFJW-JTQLQIEISA-N	-1	1	323.357	-1.149	20	0		DAADMM
CCOC(=O)[C@@H](CO)NC(=O)c1coc(S(=O)(=O)[N-]C)c1	ZINC000360601772	263223207	/nfs/dbraw/zinc/22/32/07/263223207.db2.gz	WCVZEEJTUMIIOS-MRVPVSSYSA-N	-1	1	320.323	-1.159	20	0		DAADMM
CCOC(=O)[C@H](CO)[N-]S(=O)(=O)N(C)CCC(=O)OC	ZINC000351977301	263223323	/nfs/dbraw/zinc/22/33/23/263223323.db2.gz	VVSXQHSLBTZKBM-QMMMGPOBSA-N	-1	1	312.344	-1.760	20	0		DAADMM
CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000313935321	263229044	/nfs/dbraw/zinc/22/90/44/263229044.db2.gz	YXMQGTISWPBUJE-LBPRGKRZSA-N	-1	1	319.383	-1.231	20	0		DAADMM
CN(CC(=O)Nc1nc(SCCO)n[nH]1)S(C)(=O)=O	ZINC000355458650	263229477	/nfs/dbraw/zinc/22/94/77/263229477.db2.gz	PMQNYLGVOPLUAM-UHFFFAOYSA-N	-1	1	309.373	-1.281	20	0		DAADMM
COC[C@H](O)CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000231599923	263245816	/nfs/dbraw/zinc/24/58/16/263245816.db2.gz	FQZOTMNSWAJYCK-MRVPVSSYSA-N	-1	1	321.355	-2.240	20	0		DAADMM
COC(=O)[C@@H](CO)[N-]S(=O)(=O)CCCN1CCOCC1	ZINC000361821535	263247048	/nfs/dbraw/zinc/24/70/48/263247048.db2.gz	SHQYJOHPQAILBD-SNVBAGLBSA-N	-1	1	310.372	-1.838	20	0		DAADMM
CCN(CC)S(=O)(=O)CC(=O)NC1(c2nn[n-]n2)CC1	ZINC000357057328	263250101	/nfs/dbraw/zinc/25/01/01/263250101.db2.gz	PTDTUZFXFAFPGF-UHFFFAOYSA-N	-1	1	302.360	-1.023	20	0		DAADMM
CS(=O)(=O)C1CN(C(=O)CNC(=O)c2ncccc2[O-])C1	ZINC000456975034	263254629	/nfs/dbraw/zinc/25/46/29/263254629.db2.gz	ULOSTOVGJIUIMB-UHFFFAOYSA-N	-1	1	313.335	-1.228	20	0		DAADMM
CCC[C@@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)c1nn[n-]n1	ZINC000343730123	263262066	/nfs/dbraw/zinc/26/20/66/263262066.db2.gz	RERDAYLPRQBYEC-ZCFIWIBFSA-N	-1	1	309.286	-1.422	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC23CC(C2)CO3)c(=O)n(C)c1=O	ZINC000528532212	263262766	/nfs/dbraw/zinc/26/27/66/263262766.db2.gz	UBVALWLUFCMVNS-UHFFFAOYSA-N	-1	1	315.351	-1.459	20	0		DAADMM
C[N@@H+](CC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)C[C@H]1O	ZINC000417372740	263270898	/nfs/dbraw/zinc/27/08/98/263270898.db2.gz	ZRVVKCZRZKLUQF-DEKFOEGESA-N	-1	1	314.338	-1.069	20	0		DAADMM
C[C@H](CC(N)=O)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000360491346	263274374	/nfs/dbraw/zinc/27/43/74/263274374.db2.gz	MZTVWJLEDPMFFN-ZCFIWIBFSA-N	-1	1	304.328	-2.374	20	0		DAADMM
COCCN1C[C@@H](C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CC1=O	ZINC000370859634	263281151	/nfs/dbraw/zinc/28/11/51/263281151.db2.gz	HNACICYNPSBBRZ-VHSXEESVSA-N	-1	1	324.341	-1.406	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@]2(O)CCOC2)c(=O)n(C)c1=O	ZINC000229633305	263282118	/nfs/dbraw/zinc/28/21/18/263282118.db2.gz	DBXVWCMHYSFZAW-LLVKDONJSA-N	-1	1	319.339	-2.486	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCCCCO)c(=O)n(C)c1=O	ZINC000229157014	263288170	/nfs/dbraw/zinc/28/81/70/263288170.db2.gz	ZCZARNYAQFREKX-UHFFFAOYSA-N	-1	1	305.356	-1.475	20	0		DAADMM
CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1	ZINC000416530261	263290991	/nfs/dbraw/zinc/29/09/91/263290991.db2.gz	RQKKLLVSBJOEIL-DTORHVGOSA-N	-1	1	317.367	-1.070	20	0		DAADMM
COC[C@H](NC(=O)CNC(=O)c1ncccc1[O-])C(=O)OC	ZINC000351799509	263310726	/nfs/dbraw/zinc/31/07/26/263310726.db2.gz	QHPIEFKZRFIWOR-QMMMGPOBSA-N	-1	1	311.294	-1.179	20	0		DAADMM
COCCN(CCOC)S(=O)(=O)[N-][C@H](CO)C(=O)OC	ZINC000351948612	263312919	/nfs/dbraw/zinc/31/29/19/263312919.db2.gz	GSTFLAYCSQZSMF-SECBINFHSA-N	-1	1	314.360	-2.051	20	0		DAADMM
COC(=O)[C@H]([N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)[C@H](C)O	ZINC000344538820	263317613	/nfs/dbraw/zinc/31/76/13/263317613.db2.gz	NZAMXZOTHNUHNZ-QCLAVDOMSA-N	-1	1	310.372	-1.148	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCC[S@@](C)=O)c(=O)n(C)c1=O	ZINC000342503712	263323417	/nfs/dbraw/zinc/32/34/17/263323417.db2.gz	ZXHRKHOQEVNXBY-LJQANCHMSA-N	-1	1	323.396	-1.869	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])NC[C@H]1CN2CCN1CC2	ZINC000344597085	263326145	/nfs/dbraw/zinc/32/61/45/263326145.db2.gz	WWODQDNQKUITAE-NSHDSACASA-N	-1	1	319.365	-1.367	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CCC(F)F)C2)nc1=O	ZINC001194737842	782044346	/nfs/dbraw/zinc/04/43/46/782044346.db2.gz	VDAVQRKGXLWDTB-HTQZYQBOSA-N	-1	1	319.312	-1.185	20	0		DAADMM
Cn1cc(C(=O)NCCCC[P@](=O)([O-])O)c(=O)n(C)c1=O	ZINC001195545155	782071611	/nfs/dbraw/zinc/07/16/11/782071611.db2.gz	LMULIAQXBXKVEO-UHFFFAOYSA-N	-1	1	319.254	-1.228	20	0		DAADMM
CCNC(=O)CC(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001195570648	782073419	/nfs/dbraw/zinc/07/34/19/782073419.db2.gz	MNCXMIKKMCFWCY-UHFFFAOYSA-N	-1	1	324.385	-1.331	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C3(C(N)=O)CC3)C2)nc1=O	ZINC001195775927	782081150	/nfs/dbraw/zinc/08/11/50/782081150.db2.gz	UFACBVIZVTXJMI-HTQZYQBOSA-N	-1	1	324.341	-2.965	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CC(C)(F)F)C2)nc1=O	ZINC001195948098	782087615	/nfs/dbraw/zinc/08/76/15/782087615.db2.gz	CDDWNUDCPRFPSX-HTQZYQBOSA-N	-1	1	319.312	-1.185	20	0		DAADMM
CS(=O)(=O)NC1CN(C(=O)c2c[nH]c(=S)[n-]c2=O)C1	ZINC001196016101	782088021	/nfs/dbraw/zinc/08/80/21/782088021.db2.gz	OKODYWDDVQLOEX-UHFFFAOYSA-N	-1	1	304.353	-1.156	20	0		DAADMM
CCOC(=O)CS(=O)(=O)[N-]c1cc(=O)n(C)c(=O)n1C	ZINC001195992225	782090107	/nfs/dbraw/zinc/09/01/07/782090107.db2.gz	YKHIIOYZBUQWAE-UHFFFAOYSA-N	-1	1	305.312	-1.611	20	0		DAADMM
CS(=O)(=O)N1CC(NC(=O)c2c[nH]c(=S)[n-]c2=O)C1	ZINC001196023217	782090283	/nfs/dbraw/zinc/09/02/83/782090283.db2.gz	GMQZNFOCWQLZIM-UHFFFAOYSA-N	-1	1	304.353	-1.156	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]Cc2ccncn2)c(=O)n(C)c1=O	ZINC000558341866	331897952	/nfs/dbraw/zinc/89/79/52/331897952.db2.gz	CBWPWBMIHWVFSG-UHFFFAOYSA-N	-1	1	311.323	-1.648	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(C)C2=O)co1	ZINC000559277508	332012697	/nfs/dbraw/zinc/01/26/97/332012697.db2.gz	QYKCYKQBFMZEIL-SSDOTTSWSA-N	-1	1	315.307	-1.325	20	0		DAADMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)C(=O)NC	ZINC000048440477	334290106	/nfs/dbraw/zinc/29/01/06/334290106.db2.gz	COOUJMFLOWGYNP-ZCFIWIBFSA-N	-1	1	304.328	-1.001	20	0		DAADMM
COC(=O)[C@@H]([N-]S(=O)(=O)CCCN1CCOCC1)[C@@H](C)O	ZINC000548700058	337815928	/nfs/dbraw/zinc/81/59/28/337815928.db2.gz	ASIZQAWXOBDTMM-MNOVXSKESA-N	-1	1	324.399	-1.450	20	0		DAADMM
CN1CC[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1=O	ZINC000545320884	341121329	/nfs/dbraw/zinc/12/13/29/341121329.db2.gz	YPIRSRKEGAPRJY-SSDOTTSWSA-N	-1	1	316.339	-2.407	20	0		DAADMM
COC(=O)[C@@H](CC(N)=O)[N-]S(=O)(=O)Cc1cccnc1	ZINC001197487113	782134408	/nfs/dbraw/zinc/13/44/08/782134408.db2.gz	HLOUWEDJUQKOIT-SECBINFHSA-N	-1	1	301.324	-1.082	20	0		DAADMM
C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1CCOC1	ZINC000266141364	525513761	/nfs/dbraw/zinc/51/37/61/525513761.db2.gz	CSOHLAIPJCHJOQ-IUCAKERBSA-N	-1	1	317.367	-1.213	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2CCSC2)c(=O)n(C)c1=O	ZINC000266286952	527290740	/nfs/dbraw/zinc/29/07/40/527290740.db2.gz	LBIXZAUDYOSTFZ-SSDOTTSWSA-N	-1	1	305.381	-1.132	20	0		DAADMM
O=C(Cn1cnnn1)N1CCN(C(=O)c2cncc([O-])c2)CC1	ZINC000264859728	527409745	/nfs/dbraw/zinc/40/97/45/527409745.db2.gz	OYVTZVSYHAHFAG-UHFFFAOYSA-N	-1	1	317.309	-1.242	20	0		DAADMM
CCN1CCN(CC(=O)N(C)C[C@@H](C)c2nn[n-]n2)C(=O)C1=O	ZINC000274768907	535650886	/nfs/dbraw/zinc/65/08/86/535650886.db2.gz	LMURKHVPONTVCY-SECBINFHSA-N	-1	1	323.357	-1.548	20	0		DAADMM
Cn1c(=O)c2cc(C(=O)Nc3nn[n-]n3)cnc2n(C)c1=O	ZINC000342853010	545694587	/nfs/dbraw/zinc/69/45/87/545694587.db2.gz	RUGRVLNTAQWWEZ-UHFFFAOYSA-N	-1	1	302.254	-1.602	20	0		DAADMM
C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)O1	ZINC000416539104	545698630	/nfs/dbraw/zinc/69/86/30/545698630.db2.gz	XRVXJDHKGHNTMU-RKDXNWHRSA-N	-1	1	317.367	-1.070	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2[C@@H]3COC[C@@H]32)c(=O)n(C)c1=O	ZINC000330036743	545725362	/nfs/dbraw/zinc/72/53/62/545725362.db2.gz	CSRNWAPEKNRGMR-QMSLJYSESA-N	-1	1	301.324	-1.993	20	0		DAADMM
COC(=O)[C@@H]1C[C@H](O)CN1C(=O)CNC(=O)c1ncccc1[O-]	ZINC000457275634	545784741	/nfs/dbraw/zinc/78/47/41/545784741.db2.gz	WVCKCKQDMKSCJS-IUCAKERBSA-N	-1	1	323.305	-1.348	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC2(CO)CC2)c(=O)n(C)c1=O	ZINC000167183534	545893751	/nfs/dbraw/zinc/89/37/51/545893751.db2.gz	ZZQJIYSXQPSSHN-UHFFFAOYSA-N	-1	1	303.340	-1.865	20	0		DAADMM
O=C(NCc1nn[n-]n1)c1cc(N2CCCNC2=O)ncn1	ZINC001199427266	782177653	/nfs/dbraw/zinc/17/76/53/782177653.db2.gz	CRKNHZMBJKYYTQ-UHFFFAOYSA-N	-1	1	303.286	-1.161	20	0		DAADMM
COC[C@@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1	ZINC000736969984	598853994	/nfs/dbraw/zinc/85/39/94/598853994.db2.gz	ABNRTRAPFPJVGD-MRVPVSSYSA-N	-1	1	321.341	-1.263	20	0		DAADMM
C[C@H](CNS(=O)(=O)N(C)CCC(=O)[O-])N1CCN(C)CC1	ZINC000827501700	601263115	/nfs/dbraw/zinc/26/31/15/601263115.db2.gz	ATNBITHHELCVRQ-LLVKDONJSA-N	-1	1	322.431	-1.137	20	0		DAADMM
C[C@@H](CO)[C@@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736036677	598971705	/nfs/dbraw/zinc/97/17/05/598971705.db2.gz	GDIMOWMZHBPZCI-NKWVEPMBSA-N	-1	1	309.330	-1.307	20	0		DAADMM
C[C@H](CO)[C@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736036679	598971934	/nfs/dbraw/zinc/97/19/34/598971934.db2.gz	GDIMOWMZHBPZCI-RQJHMYQMSA-N	-1	1	309.330	-1.307	20	0		DAADMM
CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1=O	ZINC000736867757	599006074	/nfs/dbraw/zinc/00/60/74/599006074.db2.gz	NLMMBYGWLWUXCX-UHFFFAOYSA-N	-1	1	323.338	-1.276	20	0		DAADMM
CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1=O	ZINC000736867757	599006076	/nfs/dbraw/zinc/00/60/76/599006076.db2.gz	NLMMBYGWLWUXCX-UHFFFAOYSA-N	-1	1	323.338	-1.276	20	0		DAADMM
COCCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000737006999	599019884	/nfs/dbraw/zinc/01/98/84/599019884.db2.gz	PAHAJHRTIJPNSG-UHFFFAOYSA-N	-1	1	305.298	-1.246	20	0		DAADMM
COCCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000737006999	599019886	/nfs/dbraw/zinc/01/98/86/599019886.db2.gz	PAHAJHRTIJPNSG-UHFFFAOYSA-N	-1	1	305.298	-1.246	20	0		DAADMM
C[C@@H](O)CCN(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000820473955	599052642	/nfs/dbraw/zinc/05/26/42/599052642.db2.gz	OOMUAXRFTITYIB-SSDOTTSWSA-N	-1	1	309.330	-1.529	20	0		DAADMM
O=C(OCCN1C(=O)CNC1=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000738219405	599135298	/nfs/dbraw/zinc/13/52/98/599135298.db2.gz	FBOOTKJLQNEFGP-UHFFFAOYSA-N	-1	1	317.265	-1.030	20	0		DAADMM
O=C(OCCN1C(=O)CNC1=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000738219405	599135301	/nfs/dbraw/zinc/13/53/01/599135301.db2.gz	FBOOTKJLQNEFGP-UHFFFAOYSA-N	-1	1	317.265	-1.030	20	0		DAADMM
CS(=O)(=O)NCCOC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000737167423	599136958	/nfs/dbraw/zinc/13/69/58/599136958.db2.gz	AMPNVHRBSHIXBZ-UHFFFAOYSA-N	-1	1	312.311	-1.032	20	0		DAADMM
CS(=O)(=O)NCCOC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000737167423	599136960	/nfs/dbraw/zinc/13/69/60/599136960.db2.gz	AMPNVHRBSHIXBZ-UHFFFAOYSA-N	-1	1	312.311	-1.032	20	0		DAADMM
NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)NCC(=O)[O-])cc21	ZINC000821357478	597460255	/nfs/dbraw/zinc/46/02/55/597460255.db2.gz	UKDCIZFVJZDTGX-UHFFFAOYSA-N	-1	1	305.250	-1.199	20	0		DAADMM
O=C([O-])CNC(=O)CN1CCC[C@@H](C(=O)N2CCOCC2)C1	ZINC000821530520	597767255	/nfs/dbraw/zinc/76/72/55/597767255.db2.gz	HIPBOROEAYFRDE-LLVKDONJSA-N	-1	1	313.354	-1.242	20	0		DAADMM
CN1CCN(C[C@H]2CN(CC(=O)NCC(=O)[O-])CCO2)CC1	ZINC000820626130	597777221	/nfs/dbraw/zinc/77/72/21/597777221.db2.gz	HWRZJTQGLHZSTM-LBPRGKRZSA-N	-1	1	314.386	-1.865	20	0		DAADMM
CN(C)C(=O)CCN1CCN(CC(=O)NCC(=O)[O-])CC1	ZINC000820530664	597789474	/nfs/dbraw/zinc/78/94/74/597789474.db2.gz	ZDVAUGKBLKGUKO-UHFFFAOYSA-N	-1	1	300.359	-1.717	20	0		DAADMM
CS(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1	ZINC000826223440	608393528	/nfs/dbraw/zinc/39/35/28/608393528.db2.gz	MXOWMWAYHSLDCJ-UHFFFAOYSA-N	-1	1	310.343	-1.262	20	0		DAADMM
CS(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1	ZINC000826223440	608393530	/nfs/dbraw/zinc/39/35/30/608393530.db2.gz	MXOWMWAYHSLDCJ-UHFFFAOYSA-N	-1	1	310.343	-1.262	20	0		DAADMM
C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000736230945	598405901	/nfs/dbraw/zinc/40/59/01/598405901.db2.gz	UWAKRHVMTOXLCC-SSDOTTSWSA-N	-1	1	323.338	-1.229	20	0		DAADMM
C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000736230945	598405903	/nfs/dbraw/zinc/40/59/03/598405903.db2.gz	UWAKRHVMTOXLCC-SSDOTTSWSA-N	-1	1	323.338	-1.229	20	0		DAADMM
C[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCCO1	ZINC000736291331	598457405	/nfs/dbraw/zinc/45/74/05/598457405.db2.gz	VOIGEQCBELGVPE-QMMMGPOBSA-N	-1	1	321.341	-1.121	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NCc2cocn2)n(C)c1=O	ZINC000737597645	598469283	/nfs/dbraw/zinc/46/92/83/598469283.db2.gz	TZJNJXQXWLHNNH-UHFFFAOYSA-N	-1	1	304.270	-1.136	20	0		DAADMM
Cn1ccnc1CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000737616929	598673432	/nfs/dbraw/zinc/67/34/32/598673432.db2.gz	WXXVGXWLFMFSSK-UHFFFAOYSA-N	-1	1	317.313	-1.390	20	0		DAADMM
C[C@H](CO)CSc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736037646	599322116	/nfs/dbraw/zinc/32/21/16/599322116.db2.gz	MYXRLMBRDSLHPK-ZCFIWIBFSA-N	-1	1	312.355	-1.015	20	0		DAADMM
CN1CC[C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1=O	ZINC000736857044	599535654	/nfs/dbraw/zinc/53/56/54/599535654.db2.gz	RKPVDHCGOIOOHW-ZCFIWIBFSA-N	-1	1	320.313	-2.093	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2C[C@H]3CC[C@@H](C2)O3)n(C)c1=O	ZINC000822599648	599685852	/nfs/dbraw/zinc/68/58/52/599685852.db2.gz	GQOGSWUHQKYGTM-OCAPTIKFSA-N	-1	1	319.325	-1.368	20	0		DAADMM
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000227123927	600412304	/nfs/dbraw/zinc/41/23/04/600412304.db2.gz	BQNFMKBUXQNDKT-QWRGUYRKSA-N	-1	1	300.359	-1.273	20	0		DAADMM
CN1CCN(C)[C@@H](CNC(=O)N2CCO[C@H](C(=O)[O-])C2)C1	ZINC000227123927	600412306	/nfs/dbraw/zinc/41/23/06/600412306.db2.gz	BQNFMKBUXQNDKT-QWRGUYRKSA-N	-1	1	300.359	-1.273	20	0		DAADMM
CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000068809497	600412382	/nfs/dbraw/zinc/41/23/82/600412382.db2.gz	BQNFMKBUXQNDKT-MNOVXSKESA-N	-1	1	300.359	-1.273	20	0		DAADMM
CN1CCN(C)[C@H](CNC(=O)N2CCO[C@H](C(=O)[O-])C2)C1	ZINC000068809497	600412383	/nfs/dbraw/zinc/41/23/83/600412383.db2.gz	BQNFMKBUXQNDKT-MNOVXSKESA-N	-1	1	300.359	-1.273	20	0		DAADMM
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000225366700	600412385	/nfs/dbraw/zinc/41/23/85/600412385.db2.gz	BQNFMKBUXQNDKT-WDEREUQCSA-N	-1	1	300.359	-1.273	20	0		DAADMM
CN1CCN(C)[C@@H](CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1	ZINC000225366700	600412386	/nfs/dbraw/zinc/41/23/86/600412386.db2.gz	BQNFMKBUXQNDKT-WDEREUQCSA-N	-1	1	300.359	-1.273	20	0		DAADMM
CN(C)CC(=O)N1CCN(S(=O)(=O)CCCC(=O)[O-])CC1	ZINC000037838030	600493451	/nfs/dbraw/zinc/49/34/51/600493451.db2.gz	XJJHSAOVGDUQDF-UHFFFAOYSA-N	-1	1	321.399	-1.113	20	0		DAADMM
C[C@H]1COCCCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000820814911	607469558	/nfs/dbraw/zinc/46/95/58/607469558.db2.gz	ZDKRABZGWILTNU-QMMMGPOBSA-N	-1	1	321.341	-1.121	20	0		DAADMM
C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1	ZINC000827768473	601084664	/nfs/dbraw/zinc/08/46/64/601084664.db2.gz	SHDBXQDQRPKBBT-NXEZZACHSA-N	-1	1	321.399	-1.069	20	0		DAADMM
C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1	ZINC000827768474	601084875	/nfs/dbraw/zinc/08/48/75/601084875.db2.gz	SHDBXQDQRPKBBT-UWVGGRQHSA-N	-1	1	321.399	-1.069	20	0		DAADMM
C[C@H](CC(=O)[O-])N1CCN(C(=O)CCNS(C)(=O)=O)CC1	ZINC000827361772	601101161	/nfs/dbraw/zinc/10/11/61/601101161.db2.gz	FLIOXVXEXWHCAO-SNVBAGLBSA-N	-1	1	321.399	-1.067	20	0		DAADMM
O=C([O-])NCCOCC(=O)N1CCO[C@@H](c2nn[nH]n2)C1	ZINC000740666964	602667091	/nfs/dbraw/zinc/66/70/91/602667091.db2.gz	JKKYKLYXBKJKPE-SSDOTTSWSA-N	-1	1	300.275	-1.616	20	0		DAADMM
O=C([O-])N1CCOC[C@H]1C(=O)N1CCO[C@H](c2nn[nH]n2)C1	ZINC000740347252	602898039	/nfs/dbraw/zinc/89/80/39/602898039.db2.gz	ILQBLUROSOHZPY-YUMQZZPRSA-N	-1	1	312.286	-1.522	20	0		DAADMM
COCCN(CC(=O)NC[C@@H]1CN(C)CCN1C)C(=O)[O-]	ZINC000739817916	603113392	/nfs/dbraw/zinc/11/33/92/603113392.db2.gz	IVERWQWGOHFNIV-LLVKDONJSA-N	-1	1	302.375	-1.025	20	0		DAADMM
NS(=O)(=O)CCN1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1	ZINC000740342987	603408434	/nfs/dbraw/zinc/40/84/34/603408434.db2.gz	RLMYQHAWKZSIPH-SECBINFHSA-N	-1	1	322.387	-1.629	20	0		DAADMM
C[C@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)CCN1CCC(=O)[O-]	ZINC000833619802	605276761	/nfs/dbraw/zinc/27/67/61/605276761.db2.gz	CLMJZUYABHACRB-JTQLQIEISA-N	-1	1	324.337	-1.044	20	0		DAADMM
O=C([O-])NCC(=O)NCC(=O)N1CCO[C@@H](c2nn[nH]n2)C1	ZINC000834194056	605380617	/nfs/dbraw/zinc/38/06/17/605380617.db2.gz	JVCGIPNGEJFUQN-ZCFIWIBFSA-N	-1	1	313.274	-2.517	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N(CCO)CC2CC2)n(C)c1=O	ZINC000822600387	606163525	/nfs/dbraw/zinc/16/35/25/606163525.db2.gz	MWPZYHYPLOCZNM-UHFFFAOYSA-N	-1	1	321.341	-1.527	20	0		DAADMM
CC[C@](C)(CO)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000820853889	606175929	/nfs/dbraw/zinc/17/59/29/606175929.db2.gz	PPVFWBHJVCSMAR-GFCCVEGCSA-N	-1	1	309.330	-1.163	20	0		DAADMM
CC[C@@](C)(CO)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000820853891	606175959	/nfs/dbraw/zinc/17/59/59/606175959.db2.gz	PPVFWBHJVCSMAR-LBPRGKRZSA-N	-1	1	309.330	-1.163	20	0		DAADMM
CN(C[C@H](O)CN1CCOCC1)c1nccnc1-c1nnn[n-]1	ZINC000821595252	606229456	/nfs/dbraw/zinc/22/94/56/606229456.db2.gz	QNDVJQWZKYYCRF-JTQLQIEISA-N	-1	1	320.357	-1.214	20	0		DAADMM
CN(C[C@H](O)CN1CCOCC1)c1nccnc1-c1nn[n-]n1	ZINC000821595252	606229458	/nfs/dbraw/zinc/22/94/58/606229458.db2.gz	QNDVJQWZKYYCRF-JTQLQIEISA-N	-1	1	320.357	-1.214	20	0		DAADMM
CNC(=O)[C@@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000821635025	606429390	/nfs/dbraw/zinc/42/93/90/606429390.db2.gz	HPWVUAAZNUWEAY-RXMQYKEDSA-N	-1	1	308.302	-2.190	20	0		DAADMM
CN(C[C@H]1CCOC1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000821597904	606474526	/nfs/dbraw/zinc/47/45/26/606474526.db2.gz	KZUUTGVKSTYPGN-MRVPVSSYSA-N	-1	1	321.341	-1.263	20	0		DAADMM
CN(C[C@@H]1CCOC1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000821597905	606474551	/nfs/dbraw/zinc/47/45/51/606474551.db2.gz	KZUUTGVKSTYPGN-QMMMGPOBSA-N	-1	1	321.341	-1.263	20	0		DAADMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(C)C(=O)C2)n1	ZINC000821627319	606642754	/nfs/dbraw/zinc/64/27/54/606642754.db2.gz	WXYVVWKAUWFAAH-UHFFFAOYSA-N	-1	1	305.302	-1.094	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(C)C(=O)C2)n1	ZINC000821627319	606642755	/nfs/dbraw/zinc/64/27/55/606642755.db2.gz	WXYVVWKAUWFAAH-UHFFFAOYSA-N	-1	1	305.302	-1.094	20	0		DAADMM
C[C@H](CCCO)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000820241141	606730418	/nfs/dbraw/zinc/73/04/18/606730418.db2.gz	DYWSESIHMKZLNV-SSDOTTSWSA-N	-1	1	309.330	-1.163	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@](C)(CO)C2CC2)n(C)c1=O	ZINC000822600745	606832091	/nfs/dbraw/zinc/83/20/91/606832091.db2.gz	RPMPTXLKWKDFMU-ZDUSSCGKSA-N	-1	1	321.341	-1.163	20	0		DAADMM
C[C@H]1OCCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[C@@H]1C	ZINC000820819181	607029105	/nfs/dbraw/zinc/02/91/05/607029105.db2.gz	GFONBXAHXGSISM-HTQZYQBOSA-N	-1	1	321.341	-1.122	20	0		DAADMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCn2ncnn2)n1	ZINC000822620194	607070421	/nfs/dbraw/zinc/07/04/21/607070421.db2.gz	KZIZWKDWKUVDMI-UHFFFAOYSA-N	-1	1	304.278	-1.592	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCn2ncnn2)n1	ZINC000822620194	607070423	/nfs/dbraw/zinc/07/04/23/607070423.db2.gz	KZIZWKDWKUVDMI-UHFFFAOYSA-N	-1	1	304.278	-1.592	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NC2(CO)CCC2)n(C)c1=O	ZINC000822600067	607131350	/nfs/dbraw/zinc/13/13/50/607131350.db2.gz	JIOWIVMMLPJBBF-UHFFFAOYSA-N	-1	1	307.314	-1.409	20	0		DAADMM
CCCN(CC(=O)OC)C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821087591	607209505	/nfs/dbraw/zinc/20/95/05/607209505.db2.gz	DPIIHBPVALOQDE-UHFFFAOYSA-N	-1	1	308.302	-1.130	20	0		DAADMM
COC(=O)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1	ZINC000821664762	607209692	/nfs/dbraw/zinc/20/96/92/607209692.db2.gz	IIXAAWLXEUWABA-UHFFFAOYSA-N	-1	1	321.301	-1.631	20	0		DAADMM
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000820875831	607211219	/nfs/dbraw/zinc/21/12/19/607211219.db2.gz	GQJDAKCGIHPVLZ-SFYZADRCSA-N	-1	1	321.345	-1.122	20	0		DAADMM
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000820875830	607211273	/nfs/dbraw/zinc/21/12/73/607211273.db2.gz	GQJDAKCGIHPVLZ-JGVFFNPUSA-N	-1	1	321.345	-1.122	20	0		DAADMM
CC[C@H](C)NC(=O)[C@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000820875832	607211496	/nfs/dbraw/zinc/21/14/96/607211496.db2.gz	GQJDAKCGIHPVLZ-YUMQZZPRSA-N	-1	1	321.345	-1.122	20	0		DAADMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(C2CC2)CC1	ZINC000823126011	607211605	/nfs/dbraw/zinc/21/16/05/607211605.db2.gz	FEQZVJHSZIUELG-UHFFFAOYSA-N	-1	1	303.330	-1.235	20	0		DAADMM
CCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CC(=O)NC1=O	ZINC000821155271	607211957	/nfs/dbraw/zinc/21/19/57/607211957.db2.gz	XZDVJJYUVKHRLA-LURJTMIESA-N	-1	1	319.285	-2.278	20	0		DAADMM
CCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CC(=O)NC1=O	ZINC000821155304	607212157	/nfs/dbraw/zinc/21/21/57/607212157.db2.gz	XZDVJJYUVKHRLA-ZCFIWIBFSA-N	-1	1	319.285	-2.278	20	0		DAADMM
CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CCCCNC1=O	ZINC000821572304	607212330	/nfs/dbraw/zinc/21/23/30/607212330.db2.gz	ZEDKNYVWCLJYAN-MRVPVSSYSA-N	-1	1	319.329	-1.415	20	0		DAADMM
C[C@H]1CN(CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)CCO1	ZINC000820760475	607212440	/nfs/dbraw/zinc/21/24/40/607212440.db2.gz	QUTGIUUGAKLMNB-VIFPVBQESA-N	-1	1	321.345	-1.705	20	0		DAADMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC(=O)OCC1CC1	ZINC000823127221	607213157	/nfs/dbraw/zinc/21/31/57/607213157.db2.gz	XEHVZHVZEJOBMU-UHFFFAOYSA-N	-1	1	306.286	-1.472	20	0		DAADMM
CCN1CCO[C@@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1	ZINC000821275491	607217494	/nfs/dbraw/zinc/21/74/94/607217494.db2.gz	ABXBBUQAUNPWGE-VIFPVBQESA-N	-1	1	321.345	-1.705	20	0		DAADMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(C2CC2)C(=O)C1	ZINC000823127111	607221723	/nfs/dbraw/zinc/22/17/23/607221723.db2.gz	UALGBMLCXAIKJH-UHFFFAOYSA-N	-1	1	317.313	-1.709	20	0		DAADMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CC(=O)N(C2CC2)C1	ZINC000823126067	607221901	/nfs/dbraw/zinc/22/19/01/607221901.db2.gz	GXJHIXDTCBQMSJ-SSDOTTSWSA-N	-1	1	317.313	-1.662	20	0		DAADMM
COC(=O)[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@H]1C	ZINC000821655631	607223063	/nfs/dbraw/zinc/22/30/63/607223063.db2.gz	ONXUTRQSDKYXTK-HTQZYQBOSA-N	-1	1	320.313	-1.274	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2CC(C(F)F)C2)n(C)c1=O	ZINC000822600591	607225717	/nfs/dbraw/zinc/22/57/17/607225717.db2.gz	OAUSKNZAEQRWOD-UHFFFAOYSA-N	-1	1	313.268	-1.035	20	0		DAADMM
COC(=O)[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(C)C	ZINC000821641165	607235644	/nfs/dbraw/zinc/23/56/44/607235644.db2.gz	XGABDRLXEPSJGH-QMMMGPOBSA-N	-1	1	308.302	-1.228	20	0		DAADMM
COCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1	ZINC000826148121	607989173	/nfs/dbraw/zinc/98/91/73/607989173.db2.gz	ZSIMOMFJWSJLCN-UHFFFAOYSA-N	-1	1	304.314	-1.048	20	0		DAADMM
COCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1	ZINC000826148121	607989174	/nfs/dbraw/zinc/98/91/74/607989174.db2.gz	ZSIMOMFJWSJLCN-UHFFFAOYSA-N	-1	1	304.314	-1.048	20	0		DAADMM
CCn1ccnc1Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O	ZINC000825804907	608095491	/nfs/dbraw/zinc/09/54/91/608095491.db2.gz	KBPAAHUQDQCDSH-UHFFFAOYSA-N	-1	1	302.298	-1.008	20	0		DAADMM
Cn1cc(C(=O)Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)cn1	ZINC000826358187	608096188	/nfs/dbraw/zinc/09/61/88/608096188.db2.gz	JQCRBXDMPPEZKB-UHFFFAOYSA-N	-1	1	316.281	-1.657	20	0		DAADMM
C[C@H](O)C(C)(C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000824678042	608098570	/nfs/dbraw/zinc/09/85/70/608098570.db2.gz	KDMJEYFVCPQFJN-LURJTMIESA-N	-1	1	309.330	-1.165	20	0		DAADMM
C[C@@H]1OCC[C@@H]1Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000825021047	608148048	/nfs/dbraw/zinc/14/80/48/608148048.db2.gz	OJUHOKJLHXGLEP-BQBZGAKWSA-N	-1	1	307.314	-1.147	20	0		DAADMM
CCC[C@@H]1C(=O)NCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000825248337	608250348	/nfs/dbraw/zinc/25/03/48/608250348.db2.gz	RKEDIGCSZQEMQF-MRVPVSSYSA-N	-1	1	319.329	-1.415	20	0		DAADMM
Cc1nnc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)s1	ZINC000826336469	608292349	/nfs/dbraw/zinc/29/23/49/608292349.db2.gz	ZNOXZIAUGALPTF-UHFFFAOYSA-N	-1	1	306.311	-1.065	20	0		DAADMM
CCNC(=O)CN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1	ZINC000825470956	608394686	/nfs/dbraw/zinc/39/46/86/608394686.db2.gz	KJBOAPVYPMKBPA-UHFFFAOYSA-N	-1	1	317.357	-1.085	20	0		DAADMM
CCNC(=O)CN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1	ZINC000825470956	608394688	/nfs/dbraw/zinc/39/46/88/608394688.db2.gz	KJBOAPVYPMKBPA-UHFFFAOYSA-N	-1	1	317.357	-1.085	20	0		DAADMM
C[C@H]1CCOCCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000824969427	608416650	/nfs/dbraw/zinc/41/66/50/608416650.db2.gz	UKEAGTJEBAYGOF-QMMMGPOBSA-N	-1	1	321.341	-1.121	20	0		DAADMM
O=C(CO)N1CCN(Cc2ccnc(-c3nnn[n-]3)c2)CC1	ZINC000826414987	608455809	/nfs/dbraw/zinc/45/58/09/608455809.db2.gz	NSNIMIVMVJMBKR-UHFFFAOYSA-N	-1	1	303.326	-1.102	20	0		DAADMM
O=C(CO)N1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1	ZINC000826414987	608455811	/nfs/dbraw/zinc/45/58/11/608455811.db2.gz	NSNIMIVMVJMBKR-UHFFFAOYSA-N	-1	1	303.326	-1.102	20	0		DAADMM
CN(Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O)S(C)(=O)=O	ZINC000825999167	608544050	/nfs/dbraw/zinc/54/40/50/608544050.db2.gz	OVHPUSFSQVZKCN-UHFFFAOYSA-N	-1	1	315.315	-2.424	20	0		DAADMM
CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1(C(N)=O)CCCC1	ZINC000825820736	609390965	/nfs/dbraw/zinc/39/09/65/609390965.db2.gz	QRIYYYAHNSISJB-UHFFFAOYSA-N	-1	1	319.329	-1.285	20	0		DAADMM
Cc1onc(CC(=O)N[C@@H]2CN(C)NC2=O)c1-c1nnn[n-]1	ZINC000826346477	609470946	/nfs/dbraw/zinc/47/09/46/609470946.db2.gz	NQEZGTKLVKEYPZ-SSDOTTSWSA-N	-1	1	306.286	-1.833	20	0		DAADMM
Cc1onc(CC(=O)N[C@@H]2CN(C)NC2=O)c1-c1nn[n-]n1	ZINC000826346477	609470948	/nfs/dbraw/zinc/47/09/48/609470948.db2.gz	NQEZGTKLVKEYPZ-SSDOTTSWSA-N	-1	1	306.286	-1.833	20	0		DAADMM
CNC(=O)[C@H](C)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)OC	ZINC000751026867	663802619	/nfs/dbraw/zinc/80/26/19/663802619.db2.gz	BCTDBIVRVXFGIM-LURJTMIESA-N	-1	1	304.328	-1.082	20	0		DAADMM
CNC(=O)[C@@H](O)C[N-]S(=O)(=O)c1cc(C(=O)OC)co1	ZINC000757725665	663806540	/nfs/dbraw/zinc/80/65/40/663806540.db2.gz	KKYDGZYXIBSIBG-ZETCQYMHSA-N	-1	1	306.296	-1.549	20	0		DAADMM
CNC(=O)[C@H](O)C[N-]S(=O)(=O)c1ccc(C(=O)OC)o1	ZINC000757723209	663806659	/nfs/dbraw/zinc/80/66/59/663806659.db2.gz	BBXDHTGPMRKOTI-ZCFIWIBFSA-N	-1	1	306.296	-1.549	20	0		DAADMM
O=S(=O)([N-]C[C@@H](O)Cn1ccnn1)c1c[nH]nc1Cl	ZINC000849399527	663893921	/nfs/dbraw/zinc/89/39/21/663893921.db2.gz	MJBANWGTPHPNQY-ZCFIWIBFSA-N	-1	1	306.735	-1.006	20	0		DAADMM
C[C@@H](NC(=O)[C@H]1CCC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000969410678	662314606	/nfs/dbraw/zinc/31/46/06/662314606.db2.gz	SVXHDRAFBQXPJK-PSASIEDQSA-N	-1	1	322.369	-1.677	20	0		DAADMM
O=C(CN1CCNC(=O)C1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000969573669	662322871	/nfs/dbraw/zinc/32/28/71/662322871.db2.gz	PEEKDDJYDXFCDT-SECBINFHSA-N	-1	1	323.357	-2.367	20	0		DAADMM
C[C@H](NC(=O)[C@@H]1COC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000969593903	662323276	/nfs/dbraw/zinc/32/32/76/662323276.db2.gz	JDXDLPWRHYBDFQ-CBAPKCEASA-N	-1	1	324.341	-1.847	20	0		DAADMM
CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000969626481	662324310	/nfs/dbraw/zinc/32/43/10/662324310.db2.gz	UXCMLSNIMNNNGP-BDAKNGLRSA-N	-1	1	308.342	-1.178	20	0		DAADMM
NC(=O)c1ccc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)[nH]1	ZINC000969981955	662335908	/nfs/dbraw/zinc/33/59/08/662335908.db2.gz	JEGJXNWVYKITOQ-SSDOTTSWSA-N	-1	1	319.325	-1.058	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@@H]2COCCN2C)nc1=O	ZINC001038177464	662343985	/nfs/dbraw/zinc/34/39/85/662343985.db2.gz	KTLKNNHESXMQFF-MNOVXSKESA-N	-1	1	324.385	-1.871	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@H]2COCCN2C)nc1=O	ZINC001038177462	662344229	/nfs/dbraw/zinc/34/42/29/662344229.db2.gz	KTLKNNHESXMQFF-GHMZBOCLSA-N	-1	1	324.385	-1.871	20	0		DAADMM
Cc1nn[nH]c1C(=O)N[C@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000970255795	662354842	/nfs/dbraw/zinc/35/48/42/662354842.db2.gz	ITAFSVHTRALXQZ-SSDOTTSWSA-N	-1	1	320.357	-1.215	20	0		DAADMM
O=C(CCn1cnnn1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000970326255	662358123	/nfs/dbraw/zinc/35/81/23/662358123.db2.gz	YGCUNORTOFUSFV-MRVPVSSYSA-N	-1	1	307.318	-1.722	20	0		DAADMM
C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000970355543	662359557	/nfs/dbraw/zinc/35/95/57/662359557.db2.gz	ZICMTKGRKATAFU-IONNQARKSA-N	-1	1	323.357	-2.274	20	0		DAADMM
Cn1ccc(CN[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1	ZINC000970581610	662365200	/nfs/dbraw/zinc/36/52/00/662365200.db2.gz	NXQBNUINTRGESU-SNVBAGLBSA-N	-1	1	321.341	-1.187	20	0		DAADMM
C[C@H](NC(=O)c1cnon1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000970618206	662366285	/nfs/dbraw/zinc/36/62/85/662366285.db2.gz	HNUUYVRQIDVBBM-ZETCQYMHSA-N	-1	1	307.314	-1.258	20	0		DAADMM
C[C@@H](C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)N1CCOCC1	ZINC000970887791	662374109	/nfs/dbraw/zinc/37/41/09/662374109.db2.gz	NQOXKJGEAJXCFN-WDEREUQCSA-N	-1	1	324.385	-1.079	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)c2cc(=O)n(C)o2)nc1=O	ZINC001038199711	662375221	/nfs/dbraw/zinc/37/52/21/662375221.db2.gz	WTXIIFRBTXYNRL-QMMMGPOBSA-N	-1	1	322.325	-1.596	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@H]2CN(C)CCO2)nc1=O	ZINC001038137509	662382920	/nfs/dbraw/zinc/38/29/20/662382920.db2.gz	PEMAOPUYHPVMGW-GHMZBOCLSA-N	-1	1	324.385	-1.871	20	0		DAADMM
C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[n-]2)C1)n1cncn1	ZINC001021984280	662384029	/nfs/dbraw/zinc/38/40/29/662384029.db2.gz	QSUMJSGTRYELFK-BBBLOLIVSA-N	-1	1	320.357	-1.302	20	0		DAADMM
O=C(N[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C1)C1CS(=O)(=O)C1	ZINC001022133461	662387087	/nfs/dbraw/zinc/38/70/87/662387087.db2.gz	CCNCSQVKTNZKPH-OCAPTIKFSA-N	-1	1	315.355	-1.708	20	0		DAADMM
Cn1cc(C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)nn1	ZINC001038217096	662387299	/nfs/dbraw/zinc/38/72/99/662387299.db2.gz	YIAICIRRLBJAIQ-QMMMGPOBSA-N	-1	1	306.330	-1.759	20	0		DAADMM
Cn1cnc(C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)n1	ZINC001038220428	662389045	/nfs/dbraw/zinc/38/90/45/662389045.db2.gz	MKGJUZKGLJYFPY-QMMMGPOBSA-N	-1	1	306.330	-1.759	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)nc1=O	ZINC001038222354	662389769	/nfs/dbraw/zinc/38/97/69/662389769.db2.gz	PPOASGVSGFTEAD-HTQZYQBOSA-N	-1	1	310.314	-2.093	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)c2cn[nH]n2)C1	ZINC000971847867	662392335	/nfs/dbraw/zinc/39/23/35/662392335.db2.gz	OCDVQYDAOOPDSD-QMMMGPOBSA-N	-1	1	306.330	-1.427	20	0		DAADMM
C[C@H](C(N)=O)N(C)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000971866329	662392884	/nfs/dbraw/zinc/39/28/84/662392884.db2.gz	CFZGRMIKNDBJRJ-RQJHMYQMSA-N	-1	1	310.314	-1.697	20	0		DAADMM
C[C@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000971866328	662393071	/nfs/dbraw/zinc/39/30/71/662393071.db2.gz	CFZGRMIKNDBJRJ-RNFRBKRXSA-N	-1	1	310.314	-1.697	20	0		DAADMM
NC(=O)C(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1	ZINC000971900446	662394091	/nfs/dbraw/zinc/39/40/91/662394091.db2.gz	VCXNEDNQKGOBQJ-RKDXNWHRSA-N	-1	1	304.306	-1.055	20	0		DAADMM
CCn1nncc1C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001038235076	662397971	/nfs/dbraw/zinc/39/79/71/662397971.db2.gz	MQYHEXUMRXNJCO-VIFPVBQESA-N	-1	1	320.357	-1.276	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1	ZINC000972080739	662400102	/nfs/dbraw/zinc/40/01/02/662400102.db2.gz	VZEZQEIHBLCPSU-ZJUUUORDSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C	ZINC000947505441	662406429	/nfs/dbraw/zinc/40/64/29/662406429.db2.gz	BIHIHAOTNLMZST-JGVFFNPUSA-N	-1	1	324.341	-1.389	20	0		DAADMM
CNC(=O)CN1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C	ZINC000947505441	662406433	/nfs/dbraw/zinc/40/64/33/662406433.db2.gz	BIHIHAOTNLMZST-JGVFFNPUSA-N	-1	1	324.341	-1.389	20	0		DAADMM
CN1C[C@H](C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)NC1=O	ZINC000949660203	662407619	/nfs/dbraw/zinc/40/76/19/662407619.db2.gz	XATTYUVCXAHKOJ-SECBINFHSA-N	-1	1	323.357	-2.224	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)c2cc[n+]([O-])cc2)nc1=O	ZINC001038042765	662418722	/nfs/dbraw/zinc/41/87/22/662418722.db2.gz	KBPRPOOFCADLLS-LLVKDONJSA-N	-1	1	318.337	-1.254	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)c2cnn(C)n2)C1	ZINC000972545194	662445157	/nfs/dbraw/zinc/44/51/57/662445157.db2.gz	ROYCNFXGGGQCTE-VIFPVBQESA-N	-1	1	320.357	-1.417	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@]23C[C@H]2COC3)nc1=O	ZINC001038272730	662447404	/nfs/dbraw/zinc/44/74/04/662447404.db2.gz	VZQZMIMXCQTWGR-BHDSKKPTSA-N	-1	1	307.354	-1.165	20	0		DAADMM
C[C@@H](C(N)=O)N1CCC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001023468145	662449050	/nfs/dbraw/zinc/44/90/50/662449050.db2.gz	KKDSWKLWLVPDCR-YUMQZZPRSA-N	-1	1	324.341	-1.402	20	0		DAADMM
NC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001023488569	662449814	/nfs/dbraw/zinc/44/98/14/662449814.db2.gz	NWTXXHQNLGUTPE-VXNVDRBHSA-N	-1	1	308.294	-2.036	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)nc1=O	ZINC000949813244	662474429	/nfs/dbraw/zinc/47/44/29/662474429.db2.gz	DPDRDBMRFDZHDY-SNVBAGLBSA-N	-1	1	322.369	-1.627	20	0		DAADMM
O=C([C@H]1CNC(=O)N1)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001025060801	662493458	/nfs/dbraw/zinc/49/34/58/662493458.db2.gz	NRJMXLRLFVXGTC-RKDXNWHRSA-N	-1	1	323.357	-1.338	20	0		DAADMM
O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)c1nnc[nH]1	ZINC001025107670	662496981	/nfs/dbraw/zinc/49/69/81/662496981.db2.gz	MFPFLDHZZWQLGV-VXNVDRBHSA-N	-1	1	318.293	-1.479	20	0		DAADMM
O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)c1cnon1	ZINC001025235677	662504586	/nfs/dbraw/zinc/50/45/86/662504586.db2.gz	KWZHTIKGHQRSJH-PSASIEDQSA-N	-1	1	319.277	-1.215	20	0		DAADMM
C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CCCN(CC(N)=O)C1	ZINC001025474902	662521900	/nfs/dbraw/zinc/52/19/00/662521900.db2.gz	PMLHPOOGTNCLFO-YUMQZZPRSA-N	-1	1	324.341	-1.402	20	0		DAADMM
O=C(Cn1cnnn1)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1	ZINC000973856735	662543910	/nfs/dbraw/zinc/54/39/10/662543910.db2.gz	AJLHEAQUSSFSBX-DTORHVGOSA-N	-1	1	317.309	-1.149	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@H]2CCCNC2=O)nc1=O	ZINC001038361917	662547520	/nfs/dbraw/zinc/54/75/20/662547520.db2.gz	SEQUBOPSRUATHU-ZJUUUORDSA-N	-1	1	322.369	-1.675	20	0		DAADMM
O=C(N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)[C@@H]1CNC(=O)N1	ZINC000974055695	662548477	/nfs/dbraw/zinc/54/84/77/662548477.db2.gz	DTUMSCKVLSJLDM-YIZRAAEISA-N	-1	1	319.321	-1.154	20	0		DAADMM
O=C(Cn1ncnn1)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1	ZINC000974056044	662548641	/nfs/dbraw/zinc/54/86/41/662548641.db2.gz	DRILYWFVIHUGHR-DTORHVGOSA-N	-1	1	317.309	-1.149	20	0		DAADMM
NC(=O)C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000974324471	662557759	/nfs/dbraw/zinc/55/77/59/662557759.db2.gz	FEYVDHJJDRPXEP-OLQVQODUSA-N	-1	1	319.281	-2.720	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)nc1=O	ZINC000949953539	662559807	/nfs/dbraw/zinc/55/98/07/662559807.db2.gz	NQFIESZOONLRIW-QMMMGPOBSA-N	-1	1	309.330	-2.566	20	0		DAADMM
O=C(c1n[nH]c(=O)[n-]c1=O)N1CC[C@H](CNCc2cnon2)C1	ZINC001026940223	662566769	/nfs/dbraw/zinc/56/67/69/662566769.db2.gz	CSUBWWRXYHXXRQ-SSDOTTSWSA-N	-1	1	321.297	-1.082	20	0		DAADMM
CC(=O)N[C@@H]1[C@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@H]21	ZINC000976011076	662577229	/nfs/dbraw/zinc/57/72/29/662577229.db2.gz	SRXILWQKIAYVQL-IAZYJMLFSA-N	-1	1	306.322	-1.480	20	0		DAADMM
C[C@@H](C(N)=O)N(C)[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001027479257	662600233	/nfs/dbraw/zinc/60/02/33/662600233.db2.gz	BODVISWZEUBXEQ-JGVFFNPUSA-N	-1	1	324.341	-1.307	20	0		DAADMM
NC(=O)CN1C[C@@H]2[C@@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1	ZINC000978415679	662613517	/nfs/dbraw/zinc/61/35/17/662613517.db2.gz	QSPBBZFHQBXGRW-POBXSPIYSA-N	-1	1	308.298	-2.324	20	0		DAADMM
C[C@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1	ZINC000978413388	662613543	/nfs/dbraw/zinc/61/35/43/662613543.db2.gz	MUOABCNVHNDJNY-XUTVFYLZSA-N	-1	1	322.325	-1.936	20	0		DAADMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)CC(N)=O)CCO1	ZINC000979236547	662622281	/nfs/dbraw/zinc/62/22/81/662622281.db2.gz	MRAJYQSAGDOXSX-HTQZYQBOSA-N	-1	1	312.330	-1.909	20	0		DAADMM
CCN(C(=O)c1cn(C)nn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000950016172	662622321	/nfs/dbraw/zinc/62/23/21/662622321.db2.gz	CFHGXBBWDLLZFG-UHFFFAOYSA-N	-1	1	320.357	-1.417	20	0		DAADMM
C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)CC(N)=O)CCO1	ZINC000979236565	662622388	/nfs/dbraw/zinc/62/23/88/662622388.db2.gz	MRAJYQSAGDOXSX-JGVFFNPUSA-N	-1	1	312.330	-1.909	20	0		DAADMM
C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)CC(N)=O)CCO1	ZINC000979236570	662622502	/nfs/dbraw/zinc/62/25/02/662622502.db2.gz	MRAJYQSAGDOXSX-YUMQZZPRSA-N	-1	1	312.330	-1.909	20	0		DAADMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)c2nc[nH]n2)CCO1	ZINC000979392673	662624389	/nfs/dbraw/zinc/62/43/89/662624389.db2.gz	FPVCQVJZHRRQFD-HTQZYQBOSA-N	-1	1	322.329	-1.352	20	0		DAADMM
C[C@@H](C(N)=O)N(C)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC000980274601	662635151	/nfs/dbraw/zinc/63/51/51/662635151.db2.gz	HWIHYXSDMIEJHG-YUMQZZPRSA-N	-1	1	312.330	-1.904	20	0		DAADMM
Cn1[n-]c(CN2CCCN(C(=O)[C@H]3CCC(=O)N3)CC2)nc1=O	ZINC000980838380	662639348	/nfs/dbraw/zinc/63/93/48/662639348.db2.gz	PAQIGGNWVHEQTQ-SNVBAGLBSA-N	-1	1	322.369	-1.579	20	0		DAADMM
CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001027999841	662640055	/nfs/dbraw/zinc/64/00/55/662640055.db2.gz	QZIMHLRHPLTMGZ-SFYZADRCSA-N	-1	1	324.341	-1.259	20	0		DAADMM
CC[C@@H](C(N)=O)N1CCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001027999841	662640056	/nfs/dbraw/zinc/64/00/56/662640056.db2.gz	QZIMHLRHPLTMGZ-SFYZADRCSA-N	-1	1	324.341	-1.259	20	0		DAADMM
Cn1[n-]c(CN2CCCN(C(=O)Cn3ncnn3)CC2)nc1=O	ZINC000981171773	662642206	/nfs/dbraw/zinc/64/22/06/662642206.db2.gz	QGGNQGVQKFZGEE-UHFFFAOYSA-N	-1	1	321.345	-2.171	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)[C@@H]2CCNC2=O)nc1=O	ZINC001028071843	662643269	/nfs/dbraw/zinc/64/32/69/662643269.db2.gz	GKCJONGDPRJHRV-NXEZZACHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CCCN(C(=O)Cn3nccn3)CC2)nc1=O	ZINC000981249740	662643418	/nfs/dbraw/zinc/64/34/18/662643418.db2.gz	ZYCNEANCNAKJTA-UHFFFAOYSA-N	-1	1	320.357	-1.566	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)nc1=O	ZINC001028109144	662645704	/nfs/dbraw/zinc/64/57/04/662645704.db2.gz	DRXNTTNHORUBQL-IUCAKERBSA-N	-1	1	323.357	-2.130	20	0		DAADMM
Cc1nonc1C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC000957912354	662651794	/nfs/dbraw/zinc/65/17/94/662651794.db2.gz	HSQWUGMGJIRDJO-UHFFFAOYSA-N	-1	1	307.314	-1.242	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(C(=O)c2ccn[nH]2)CC1	ZINC001010414946	662657210	/nfs/dbraw/zinc/65/72/10/662657210.db2.gz	VJKQPMIOZJGXJN-UHFFFAOYSA-N	-1	1	321.297	-1.603	20	0		DAADMM
Cn1[n-]c(CN2C[C@]3(C)CN(C(=O)C(N)=O)C[C@]3(C)C2)nc1=O	ZINC000982503339	662671490	/nfs/dbraw/zinc/67/14/90/662671490.db2.gz	MOCOAHDTQWCDJM-OKILXGFUSA-N	-1	1	322.369	-1.736	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCCN1CCOCC1	ZINC000726869885	662681027	/nfs/dbraw/zinc/68/10/27/662681027.db2.gz	WVQVWPLGCVXTDX-UHFFFAOYSA-N	-1	1	310.354	-1.235	20	0		DAADMM
CNC(=O)[C@@H](C)N1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001028662509	662683586	/nfs/dbraw/zinc/68/35/86/662683586.db2.gz	YLINMSVXHAYDSP-SFYZADRCSA-N	-1	1	324.341	-1.531	20	0		DAADMM
Cn1nnc(C(=O)NC[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001028744587	662689847	/nfs/dbraw/zinc/68/98/47/662689847.db2.gz	OPCVZBSUAXIIHM-QMMMGPOBSA-N	-1	1	321.345	-2.116	20	0		DAADMM
NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001028853407	662692693	/nfs/dbraw/zinc/69/26/93/662692693.db2.gz	MLVAAPBQEMYYPI-VIFPVBQESA-N	-1	1	318.337	-1.440	20	0		DAADMM
NC(=O)CN1CC[C@@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001028853407	662692694	/nfs/dbraw/zinc/69/26/94/662692694.db2.gz	MLVAAPBQEMYYPI-VIFPVBQESA-N	-1	1	318.337	-1.440	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)nc1=O	ZINC001028936546	662693967	/nfs/dbraw/zinc/69/39/67/662693967.db2.gz	ZYPJWGVOCAVIMI-UWVGGRQHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
CO[N-]C(=O)CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000896703015	662707853	/nfs/dbraw/zinc/70/78/53/662707853.db2.gz	SLOPKMXHVYLBSB-QWRGUYRKSA-N	-1	1	300.359	-1.095	20	0		DAADMM
COC(=O)[C@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)CCO1	ZINC000728610503	662710464	/nfs/dbraw/zinc/71/04/64/662710464.db2.gz	YSIGCQYYTWWMGL-SECBINFHSA-N	-1	1	311.294	-1.673	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)c2nnn(C)n2)C1	ZINC001029805504	662712212	/nfs/dbraw/zinc/71/22/12/662712212.db2.gz	ACFIHPFWBPATCE-QMMMGPOBSA-N	-1	1	321.345	-1.372	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1	ZINC000985607813	662713209	/nfs/dbraw/zinc/71/32/09/662713209.db2.gz	KDYXSEBMLMLHEU-VIFPVBQESA-N	-1	1	323.357	-1.386	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CS(C)(=O)=O	ZINC000986041887	662715357	/nfs/dbraw/zinc/71/53/57/662715357.db2.gz	MYDHCFXLOAMINW-YUMQZZPRSA-N	-1	1	317.371	-1.366	20	0		DAADMM
C[C@@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CN1CCOCC1	ZINC000986172576	662715780	/nfs/dbraw/zinc/71/57/80/662715780.db2.gz	FTRMTQMXBZJNNV-MNOVXSKESA-N	-1	1	324.385	-1.079	20	0		DAADMM
C[C@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CN1CCOCC1	ZINC000986172578	662715868	/nfs/dbraw/zinc/71/58/68/662715868.db2.gz	FTRMTQMXBZJNNV-WDEREUQCSA-N	-1	1	324.385	-1.079	20	0		DAADMM
C[C@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)Cn1ncnn1	ZINC000986285236	662716853	/nfs/dbraw/zinc/71/68/53/662716853.db2.gz	DMTMLSBKMUWJDP-JGVFFNPUSA-N	-1	1	307.318	-1.724	20	0		DAADMM
C[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CN1CN=NC1=O	ZINC000988665208	662730466	/nfs/dbraw/zinc/73/04/66/662730466.db2.gz	FPGHDNJWQNCMRG-SFYZADRCSA-N	-1	1	322.329	-1.413	20	0		DAADMM
C[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)Cn1ncnn1	ZINC000988838971	662739533	/nfs/dbraw/zinc/73/95/33/662739533.db2.gz	QEDWYCDVVMPWKZ-SFYZADRCSA-N	-1	1	307.318	-1.724	20	0		DAADMM
C[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)c1nnn(C)n1	ZINC000989305931	662742730	/nfs/dbraw/zinc/74/27/30/662742730.db2.gz	DSTVTJKWZGCDNX-BQBZGAKWSA-N	-1	1	307.318	-1.573	20	0		DAADMM
C[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)c1c[nH]c(=O)cn1	ZINC000989373053	662743988	/nfs/dbraw/zinc/74/39/88/662743988.db2.gz	BDKPRKZYFVVSEQ-SFYZADRCSA-N	-1	1	319.325	-1.014	20	0		DAADMM
NC(=O)CN1CCCN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC000989478520	662747564	/nfs/dbraw/zinc/74/75/64/662747564.db2.gz	YKFRXZBNCOPVJM-UHFFFAOYSA-N	-1	1	319.325	-1.949	20	0		DAADMM
Cn1[n-]c(CN2CCCN(C(=O)[C@@H]3CCC(=O)N3)CC2)nc1=O	ZINC000989516958	662748038	/nfs/dbraw/zinc/74/80/38/662748038.db2.gz	PAQIGGNWVHEQTQ-JTQLQIEISA-N	-1	1	322.369	-1.579	20	0		DAADMM
C[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CCn1cnnn1	ZINC000989600784	662749181	/nfs/dbraw/zinc/74/91/81/662749181.db2.gz	MPWZGKBUMHJZLS-DTWKUNHWSA-N	-1	1	321.345	-1.334	20	0		DAADMM
C[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)Cc1nnc[nH]1	ZINC000989656564	662750446	/nfs/dbraw/zinc/75/04/46/662750446.db2.gz	HEQSASRRFOWZQJ-YUMQZZPRSA-N	-1	1	306.330	-1.050	20	0		DAADMM
C[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)Cn1cncn1	ZINC000989761873	662750939	/nfs/dbraw/zinc/75/09/39/662750939.db2.gz	AYERCWCHLOKTKR-DTWKUNHWSA-N	-1	1	306.330	-1.119	20	0		DAADMM
O=C(NC1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1)C(F)F	ZINC000990023278	662752367	/nfs/dbraw/zinc/75/23/67/662752367.db2.gz	SKEOGSQHMPHZTD-UHFFFAOYSA-N	-1	1	312.236	-1.377	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@H]2CCC(=O)N2)nc1=O	ZINC001038119257	662770870	/nfs/dbraw/zinc/77/08/70/662770870.db2.gz	IJPOGNUSNWXXSD-RKDXNWHRSA-N	-1	1	308.342	-1.923	20	0		DAADMM
O=C(CN1CN=NC1=O)NC1CN(C(=O)c2ncccc2[O-])C1	ZINC000990940606	662785659	/nfs/dbraw/zinc/78/56/59/662785659.db2.gz	ZXLHCULPMILCGM-UHFFFAOYSA-N	-1	1	318.293	-1.275	20	0		DAADMM
O=C(Cn1cnnn1)N1CC(NC(=O)c2ncccc2[O-])C1	ZINC000990970642	662787964	/nfs/dbraw/zinc/78/79/64/662787964.db2.gz	XDRRGWNFRLVARL-UHFFFAOYSA-N	-1	1	303.282	-1.586	20	0		DAADMM
O=C(CN1CN=NC1=O)N1CC(NC(=O)c2ncccc2[O-])C1	ZINC000990970771	662788220	/nfs/dbraw/zinc/78/82/20/662788220.db2.gz	ZDKPCGHWCUFKNN-UHFFFAOYSA-N	-1	1	318.293	-1.275	20	0		DAADMM
CCN1CCN(CC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	ZINC000902775946	662789785	/nfs/dbraw/zinc/78/97/85/662789785.db2.gz	GMPULBRMYBSIQT-UHFFFAOYSA-N	-1	1	312.370	-1.621	20	0		DAADMM
O=C(NC1CN(C(=O)c2ncccc2[O-])C1)[C@H]1COC(=O)N1	ZINC000991109109	662800297	/nfs/dbraw/zinc/80/02/97/662800297.db2.gz	DMGIQTAOLHSXNE-MRVPVSSYSA-N	-1	1	306.278	-1.164	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1C(=O)NCC1(C)C	ZINC000912553074	663153607	/nfs/dbraw/zinc/15/36/07/663153607.db2.gz	HLUCDYSWHFGFRI-SSDOTTSWSA-N	-1	1	316.339	-1.001	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1C(=O)NCC1(C)C	ZINC000912553075	663153930	/nfs/dbraw/zinc/15/39/30/663153930.db2.gz	HLUCDYSWHFGFRI-ZETCQYMHSA-N	-1	1	316.339	-1.001	20	0		DAADMM
O=C(C1CN([C@H]2CCOC2)C1)N1CCOC[C@H]1c1nnn[n-]1	ZINC000913499045	663157829	/nfs/dbraw/zinc/15/78/29/663157829.db2.gz	LFSBOKRKKCIHQB-QWRGUYRKSA-N	-1	1	308.342	-1.180	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@@H]2COCCO2)nc1=O	ZINC001038056892	663159307	/nfs/dbraw/zinc/15/93/07/663159307.db2.gz	DWVNMPKXKHIXGU-ZJUUUORDSA-N	-1	1	311.342	-1.786	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3cc[n+]([O-])cc3)C2)nc1=O	ZINC001030072824	663163058	/nfs/dbraw/zinc/16/30/58/663163058.db2.gz	BWGGWVNJJZGMNY-UHFFFAOYSA-N	-1	1	304.310	-1.644	20	0		DAADMM
Cc1cnc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC001030068677	663163256	/nfs/dbraw/zinc/16/32/56/663163256.db2.gz	USCCBCHVBWDYBI-UHFFFAOYSA-N	-1	1	303.326	-1.179	20	0		DAADMM
Cc1c(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)cnn1C	ZINC001030109721	663165274	/nfs/dbraw/zinc/16/52/74/663165274.db2.gz	ZGTCYCBLLKIWSH-UHFFFAOYSA-N	-1	1	305.342	-1.235	20	0		DAADMM
COC(=O)[C@@H]1C[C@H]1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001030154144	663166940	/nfs/dbraw/zinc/16/69/40/663166940.db2.gz	FYGLAZIYQYAKHD-RKDXNWHRSA-N	-1	1	309.326	-1.782	20	0		DAADMM
Cc1cc(CC(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)no1	ZINC001030166143	663168351	/nfs/dbraw/zinc/16/83/51/663168351.db2.gz	GQJHDQIFKOMKBC-UHFFFAOYSA-N	-1	1	306.326	-1.052	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3cccc(=O)[nH]3)C2)nc1=O	ZINC001030182932	663169746	/nfs/dbraw/zinc/16/97/46/663169746.db2.gz	KNSFFYULOHTUAA-UHFFFAOYSA-N	-1	1	304.310	-1.177	20	0		DAADMM
Cc1cc(CC(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)n[nH]1	ZINC001030208815	663171080	/nfs/dbraw/zinc/17/10/80/663171080.db2.gz	OFJYCGIPMAQYDI-UHFFFAOYSA-N	-1	1	305.342	-1.317	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CN3CCOCC3)C2)nc1=O	ZINC001030226659	663171526	/nfs/dbraw/zinc/17/15/26/663171526.db2.gz	FTHJNOBKTBMHSE-UHFFFAOYSA-N	-1	1	310.358	-2.259	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@H]3COCCN3C)C2)nc1=O	ZINC001030230943	663171967	/nfs/dbraw/zinc/17/19/67/663171967.db2.gz	BAAMVNITGYLELL-SNVBAGLBSA-N	-1	1	310.358	-2.261	20	0		DAADMM
Cn1[nH]c(CN2CC(NC(=O)c3ncccc3[O-])C2)nc1=O	ZINC001030239695	663172783	/nfs/dbraw/zinc/17/27/83/663172783.db2.gz	MCPSXHOVYHOSRG-UHFFFAOYSA-N	-1	1	304.310	-1.177	20	0		DAADMM
CC(=O)N1CC[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@H](O)C1	ZINC000991621412	663172851	/nfs/dbraw/zinc/17/28/51/663172851.db2.gz	YWHLFPKDKKXRFH-PSASIEDQSA-N	-1	1	320.309	-1.871	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3cn4c(n3)CCC4)C2)nc1=O	ZINC001030334509	663179915	/nfs/dbraw/zinc/17/99/15/663179915.db2.gz	OUYFSBLLMWUOFO-UHFFFAOYSA-N	-1	1	317.353	-1.135	20	0		DAADMM
Cc1c(CC(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)cnn1C	ZINC001030419970	663192267	/nfs/dbraw/zinc/19/22/67/663192267.db2.gz	DPZOLLUIYXWDAF-UHFFFAOYSA-N	-1	1	319.369	-1.307	20	0		DAADMM
Cc1ncc(CC(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)o1	ZINC001030436448	663194176	/nfs/dbraw/zinc/19/41/76/663194176.db2.gz	JRRUTUSYRBXZOT-UHFFFAOYSA-N	-1	1	306.326	-1.052	20	0		DAADMM
Cc1[nH]c(=O)[nH]c1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001030484961	663197727	/nfs/dbraw/zinc/19/77/27/663197727.db2.gz	DQMUJTHVDXCDJR-UHFFFAOYSA-N	-1	1	307.314	-1.540	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@@H]3CCN(C)C(=O)C3)C2)nc1=O	ZINC001030539634	663200541	/nfs/dbraw/zinc/20/05/41/663200541.db2.gz	IKZJYHSHMJRUSF-SECBINFHSA-N	-1	1	322.369	-1.723	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3ccn(C)c(=O)c3)C2)nc1=O	ZINC001030541912	663200564	/nfs/dbraw/zinc/20/05/64/663200564.db2.gz	DYPUHWAVDFCKJU-UHFFFAOYSA-N	-1	1	318.337	-1.579	20	0		DAADMM
C[C@H]1C[C@@H](C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)CC(=O)N1	ZINC001030587446	663202076	/nfs/dbraw/zinc/20/20/76/663202076.db2.gz	HNZUNMRUPXHONE-DTWKUNHWSA-N	-1	1	322.369	-1.677	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nc1=O	ZINC001030701466	663214748	/nfs/dbraw/zinc/21/47/48/663214748.db2.gz	QZMOKCTWHOPMFG-OQEOFVATSA-N	-1	1	319.365	-1.168	20	0		DAADMM
COc1nn(C)cc1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001030785076	663221684	/nfs/dbraw/zinc/22/16/84/663221684.db2.gz	YZORFLMXDKFSPB-UHFFFAOYSA-N	-1	1	321.341	-1.535	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3csc(=O)[nH]3)C2)nc1=O	ZINC001030816345	663225941	/nfs/dbraw/zinc/22/59/41/663225941.db2.gz	SJFQISQTUKRYFW-UHFFFAOYSA-N	-1	1	310.339	-1.115	20	0		DAADMM
CN1CC[C@H](C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)C1=O	ZINC001030814752	663226118	/nfs/dbraw/zinc/22/61/18/663226118.db2.gz	UWPYKYFNUABLLK-SECBINFHSA-N	-1	1	308.342	-2.113	20	0		DAADMM
Cc1ncc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)n1C	ZINC001030843355	663227318	/nfs/dbraw/zinc/22/73/18/663227318.db2.gz	QMLZVWMJEULHJV-UHFFFAOYSA-N	-1	1	305.342	-1.235	20	0		DAADMM
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](CO)C(=O)OC	ZINC000758498711	663229610	/nfs/dbraw/zinc/22/96/10/663229610.db2.gz	ABAVOTXADLYMQR-LURJTMIESA-N	-1	1	321.311	-1.683	20	0		DAADMM
Cn1cncc1C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001015134717	663232226	/nfs/dbraw/zinc/23/22/26/663232226.db2.gz	AOWXNDZMPCYBCG-VIFPVBQESA-N	-1	1	305.342	-1.154	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3cccc(=O)n3C)C2)nc1=O	ZINC001030932540	663234844	/nfs/dbraw/zinc/23/48/44/663234844.db2.gz	FGFISVRGXQCXOS-UHFFFAOYSA-N	-1	1	318.337	-1.579	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@]3(C)CCNC3=O)C2)nc1=O	ZINC001030947531	663237013	/nfs/dbraw/zinc/23/70/13/663237013.db2.gz	YYFFVAKMLRWTGO-CYBMUJFWSA-N	-1	1	308.342	-2.065	20	0		DAADMM
CCC(N[C@H]1CCS(=O)(=O)C1)=C1C(=O)[N-]C(=S)NC1=O	ZINC000031433881	663244598	/nfs/dbraw/zinc/24/45/98/663244598.db2.gz	IIOSPRXISZMJEF-LURJTMIESA-N	-1	1	317.392	-1.042	20	0		DAADMM
COc1ncc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC001031195100	663254696	/nfs/dbraw/zinc/25/46/96/663254696.db2.gz	RBVAJIATYZDBHE-UHFFFAOYSA-N	-1	1	319.325	-1.479	20	0		DAADMM
COc1ccc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001031201432	663255120	/nfs/dbraw/zinc/25/51/20/663255120.db2.gz	UBLKDMYPGXRBLN-UHFFFAOYSA-N	-1	1	319.325	-1.479	20	0		DAADMM
NC(=O)[C@@H]1CC(C(=O)NCc2nn[n-]n2)=NN1c1ccccc1	ZINC000731872612	663255733	/nfs/dbraw/zinc/25/57/33/663255733.db2.gz	CLZGAZKDLRYHRK-JTQLQIEISA-N	-1	1	314.309	-1.064	20	0		DAADMM
NC(=O)[C@H]1CC(C(=O)NCc2nn[n-]n2)=NN1c1ccccc1	ZINC000731872623	663255876	/nfs/dbraw/zinc/25/58/76/663255876.db2.gz	CLZGAZKDLRYHRK-SNVBAGLBSA-N	-1	1	314.309	-1.064	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@H]3C[C@@]34CCOC4)C2)nc1=O	ZINC001031221111	663256972	/nfs/dbraw/zinc/25/69/72/663256972.db2.gz	AYDVCGFMAHXGFQ-QMTHXVAHSA-N	-1	1	307.354	-1.165	20	0		DAADMM
NS(=O)(=O)c1cc(C(=O)NCc2nn[n-]n2)ccc1F	ZINC000732157651	663257023	/nfs/dbraw/zinc/25/70/23/663257023.db2.gz	CYZPXVXTCWOTCQ-UHFFFAOYSA-N	-1	1	300.275	-1.084	20	0		DAADMM
COc1c(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)cnn1C	ZINC001031317861	663280987	/nfs/dbraw/zinc/28/09/87/663280987.db2.gz	MWTLXMZGWHSBCI-UHFFFAOYSA-N	-1	1	321.341	-1.535	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@H]3CCCC(=O)N3C)C2)nc1=O	ZINC001031327968	663282071	/nfs/dbraw/zinc/28/20/71/663282071.db2.gz	KRDNSWGLOBWEBE-SNVBAGLBSA-N	-1	1	322.369	-1.580	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@@H]3CCCC(=O)N3C)C2)nc1=O	ZINC001031327967	663282643	/nfs/dbraw/zinc/28/26/43/663282643.db2.gz	KRDNSWGLOBWEBE-JTQLQIEISA-N	-1	1	322.369	-1.580	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@@H]3CCC(=O)N(C)C3)C2)nc1=O	ZINC001031444822	663294038	/nfs/dbraw/zinc/29/40/38/663294038.db2.gz	PBINVNARJGAKRX-SECBINFHSA-N	-1	1	322.369	-1.723	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@H]3CCC(=O)N(C)C3)C2)nc1=O	ZINC001031444824	663294361	/nfs/dbraw/zinc/29/43/61/663294361.db2.gz	PBINVNARJGAKRX-VIFPVBQESA-N	-1	1	322.369	-1.723	20	0		DAADMM
CC(=O)N1CCC[C@@H]1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031449879	663294713	/nfs/dbraw/zinc/29/47/13/663294713.db2.gz	BDGYOELINWCKDH-LLVKDONJSA-N	-1	1	322.369	-1.580	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)nc1=O	ZINC001031583622	663300995	/nfs/dbraw/zinc/30/09/95/663300995.db2.gz	YECDIUDAYLZIGN-SECBINFHSA-N	-1	1	308.342	-2.065	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@H]3COCCN3C)C2)nc1=O	ZINC001031622052	663303218	/nfs/dbraw/zinc/30/32/18/663303218.db2.gz	SZENVPSLCRGSRX-LLVKDONJSA-N	-1	1	324.385	-2.013	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)c3cncnc3)C2)nc1=O	ZINC001031628167	663303866	/nfs/dbraw/zinc/30/38/66/663303866.db2.gz	ZRVHKTLPKTUKJT-UHFFFAOYSA-N	-1	1	303.326	-1.240	20	0		DAADMM
Cn1cc(C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001031650049	663305165	/nfs/dbraw/zinc/30/51/65/663305165.db2.gz	SKTYJNKFAXLBFP-UHFFFAOYSA-N	-1	1	306.330	-1.901	20	0		DAADMM
C[C@H]1COC[C@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000921494288	663309637	/nfs/dbraw/zinc/30/96/37/663309637.db2.gz	FHVODXHJFXZSBP-JGVFFNPUSA-N	-1	1	303.340	-1.603	20	0		DAADMM
C[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000921494290	663309901	/nfs/dbraw/zinc/30/99/01/663309901.db2.gz	FHVODXHJFXZSBP-YUMQZZPRSA-N	-1	1	303.340	-1.603	20	0		DAADMM
NC(=O)C(=O)N[C@H]1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1	ZINC000938584235	663328688	/nfs/dbraw/zinc/32/86/88/663328688.db2.gz	WTGXVSDMSGMHAS-QMMMGPOBSA-N	-1	1	319.321	-1.124	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@@H]3CCCNC3=O)C2)nc1=O	ZINC001031748573	663337249	/nfs/dbraw/zinc/33/72/49/663337249.db2.gz	CTJIXLMOXYLWCP-SNVBAGLBSA-N	-1	1	322.369	-1.817	20	0		DAADMM
Cc1[nH]c(=O)[nH]c1C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031750348	663338699	/nfs/dbraw/zinc/33/86/99/663338699.db2.gz	MTTLCPMAVRIIQF-UHFFFAOYSA-N	-1	1	321.341	-1.293	20	0		DAADMM
O=C(Cn1cnnn1)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1	ZINC000940125245	663368925	/nfs/dbraw/zinc/36/89/25/663368925.db2.gz	GSMJFMWCEXEOPF-SECBINFHSA-N	-1	1	317.309	-1.195	20	0		DAADMM
NC(=O)C(=O)N1CC[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1	ZINC000940494163	663374651	/nfs/dbraw/zinc/37/46/51/663374651.db2.gz	GPSGIDUCHZYWHW-MRVPVSSYSA-N	-1	1	319.321	-1.124	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)nc1=O	ZINC001031897066	663375971	/nfs/dbraw/zinc/37/59/71/663375971.db2.gz	OCUKQVQZJGBDFM-VHSXEESVSA-N	-1	1	322.369	-1.832	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@H]3CC[C@H]3C(N)=O)C2)nc1=O	ZINC001031897067	663376348	/nfs/dbraw/zinc/37/63/48/663376348.db2.gz	OCUKQVQZJGBDFM-ZJUUUORDSA-N	-1	1	322.369	-1.832	20	0		DAADMM
CN1C[C@@H](C(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)NC1=O	ZINC001038596194	663385957	/nfs/dbraw/zinc/38/59/57/663385957.db2.gz	JBVOTLBJKKMPLO-BDAKNGLRSA-N	-1	1	323.357	-2.178	20	0		DAADMM
Cn1[n-]c(CN2CC(N3CCN(C(=O)C4CC4)CC3)C2)nc1=O	ZINC000941270623	663386499	/nfs/dbraw/zinc/38/64/99/663386499.db2.gz	KDFMUXUOAXPJMX-UHFFFAOYSA-N	-1	1	320.397	-1.153	20	0		DAADMM
CCN1CC(N2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)C1	ZINC000941653285	663401624	/nfs/dbraw/zinc/40/16/24/663401624.db2.gz	MTIPSKQCQYEBKS-UHFFFAOYSA-N	-1	1	310.358	-1.462	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)C1	ZINC000942154600	663414349	/nfs/dbraw/zinc/41/43/49/663414349.db2.gz	RJSLENKVFKTDQD-ZCFIWIBFSA-N	-1	1	322.285	-2.162	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](NC(=O)c2ncn[nH]2)C1	ZINC000942154600	663414353	/nfs/dbraw/zinc/41/43/53/663414353.db2.gz	RJSLENKVFKTDQD-ZCFIWIBFSA-N	-1	1	322.285	-2.162	20	0		DAADMM
O=C(N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)[C@@H]1CNC(=O)N1	ZINC000942305854	663420029	/nfs/dbraw/zinc/42/00/29/663420029.db2.gz	XNNSKISVBCPLDZ-BDAKNGLRSA-N	-1	1	319.321	-1.201	20	0		DAADMM
NC(=O)C(=O)N[C@@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC000942305136	663420163	/nfs/dbraw/zinc/42/01/63/663420163.db2.gz	QPJLNEXRCWOERI-MRVPVSSYSA-N	-1	1	323.309	-2.871	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3cccnn3)C2)nc1=O	ZINC001015889026	663445968	/nfs/dbraw/zinc/44/59/68/663445968.db2.gz	MIRIQTRVIHGWMS-VIFPVBQESA-N	-1	1	303.326	-1.097	20	0		DAADMM
Cn1ccc(C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001032187501	663446168	/nfs/dbraw/zinc/44/61/68/663446168.db2.gz	VXCNPOOMBTTYDB-UHFFFAOYSA-N	-1	1	305.342	-1.296	20	0		DAADMM
NC(=O)C(=O)N1CCO[C@H](CNC(=O)c2ncccc2[O-])C1	ZINC000944563720	663457807	/nfs/dbraw/zinc/45/78/07/663457807.db2.gz	HGSUKIIGLSZTID-MRVPVSSYSA-N	-1	1	308.294	-1.770	20	0		DAADMM
Cn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nc(=O)n(C)[n-]2)cn1	ZINC001032270886	663477649	/nfs/dbraw/zinc/47/76/49/663477649.db2.gz	ORGRJAZLWRVEEM-QWRGUYRKSA-N	-1	1	317.353	-1.059	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2COCCO2)nc1=O	ZINC001032290715	663481976	/nfs/dbraw/zinc/48/19/76/663481976.db2.gz	UFLYZOYJDOMNSS-DCAQKATOSA-N	-1	1	323.353	-1.691	20	0		DAADMM
CC1(C)CN(C(=O)Cn2ncnn2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC000995797177	663482026	/nfs/dbraw/zinc/48/20/26/663482026.db2.gz	OMAQNWGYRWPKFV-MRVPVSSYSA-N	-1	1	321.345	-1.476	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2COCCO2)nc1=O	ZINC001032290716	663482038	/nfs/dbraw/zinc/48/20/38/663482038.db2.gz	UFLYZOYJDOMNSS-GARJFASQSA-N	-1	1	323.353	-1.691	20	0		DAADMM
CC1(C)CN(C(=O)Cn2ncnn2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC000995797180	663482046	/nfs/dbraw/zinc/48/20/46/663482046.db2.gz	OMAQNWGYRWPKFV-QMMMGPOBSA-N	-1	1	321.345	-1.476	20	0		DAADMM
CC1(C)CN(C(=O)[C@H]2CNC(=O)N2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC000996211913	663484152	/nfs/dbraw/zinc/48/41/52/663484152.db2.gz	JUSCSOCJGOUBMM-SFYZADRCSA-N	-1	1	323.357	-1.482	20	0		DAADMM
CO[C@H](C)C(=O)N1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000996409709	663486007	/nfs/dbraw/zinc/48/60/07/663486007.db2.gz	XSBRJOMXPRQURT-SSDOTTSWSA-N	-1	1	320.309	-1.607	20	0		DAADMM
CSCC(=O)N1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000996404611	663486041	/nfs/dbraw/zinc/48/60/41/663486041.db2.gz	GMZVSZLUYOGANE-UHFFFAOYSA-N	-1	1	322.350	-1.279	20	0		DAADMM
CC[S@](=O)CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000733899625	663488753	/nfs/dbraw/zinc/48/87/53/663488753.db2.gz	LAIOJLMNWXUCGL-IBGZPJMESA-N	-1	1	323.396	-1.869	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2COC(=O)N2)nc1=O	ZINC001032384946	663503865	/nfs/dbraw/zinc/50/38/65/663503865.db2.gz	YYVRKCXGOOUDHT-CIUDSAMLSA-N	-1	1	322.325	-1.998	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)Cn2ncnn2)nc1=O	ZINC001032405214	663505741	/nfs/dbraw/zinc/50/57/41/663505741.db2.gz	PGRAOAAOMOZCHX-IUCAKERBSA-N	-1	1	319.329	-2.420	20	0		DAADMM
Cc1nn[nH]c1C(=O)N1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC000997257149	663508726	/nfs/dbraw/zinc/50/87/26/663508726.db2.gz	DLZDIDULOZCCQV-UHFFFAOYSA-N	-1	1	322.285	-2.243	20	0		DAADMM
Cc1ncc(C(=O)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)[nH]1	ZINC000997265513	663509297	/nfs/dbraw/zinc/50/92/97/663509297.db2.gz	MLKKKOMHJIOALK-UHFFFAOYSA-N	-1	1	321.297	-1.638	20	0		DAADMM
Cc1n[nH]nc1C(=O)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC000997338468	663509756	/nfs/dbraw/zinc/50/97/56/663509756.db2.gz	AAHZOZGKTUXGLQ-UHFFFAOYSA-N	-1	1	322.285	-2.243	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCN(CC(N)=O)C1	ZINC001015989571	663509970	/nfs/dbraw/zinc/50/99/70/663509970.db2.gz	SNCDDOAJQVSZDC-LURJTMIESA-N	-1	1	311.298	-1.814	20	0		DAADMM
CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ncnn2C)c1=O	ZINC000736718356	663510495	/nfs/dbraw/zinc/51/04/95/663510495.db2.gz	JNKZTRMEQJZBSE-UHFFFAOYSA-N	-1	1	303.286	-1.613	20	0		DAADMM
CO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)C(N)=O	ZINC000946493575	663539092	/nfs/dbraw/zinc/53/90/92/663539092.db2.gz	RYLWPYDAQIYGDI-VXNVDRBHSA-N	-1	1	308.294	-1.772	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[C@H]2C(N)=O)nc1=O	ZINC001032628720	663541281	/nfs/dbraw/zinc/54/12/81/663541281.db2.gz	CUMHAUYLRWLKOT-QEYWKRMJSA-N	-1	1	320.353	-1.985	20	0		DAADMM
O=C([C@H]1CCC(=O)N1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000998747168	663551881	/nfs/dbraw/zinc/55/18/81/663551881.db2.gz	TXGHDBUSEIQHDW-RKDXNWHRSA-N	-1	1	308.342	-1.131	20	0		DAADMM
CN1CCO[C@H](C(=O)N2CCC[C@H](NCc3n[nH]c(=O)[n-]3)C2)C1	ZINC000998825925	663552813	/nfs/dbraw/zinc/55/28/13/663552813.db2.gz	NQLRKHZKSHDUKE-QWRGUYRKSA-N	-1	1	324.385	-1.079	20	0		DAADMM
CN1CCO[C@@H](C(=O)N2CCC[C@H](NCc3n[nH]c(=O)[n-]3)C2)C1	ZINC000998825930	663553031	/nfs/dbraw/zinc/55/30/31/663553031.db2.gz	NQLRKHZKSHDUKE-WDEREUQCSA-N	-1	1	324.385	-1.079	20	0		DAADMM
O=C(CN1CCOCC1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000998956193	663554057	/nfs/dbraw/zinc/55/40/57/663554057.db2.gz	ULTWLZVHIHEJTE-LLVKDONJSA-N	-1	1	324.385	-1.077	20	0		DAADMM
NC(=O)[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2ncccc2[O-])C1	ZINC000999923212	663570187	/nfs/dbraw/zinc/57/01/87/663570187.db2.gz	QZQOVYOJEZKLLE-BDAKNGLRSA-N	-1	1	304.306	-1.151	20	0		DAADMM
O=C(c1c[nH]c(=O)cn1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001000028904	663573925	/nfs/dbraw/zinc/57/39/25/663573925.db2.gz	VTJQVBLGJMUPAE-QMMMGPOBSA-N	-1	1	319.325	-1.012	20	0		DAADMM
NC(=O)C1(C(=O)N2CCC[C@H](NCc3n[nH]c(=O)[n-]3)C2)CC1	ZINC001000062343	663575128	/nfs/dbraw/zinc/57/51/28/663575128.db2.gz	JKHMEPJEUXCWDX-QMMMGPOBSA-N	-1	1	308.342	-1.144	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC(=O)N2)nc1=O	ZINC001032740821	663579032	/nfs/dbraw/zinc/57/90/32/663579032.db2.gz	JQSZWADKROFVMY-GUBZILKMSA-N	-1	1	320.353	-1.828	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)Cn2cncn2)nc1=O	ZINC001032768804	663584274	/nfs/dbraw/zinc/58/42/74/663584274.db2.gz	RSNIRKSDTXJLIS-UWVGGRQHSA-N	-1	1	318.341	-1.815	20	0		DAADMM
O=C(Cn1cnnn1)N1CC(CNC(=O)c2ncccc2[O-])C1	ZINC001001535727	663603212	/nfs/dbraw/zinc/60/32/12/663603212.db2.gz	CCKIMJJKVAWZID-UHFFFAOYSA-N	-1	1	317.309	-1.338	20	0		DAADMM
Cn1[n-]c(CN2CCC(NC(=O)Cn3cnnn3)CC2)nc1=O	ZINC001002303548	663614075	/nfs/dbraw/zinc/61/40/75/663614075.db2.gz	OYGXHKTUNIFNMW-UHFFFAOYSA-N	-1	1	321.345	-2.124	20	0		DAADMM
Cn1[n-]c(CN2CCC(NC(=O)Cn3nccn3)CC2)nc1=O	ZINC001002919319	663620932	/nfs/dbraw/zinc/62/09/32/663620932.db2.gz	UGYKSTYEQDXBNP-UHFFFAOYSA-N	-1	1	320.357	-1.519	20	0		DAADMM
CNC(=O)[C@H](C)N1CCC(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001003250559	663626841	/nfs/dbraw/zinc/62/68/41/663626841.db2.gz	IQMBANUIAMLMFU-ZETCQYMHSA-N	-1	1	324.341	-1.389	20	0		DAADMM
CC[C@@H](C(N)=O)N1CCC(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001003248189	663627318	/nfs/dbraw/zinc/62/73/18/663627318.db2.gz	FSNJSSVJSXIJHY-QMMMGPOBSA-N	-1	1	324.341	-1.259	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)c2cnns2)nc1=O	ZINC001038090357	663628225	/nfs/dbraw/zinc/62/82/25/663628225.db2.gz	BXIRAVZFQVPDRS-SSDOTTSWSA-N	-1	1	309.355	-1.036	20	0		DAADMM
Cn1[n-]c(CN2CCC(NC(=O)[C@H]3CNC(=O)N3)CC2)nc1=O	ZINC001003533498	663630526	/nfs/dbraw/zinc/63/05/26/663630526.db2.gz	ZTLCFKYUVGPCLM-SECBINFHSA-N	-1	1	323.357	-2.130	20	0		DAADMM
CN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033044305	663646451	/nfs/dbraw/zinc/64/64/51/663646451.db2.gz	DNRFDEQCLJGTRF-BDAKNGLRSA-N	-1	1	324.341	-1.751	20	0		DAADMM
CN(C(=O)[C@H]1CCNC1=O)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033321119	663657949	/nfs/dbraw/zinc/65/79/49/663657949.db2.gz	IVJRQMATJVYBLF-UWVGGRQHSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033381815	663660447	/nfs/dbraw/zinc/66/04/47/663660447.db2.gz	YMPPCRVFSIYFGV-RKDXNWHRSA-N	-1	1	323.357	-2.178	20	0		DAADMM
O=C(Cn1cnnn1)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001034855166	663675188	/nfs/dbraw/zinc/67/51/88/663675188.db2.gz	UNUXLNAGPMWCKP-MRVPVSSYSA-N	-1	1	307.318	-1.722	20	0		DAADMM
CN1CCO[C@@H](C(=O)N2CCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)C1	ZINC001034890760	663675323	/nfs/dbraw/zinc/67/53/23/663675323.db2.gz	HRPASDCBIQDENS-GHMZBOCLSA-N	-1	1	324.385	-1.079	20	0		DAADMM
Cn1nnc(C(=O)N2CCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)n1	ZINC001035016415	663676293	/nfs/dbraw/zinc/67/62/93/663676293.db2.gz	AMCPRAQGXBELJS-SSDOTTSWSA-N	-1	1	307.318	-1.572	20	0		DAADMM
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001035052477	663677352	/nfs/dbraw/zinc/67/73/52/663677352.db2.gz	OFVZKNDZWXSHSH-HLTSFMKQSA-N	-1	1	308.342	-1.288	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@@H](CNC(=O)c3ccn[nH]3)C2)nc1=O	ZINC001035302407	663678407	/nfs/dbraw/zinc/67/84/07/663678407.db2.gz	HSPFTOOVPUTEBP-VIFPVBQESA-N	-1	1	321.341	-1.538	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@H](CNC(=O)c3cn[nH]c3)C2)nc1=O	ZINC001035298390	663678567	/nfs/dbraw/zinc/67/85/67/663678567.db2.gz	JILGXHNKVVEUDL-SNVBAGLBSA-N	-1	1	321.341	-1.538	20	0		DAADMM
CNC(=O)CN1CCO[C@H](CNC(=O)c2ncccc2[O-])C1	ZINC001035344287	663679817	/nfs/dbraw/zinc/67/98/17/663679817.db2.gz	PFUGHTPDWBOSCQ-SNVBAGLBSA-N	-1	1	308.338	-1.036	20	0		DAADMM
O=C(NC[C@H]1CN(CCO)CCO1)c1cc(=O)n2[n-]cnc2n1	ZINC001035577255	663687847	/nfs/dbraw/zinc/68/78/47/663687847.db2.gz	PGBPQIXEQRNZLI-VIFPVBQESA-N	-1	1	322.325	-2.160	20	0		DAADMM
NC(=O)CC(=O)N1CC[C@H]2[C@@H](CCN2Cc2n[nH]c(=O)[n-]2)C1	ZINC001036673421	663694191	/nfs/dbraw/zinc/69/41/91/663694191.db2.gz	PMYAYMNYCSYLPN-IUCAKERBSA-N	-1	1	308.342	-1.192	20	0		DAADMM
CC[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CN2CCN1CC2	ZINC000866994952	663793669	/nfs/dbraw/zinc/79/36/69/663793669.db2.gz	VQGSPTJSLHSQMP-MLCYQJTMSA-N	-1	1	310.445	-1.062	20	0		DAADMM
Cc1nonc1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000742325522	663795916	/nfs/dbraw/zinc/79/59/16/663795916.db2.gz	GGTXEWSSWSQBGB-UHFFFAOYSA-N	-1	1	315.311	-1.746	20	0		DAADMM
CNC(=O)N1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC000748398980	663800617	/nfs/dbraw/zinc/80/06/17/663800617.db2.gz	NEZOQWWESUTVID-UHFFFAOYSA-N	-1	1	309.326	-1.590	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NC[C@H](O)COCC1CC1	ZINC000748413577	663800792	/nfs/dbraw/zinc/80/07/92/663800792.db2.gz	WSXUAYNTAWSIFI-NSHDSACASA-N	-1	1	311.338	-1.170	20	0		DAADMM
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(=O)O1	ZINC000748861606	663801103	/nfs/dbraw/zinc/80/11/03/663801103.db2.gz	CIGYVNWLULXFSZ-NKWVEPMBSA-N	-1	1	317.323	-1.934	20	0		DAADMM
C[C@H]1C[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(=O)O1	ZINC000748861605	663801235	/nfs/dbraw/zinc/80/12/35/663801235.db2.gz	CIGYVNWLULXFSZ-BQBZGAKWSA-N	-1	1	317.323	-1.934	20	0		DAADMM
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CC(=O)N(C)C	ZINC000750977184	663802287	/nfs/dbraw/zinc/80/22/87/663802287.db2.gz	KKUHFIFQMZPNQR-UHFFFAOYSA-N	-1	1	304.328	-1.129	20	0		DAADMM
CC(C)N1C(=O)C[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1=O	ZINC000751399723	663802507	/nfs/dbraw/zinc/80/25/07/663802507.db2.gz	PDTFFNOXICMKPM-SECBINFHSA-N	-1	1	322.321	-1.421	20	0		DAADMM
CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)OC	ZINC000751026873	663802551	/nfs/dbraw/zinc/80/25/51/663802551.db2.gz	BCTDBIVRVXFGIM-ZCFIWIBFSA-N	-1	1	304.328	-1.082	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H](CO)C2CC2)c(=O)n(C)c1=O	ZINC000751424142	663802578	/nfs/dbraw/zinc/80/25/78/663802578.db2.gz	RTSKFVLBJZPUGF-QMMMGPOBSA-N	-1	1	303.340	-1.867	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N[C@H]1CC(=O)N(C2CC2)C1	ZINC000752470099	663803640	/nfs/dbraw/zinc/80/36/40/663803640.db2.gz	NMVQTRJNZZVCQT-VIFPVBQESA-N	-1	1	306.322	-1.194	20	0		DAADMM
CN(C)C(=O)COC1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC000752474364	663803658	/nfs/dbraw/zinc/80/36/58/663803658.db2.gz	WNOOTPDAMXCYNE-UHFFFAOYSA-N	-1	1	324.337	-1.758	20	0		DAADMM
O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NN1CC(=O)[N-]C1=O	ZINC000752693200	663803812	/nfs/dbraw/zinc/80/38/12/663803812.db2.gz	DRGWBCHOVRPIRF-HTQZYQBOSA-N	-1	1	308.294	-1.255	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCN2CCOC[C@@H]2C1	ZINC000754463870	663804736	/nfs/dbraw/zinc/80/47/36/663804736.db2.gz	DABUHJWBQVYSBN-NSHDSACASA-N	-1	1	308.338	-1.530	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)NC(N)=O)co1	ZINC000756401789	663805904	/nfs/dbraw/zinc/80/59/04/663805904.db2.gz	FRVRQGYPDAOTRK-RXMQYKEDSA-N	-1	1	319.295	-1.072	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)NC(N)=O)co1	ZINC000756389744	663806354	/nfs/dbraw/zinc/80/63/54/663806354.db2.gz	MXNJPQDPXRTAPY-UHFFFAOYSA-N	-1	1	305.268	-1.461	20	0		DAADMM
Cc1cc(O)cc(=O)n1CC(=O)N1CCO[C@H](c2nn[n-]n2)C1	ZINC000759783774	663809142	/nfs/dbraw/zinc/80/91/42/663809142.db2.gz	KDXBQDITTHUQCY-JTQLQIEISA-N	-1	1	320.309	-1.024	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCN2C(=O)OCC[C@H]2C1	ZINC000764261703	663811643	/nfs/dbraw/zinc/81/16/43/663811643.db2.gz	DMXFWBIGCRMRNC-JTQLQIEISA-N	-1	1	322.321	-1.020	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCC1(N2CCOCC2)CC1	ZINC000765181519	663812478	/nfs/dbraw/zinc/81/24/78/663812478.db2.gz	HYNUNJPUUCVNGD-UHFFFAOYSA-N	-1	1	322.365	-1.092	20	0		DAADMM
CC[C@]1(C)NC(=O)N(CC(=O)OCc2nc(=O)n(C)[n-]2)C1=O	ZINC000765394455	663812652	/nfs/dbraw/zinc/81/26/52/663812652.db2.gz	SENIIUKDSYMHRT-LBPRGKRZSA-N	-1	1	311.298	-1.128	20	0		DAADMM
Cn1[n-]c(COC(=O)[C@@H]2CCCCN2S(C)(=O)=O)nc1=O	ZINC000765449062	663812895	/nfs/dbraw/zinc/81/28/95/663812895.db2.gz	XGIMCYKIJGUZQO-QMMMGPOBSA-N	-1	1	318.355	-1.034	20	0		DAADMM
CNS(=O)(=O)c1cc(C(=O)OCc2nc(=O)n(C)[n-]2)co1	ZINC000765496821	663813169	/nfs/dbraw/zinc/81/31/69/663813169.db2.gz	LQQPLNDUSDFGND-UHFFFAOYSA-N	-1	1	316.295	-1.034	20	0		DAADMM
C[C@@H](O)C[C@H]1COCCN1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000766545293	663813992	/nfs/dbraw/zinc/81/39/92/663813992.db2.gz	XFKOPHOWLMLLEL-MNOVXSKESA-N	-1	1	311.338	-1.075	20	0		DAADMM
CCOC(=O)[C@@](C)(O)CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000768726328	663815165	/nfs/dbraw/zinc/81/51/65/663815165.db2.gz	XOPFSVICCUNNER-ZDUSSCGKSA-N	-1	1	313.310	-1.643	20	0		DAADMM
CC[C@]1(C)NC(=O)N(NC(=O)CCn2cc[n-]c(=O)c2=O)C1=O	ZINC000769817363	663816168	/nfs/dbraw/zinc/81/61/68/663816168.db2.gz	UMSZWLCCJCKZPC-ZDUSSCGKSA-N	-1	1	323.309	-1.322	20	0		DAADMM
C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)[C@H]1CN(C)CCO1	ZINC000770335260	663816815	/nfs/dbraw/zinc/81/68/15/663816815.db2.gz	LGPYZZAIRONZPJ-GHMZBOCLSA-N	-1	1	310.354	-1.238	20	0		DAADMM
CN(C)C(=O)NCCN(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000775810880	663821433	/nfs/dbraw/zinc/82/14/33/663821433.db2.gz	MKEQWOGMQQZUKF-UHFFFAOYSA-N	-1	1	311.342	-1.344	20	0		DAADMM
O=C(C1=NN(CCO)C(=O)CC1)N1CCC[C@H](c2nn[n-]n2)C1	ZINC000775546550	663821612	/nfs/dbraw/zinc/82/16/12/663821612.db2.gz	SELRQAPVLHHSIF-VIFPVBQESA-N	-1	1	321.341	-1.124	20	0		DAADMM
Cn1cc(S(=O)(=O)NCCOC(=O)c2cn[n-]n2)cn1	ZINC000805605782	663822631	/nfs/dbraw/zinc/82/26/31/663822631.db2.gz	NVPHSXPUZQEKES-UHFFFAOYSA-N	-1	1	300.300	-1.327	20	0		DAADMM
CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NN1CC(=O)[N-]C1=O	ZINC000783568715	663827730	/nfs/dbraw/zinc/82/77/30/663827730.db2.gz	DBCGAIMTEBTMGA-ZETCQYMHSA-N	-1	1	306.344	-1.467	20	0		DAADMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H](O)C(=O)NC	ZINC000786900620	663830426	/nfs/dbraw/zinc/83/04/26/663830426.db2.gz	OGIKFGQGYYPSFE-SSDOTTSWSA-N	-1	1	320.327	-2.028	20	0		DAADMM
Cn1cnn(CC(=O)N2CCSC[C@@H]2c2nn[n-]n2)c1=O	ZINC000788602703	663832394	/nfs/dbraw/zinc/83/23/94/663832394.db2.gz	UAZZNOKWLNLAFK-SSDOTTSWSA-N	-1	1	310.343	-1.588	20	0		DAADMM
C[C@@H](NS(C)(=O)=O)C(=O)N1CCSC[C@@H]1c1nn[n-]n1	ZINC000789924510	663832987	/nfs/dbraw/zinc/83/29/87/663832987.db2.gz	YHUDXKKRKAFOAY-RNFRBKRXSA-N	-1	1	320.400	-1.246	20	0		DAADMM
CSCCO[N-]C(=O)C(=O)NC[C@H]1CN(C)CCN1C	ZINC000806059881	663836781	/nfs/dbraw/zinc/83/67/81/663836781.db2.gz	QRVBFBAAZMCINI-JTQLQIEISA-N	-1	1	304.416	-1.241	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)CN3C(=O)C(=O)N(C)C3=O)ccnc1-2	ZINC000801702194	663840646	/nfs/dbraw/zinc/84/06/46/663840646.db2.gz	VSGNQNMXFNPWOX-UHFFFAOYSA-N	-1	1	316.277	-1.299	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCCn2cnnn2)o1	ZINC000807920623	663846646	/nfs/dbraw/zinc/84/66/46/663846646.db2.gz	JTCGZNZPQBEHOS-UHFFFAOYSA-N	-1	1	300.300	-1.396	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCn2cnnn2)co1	ZINC000807920383	663846803	/nfs/dbraw/zinc/84/68/03/663846803.db2.gz	RXHABXRCYKKCFN-UHFFFAOYSA-N	-1	1	300.300	-1.396	20	0		DAADMM
CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](O)C(=O)NC)o1	ZINC000809838460	663848576	/nfs/dbraw/zinc/84/85/76/663848576.db2.gz	YUNZDVYFGWTDLW-SSDOTTSWSA-N	-1	1	320.323	-1.159	20	0		DAADMM
C[C@@H](O)C[C@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000824699726	663863624	/nfs/dbraw/zinc/86/36/24/663863624.db2.gz	UZDYVXAZPTVEFK-NKWVEPMBSA-N	-1	1	309.330	-1.165	20	0		DAADMM
CCOC(=O)c1cnn(CC(=O)NC(=O)NC)c1-c1nn[n-]n1	ZINC000825565732	663864842	/nfs/dbraw/zinc/86/48/42/663864842.db2.gz	XYXYRRFBSACCTO-UHFFFAOYSA-N	-1	1	322.285	-1.305	20	0		DAADMM
Cn1cc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)nn1	ZINC000826361564	663866092	/nfs/dbraw/zinc/86/60/92/663866092.db2.gz	CQEVBAASMDLPSL-UHFFFAOYSA-N	-1	1	321.326	-1.131	20	0		DAADMM
Cn1cc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)nn1	ZINC000826361564	663866099	/nfs/dbraw/zinc/86/60/99/663866099.db2.gz	CQEVBAASMDLPSL-UHFFFAOYSA-N	-1	1	321.326	-1.131	20	0		DAADMM
O=C(CNC(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCOCC1	ZINC000826432452	663866249	/nfs/dbraw/zinc/86/62/49/663866249.db2.gz	BDRULIIDICKCNX-UHFFFAOYSA-N	-1	1	317.309	-1.150	20	0		DAADMM
O=C(CNC(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCOCC1	ZINC000826432452	663866251	/nfs/dbraw/zinc/86/62/51/663866251.db2.gz	BDRULIIDICKCNX-UHFFFAOYSA-N	-1	1	317.309	-1.150	20	0		DAADMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCC(=O)NC2=O)n1	ZINC000826356811	663866667	/nfs/dbraw/zinc/86/66/67/663866667.db2.gz	GYDBVQINNJHEKK-ZCFIWIBFSA-N	-1	1	319.285	-1.473	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCC(=O)NC2=O)n1	ZINC000826356811	663866668	/nfs/dbraw/zinc/86/66/68/663866668.db2.gz	GYDBVQINNJHEKK-ZCFIWIBFSA-N	-1	1	319.285	-1.473	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCn2cnnn2)c(=O)n(C)c1=O	ZINC000845952793	663886035	/nfs/dbraw/zinc/88/60/35/663886035.db2.gz	AKYJROWOWZKBGE-UHFFFAOYSA-N	-1	1	315.315	-2.951	20	0		DAADMM
COC(=O)c1cnn(CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1	ZINC000859278335	663911566	/nfs/dbraw/zinc/91/15/66/663911566.db2.gz	PGQRIJKHSWCFHD-SECBINFHSA-N	-1	1	321.297	-1.217	20	0		DAADMM
O=C(N[C@@H]1CCCN(CCN2CCOCC2)C1)c1cc(=O)[nH][n-]1	ZINC000882632133	663959572	/nfs/dbraw/zinc/95/95/72/663959572.db2.gz	NZYDNUFTLAXWJB-GFCCVEGCSA-N	-1	1	323.397	-1.225	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)nc1=O	ZINC000949035932	663962339	/nfs/dbraw/zinc/96/23/39/663962339.db2.gz	XCTQWWLSPOZSMY-SNVBAGLBSA-N	-1	1	322.369	-1.721	20	0		DAADMM
CO[N-]C(=O)CNC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1	ZINC000927211849	663984946	/nfs/dbraw/zinc/98/49/46/663984946.db2.gz	ORJVXJFQKASHLT-MNOVXSKESA-N	-1	1	300.359	-1.095	20	0		DAADMM
CN1C[C@@H](C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)CC1=O	ZINC000948614942	664019018	/nfs/dbraw/zinc/01/90/18/664019018.db2.gz	OQSQDHSLVDOTNF-JTQLQIEISA-N	-1	1	322.369	-1.769	20	0		DAADMM
O=C(Cn1cnnn1)N1CC[C@@H]1CNC(=O)c1ncccc1[O-]	ZINC000949531009	664038295	/nfs/dbraw/zinc/03/82/95/664038295.db2.gz	LABRIKFSGUEARX-SECBINFHSA-N	-1	1	317.309	-1.195	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@H]3CCNC3=O)CC2)nc1=O	ZINC000949639386	664039416	/nfs/dbraw/zinc/03/94/16/664039416.db2.gz	NPWGFARZZRGFSA-VIFPVBQESA-N	-1	1	308.342	-2.111	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@H]3CC[C@@H]3C(N)=O)CC2)nc1=O	ZINC000949627553	664039603	/nfs/dbraw/zinc/03/96/03/664039603.db2.gz	IMZNOAOUTOOTTC-UWVGGRQHSA-N	-1	1	322.369	-1.736	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@H]3CC[C@H]3C(N)=O)CC2)nc1=O	ZINC000949627555	664039849	/nfs/dbraw/zinc/03/98/49/664039849.db2.gz	IMZNOAOUTOOTTC-ZJUUUORDSA-N	-1	1	322.369	-1.736	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)nc1=O	ZINC000949753880	664045109	/nfs/dbraw/zinc/04/51/09/664045109.db2.gz	UMIZOSBYMQHUJE-IAZYJMLFSA-N	-1	1	307.354	-1.355	20	0		DAADMM
CCN(C(=O)[C@@H]1CNC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000951588984	664085497	/nfs/dbraw/zinc/08/54/97/664085497.db2.gz	PCUSCKFOJJFNBS-VIFPVBQESA-N	-1	1	323.357	-2.178	20	0		DAADMM
Cn1nnc(C(=O)NC[C@@H]2CCN2C(=O)c2ncccc2[O-])n1	ZINC000951619311	664087096	/nfs/dbraw/zinc/08/70/96/664087096.db2.gz	BMXNHOIVGPKOQL-QMMMGPOBSA-N	-1	1	317.309	-1.045	20	0		DAADMM
CCN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000951763354	664093325	/nfs/dbraw/zinc/09/33/25/664093325.db2.gz	CCWIJEQPRAAZSU-ZJUUUORDSA-N	-1	1	322.369	-1.738	20	0		DAADMM
O=C(NC[C@H]1CCN1C(=O)c1ncccc1[O-])[C@@H]1CNC(=O)N1	ZINC000951878268	664102103	/nfs/dbraw/zinc/10/21/03/664102103.db2.gz	NHVPEOQCGKUNTH-BDAKNGLRSA-N	-1	1	319.321	-1.201	20	0		DAADMM
CC(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1C	ZINC000952369869	664109321	/nfs/dbraw/zinc/10/93/21/664109321.db2.gz	PMZUSNIYXJVQHM-MWLCHTKSSA-N	-1	1	308.338	-1.090	20	0		DAADMM
CN(C(=O)Cn1cnnn1)C1CN(C(=O)c2ncccc2[O-])C1	ZINC000953680450	664121602	/nfs/dbraw/zinc/12/16/02/664121602.db2.gz	CYSIZRSPVINGAS-UHFFFAOYSA-N	-1	1	317.309	-1.243	20	0		DAADMM
Cn1nncc1C(=O)N[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001007242758	664135399	/nfs/dbraw/zinc/13/53/99/664135399.db2.gz	ONRAJDJPZLJFRJ-SECBINFHSA-N	-1	1	320.357	-1.369	20	0		DAADMM
CN(C(=O)c1ncccc1[O-])C1CN(C(=O)Cn2ncnn2)C1	ZINC000954125284	664135658	/nfs/dbraw/zinc/13/56/58/664135658.db2.gz	JDGAZLWVZWASEV-UHFFFAOYSA-N	-1	1	317.309	-1.243	20	0		DAADMM
CN(C(=O)c1ncccc1[O-])C1CN(C(=O)[C@@H]2CNC(=O)N2)C1	ZINC000954125459	664135784	/nfs/dbraw/zinc/13/57/84/664135784.db2.gz	PCMRAOFIONMWKK-VIFPVBQESA-N	-1	1	319.321	-1.249	20	0		DAADMM
CN(C(=O)c1cc(=O)n2[n-]cnc2n1)C1CN(C(=O)C(N)=O)C1	ZINC000954829918	664158036	/nfs/dbraw/zinc/15/80/36/664158036.db2.gz	CTXDQWGAQYHTRB-UHFFFAOYSA-N	-1	1	319.281	-2.814	20	0		DAADMM
CN(C(=O)C(N)=O)C1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000955160276	664176880	/nfs/dbraw/zinc/17/68/80/664176880.db2.gz	MCIWFMOGPBUPJP-UHFFFAOYSA-N	-1	1	319.281	-2.814	20	0		DAADMM
Cn1cc(C(=O)N[C@@H]2CCCN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001007255844	664200802	/nfs/dbraw/zinc/20/08/02/664200802.db2.gz	OJBJVLBVIBBKKT-SECBINFHSA-N	-1	1	320.357	-1.369	20	0		DAADMM
CCn1cc(C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)nn1	ZINC000956951700	664204064	/nfs/dbraw/zinc/20/40/64/664204064.db2.gz	WJRKDOOEHUBXPY-UHFFFAOYSA-N	-1	1	320.357	-1.322	20	0		DAADMM
CNC(=O)CN1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC000957315106	664209508	/nfs/dbraw/zinc/20/95/08/664209508.db2.gz	XSHIYPDMVXGFRO-UHFFFAOYSA-N	-1	1	319.325	-2.079	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN(CC(N)=O)CC1	ZINC000957315142	664209645	/nfs/dbraw/zinc/20/96/45/664209645.db2.gz	ZKNIVIXPUTYYLB-UHFFFAOYSA-N	-1	1	311.298	-1.861	20	0		DAADMM
C[C@@H](O)CN1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC000957314351	664210032	/nfs/dbraw/zinc/21/00/32/664210032.db2.gz	AVOMOASOXPEKSZ-SECBINFHSA-N	-1	1	306.326	-1.444	20	0		DAADMM
O=C(c1cc(=O)n2[n-]cnc2n1)N1CCN(CCCO)CC1	ZINC000957319320	664210042	/nfs/dbraw/zinc/21/00/42/664210042.db2.gz	IKHHTKVUDYYPTH-UHFFFAOYSA-N	-1	1	306.326	-1.442	20	0		DAADMM
Cc1nc(CN2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)n[nH]1	ZINC000957474770	664213825	/nfs/dbraw/zinc/21/38/25/664213825.db2.gz	ZXDVZRARWSOWDC-UHFFFAOYSA-N	-1	1	322.329	-1.540	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](CNC(=O)c3ccn[nH]3)[C@H](O)C2)nc1=O	ZINC000957894746	664222132	/nfs/dbraw/zinc/22/21/32/664222132.db2.gz	OCOXYQXBSROVKG-PSASIEDQSA-N	-1	1	321.341	-1.946	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](CNC(=O)c3ccon3)[C@H](O)C2)nc1=O	ZINC000957897987	664223080	/nfs/dbraw/zinc/22/30/80/664223080.db2.gz	LOIDRVWURHSPHF-PSASIEDQSA-N	-1	1	322.325	-1.681	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](CNC(=O)C3CC=CC3)[C@H](O)C2)nc1=O	ZINC000957943625	664227665	/nfs/dbraw/zinc/22/76/65/664227665.db2.gz	KBYWUUKSCIQFQY-VXGBXAGGSA-N	-1	1	321.381	-1.017	20	0		DAADMM
CN(C)C(=O)CN1C[C@H](O)[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC000957997513	664229395	/nfs/dbraw/zinc/22/93/95/664229395.db2.gz	ZFXFXQNQEHPRCH-JQWIXIFHSA-N	-1	1	322.365	-1.102	20	0		DAADMM
CN(C)C(=O)CN1C[C@@H](O)[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC000957997512	664229666	/nfs/dbraw/zinc/22/96/66/664229666.db2.gz	ZFXFXQNQEHPRCH-CMPLNLGQSA-N	-1	1	322.365	-1.102	20	0		DAADMM
Cn1[n-]c(CN2C[C@H](O)[C@H](CNC(=O)c3cc[nH]c3)C2)nc1=O	ZINC000958086452	664236712	/nfs/dbraw/zinc/23/67/12/664236712.db2.gz	UVZGTQFYQZDNLJ-MNOVXSKESA-N	-1	1	320.353	-1.341	20	0		DAADMM
Cn1[n-]c(CN2C[C@H](O)[C@@H](CNC(=O)c3cc[nH]c3)C2)nc1=O	ZINC000958086453	664237017	/nfs/dbraw/zinc/23/70/17/664237017.db2.gz	UVZGTQFYQZDNLJ-QWRGUYRKSA-N	-1	1	320.353	-1.341	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnccn2)nc1=O	ZINC000958120298	664237715	/nfs/dbraw/zinc/23/77/15/664237715.db2.gz	RXZNVCLSARRZJN-GDGBQDQQSA-N	-1	1	315.337	-1.241	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cnnn2)nc1=O	ZINC000958193091	664243444	/nfs/dbraw/zinc/24/34/44/664243444.db2.gz	ODCUUAYMPWJSGS-VROVMSAKSA-N	-1	1	319.329	-2.659	20	0		DAADMM
O=C(NC[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cnn[n-]1	ZINC000958207160	664246578	/nfs/dbraw/zinc/24/65/78/664246578.db2.gz	SKXIOTRZWLRHJQ-HTRCEHHLSA-N	-1	1	308.302	-2.149	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2COCCO2)nc1=O	ZINC000958269219	664252064	/nfs/dbraw/zinc/25/20/64/664252064.db2.gz	SSOWQDJKMZPONY-MIZYBKAJSA-N	-1	1	323.353	-1.930	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCOC2)nc1=O	ZINC000958362574	664261758	/nfs/dbraw/zinc/26/17/58/664261758.db2.gz	ZOIBWYXPHIUEKW-SVDPJWKOSA-N	-1	1	307.354	-1.309	20	0		DAADMM
O=C(NC[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ncn[n-]1	ZINC000958503809	664275089	/nfs/dbraw/zinc/27/50/89/664275089.db2.gz	SWASPIOGRSAFAL-RQJHMYQMSA-N	-1	1	308.302	-2.149	20	0		DAADMM
CN(C(=O)c1ncccc1[O-])[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O	ZINC000958830731	664295007	/nfs/dbraw/zinc/29/50/07/664295007.db2.gz	HSSGRPHHSLNQPK-CBAPKCEASA-N	-1	1	308.294	-2.084	20	0		DAADMM
O=C(Cn1ncnn1)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC000960014642	664314467	/nfs/dbraw/zinc/31/44/67/664314467.db2.gz	XUJYMVFHTJAWTB-VIFPVBQESA-N	-1	1	321.345	-1.332	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](NC(C)=O)[C@@H](O)C1	ZINC000961062907	664330248	/nfs/dbraw/zinc/33/02/48/664330248.db2.gz	CJKIIYKXAFKJNW-RQJHMYQMSA-N	-1	1	312.282	-1.782	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2csnn2)nc1=O	ZINC000961360376	664338149	/nfs/dbraw/zinc/33/81/49/664338149.db2.gz	FMQXRFQBAPAZGG-MTBHXBHISA-N	-1	1	321.366	-1.180	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2[C@@H]3COC[C@@H]32)nc1=O	ZINC000961550733	664346546	/nfs/dbraw/zinc/34/65/46/664346546.db2.gz	KVZCWKFUHPCDQH-OFIBXOCSSA-N	-1	1	319.365	-1.453	20	0		DAADMM
NC(=O)C(=O)N[C@@H]1[C@H]2CN(Cc3cc(=O)n4[n-]ccc4n3)C[C@H]21	ZINC000961639602	664349285	/nfs/dbraw/zinc/34/92/85/664349285.db2.gz	LYOMANXHYLGGCT-GDGBQDQQSA-N	-1	1	316.321	-1.946	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2ncc[nH]2)nc1=O	ZINC000962133423	664368267	/nfs/dbraw/zinc/36/82/67/664368267.db2.gz	GSQINGVZACVXFV-WOFXILAISA-N	-1	1	317.353	-1.379	20	0		DAADMM
NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000962285542	664372394	/nfs/dbraw/zinc/37/23/94/664372394.db2.gz	DUKPWJAOZCMKJQ-IIDWOEFGSA-N	-1	1	317.309	-2.437	20	0		DAADMM
CC(=O)NC[C@H]1COCCN1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000964039660	664398769	/nfs/dbraw/zinc/39/87/69/664398769.db2.gz	AZCYMMMMDUTHAR-NSHDSACASA-N	-1	1	324.337	-1.710	20	0		DAADMM
CC(=O)NC[C@@H]1COCCN1C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000964052124	664399203	/nfs/dbraw/zinc/39/92/03/664399203.db2.gz	WSZAYLGVXRWORM-SECBINFHSA-N	-1	1	320.309	-1.605	20	0		DAADMM
NC(=O)C(=O)N1CCOC[C@@H]1CNC(=O)c1ncccc1[O-]	ZINC000964154864	664402004	/nfs/dbraw/zinc/40/20/04/664402004.db2.gz	NAKLDDRDBPMBHZ-QMMMGPOBSA-N	-1	1	308.294	-1.770	20	0		DAADMM
CC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000964262955	664406215	/nfs/dbraw/zinc/40/62/15/664406215.db2.gz	FUAKERICPCDRLP-VIFPVBQESA-N	-1	1	320.309	-1.605	20	0		DAADMM
NC(=O)C(=O)N1CC2(C1)C[C@@H](NC(=O)c1ncccc1[O-])CO2	ZINC000965681712	664428459	/nfs/dbraw/zinc/42/84/59/664428459.db2.gz	KJMKIZJMWSCHSG-MRVPVSSYSA-N	-1	1	320.305	-1.628	20	0		DAADMM
CC(=O)N[C@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1C	ZINC000966593719	664447061	/nfs/dbraw/zinc/44/70/61/664447061.db2.gz	PMZUSNIYXJVQHM-KOLCDFICSA-N	-1	1	308.338	-1.090	20	0		DAADMM
O=C(N[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@@H]1O)c1cnn[nH]1	ZINC000968694106	664482392	/nfs/dbraw/zinc/48/23/92/664482392.db2.gz	AEZUGDMHQLQXQC-QNSHHTMESA-N	-1	1	322.325	-2.368	20	0		DAADMM
O=C(N[C@@H]1CN(C(=O)c2ccc(F)cn2)C[C@@H]1O)c1cnn[nH]1	ZINC000968694217	664482760	/nfs/dbraw/zinc/48/27/60/664482760.db2.gz	BWWBOWASYOEOGW-MNOVXSKESA-N	-1	1	320.284	-1.046	20	0		DAADMM
O=C(N[C@@H]1CN(C(=O)c2cncc(F)c2)C[C@@H]1O)c1cnn[nH]1	ZINC000968694279	664482806	/nfs/dbraw/zinc/48/28/06/664482806.db2.gz	DYCOMSSDKMHALR-MNOVXSKESA-N	-1	1	320.284	-1.046	20	0		DAADMM
O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)c1cn[nH]n1	ZINC000968694441	664483453	/nfs/dbraw/zinc/48/34/53/664483453.db2.gz	LFSCOMPBZYLTDX-SCZZXKLOSA-N	-1	1	318.293	-1.479	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)nc1=O	ZINC001006920862	664493421	/nfs/dbraw/zinc/49/34/21/664493421.db2.gz	RUFUZGNYPAZFPG-NXEZZACHSA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)nc1=O	ZINC001007258521	664494237	/nfs/dbraw/zinc/49/42/37/664494237.db2.gz	KHVZBAKDJFTPJJ-BDAKNGLRSA-N	-1	1	324.341	-1.703	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H](NC(=O)Cn3ncnn3)C2)nc1=O	ZINC001007339077	664494638	/nfs/dbraw/zinc/49/46/38/664494638.db2.gz	OYMABKZICUCMEL-SECBINFHSA-N	-1	1	321.345	-2.124	20	0		DAADMM
Cn1ncc(C(=O)N[C@H]2CCCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001008864838	664504603	/nfs/dbraw/zinc/50/46/03/664504603.db2.gz	YBVAYSZYAYHFCZ-VIFPVBQESA-N	-1	1	320.357	-1.369	20	0		DAADMM
NC(=O)CN1CCC[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001009206002	664505974	/nfs/dbraw/zinc/50/59/74/664505974.db2.gz	VRLPPGWPMUTMEE-MRVPVSSYSA-N	-1	1	319.325	-1.903	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)nc1=O	ZINC001009264763	664506719	/nfs/dbraw/zinc/50/67/19/664506719.db2.gz	RUFUZGNYPAZFPG-ZJUUUORDSA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3cnsn3)C2)nc1=O	ZINC001010320740	664514751	/nfs/dbraw/zinc/51/47/51/664514751.db2.gz	YYBDHEMQLAHDNL-ZETCQYMHSA-N	-1	1	309.355	-1.036	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)nc1=O	ZINC001010378792	664514789	/nfs/dbraw/zinc/51/47/89/664514789.db2.gz	AGNVXCIHXPDVHI-RKDXNWHRSA-N	-1	1	308.342	-1.923	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)Cc3cc[nH]n3)C2)nc1=O	ZINC001010404017	664515290	/nfs/dbraw/zinc/51/52/90/664515290.db2.gz	FXXPGGSCHCHJMS-SNVBAGLBSA-N	-1	1	305.342	-1.235	20	0		DAADMM
Cc1c(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)nnn1C	ZINC001010418624	664515572	/nfs/dbraw/zinc/51/55/72/664515572.db2.gz	MYFXNHQRHPZAOR-VIFPVBQESA-N	-1	1	320.357	-1.450	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)CN3CN=NC3=O)C2)nc1=O	ZINC001010668937	664517138	/nfs/dbraw/zinc/51/71/38/664517138.db2.gz	LUVSPZXOMFYEJN-QMMMGPOBSA-N	-1	1	322.329	-2.204	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3cncnc3)C2)nc1=O	ZINC001010714341	664518794	/nfs/dbraw/zinc/51/87/94/664518794.db2.gz	VXCZGQHGGXCERG-JTQLQIEISA-N	-1	1	303.326	-1.097	20	0		DAADMM
CC(=O)N1CC(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)C1	ZINC001010756133	664519399	/nfs/dbraw/zinc/51/93/99/664519399.db2.gz	XEQKUOPZQAIOOB-NSHDSACASA-N	-1	1	322.369	-1.723	20	0		DAADMM
Cn1nccc1CC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001010788660	664519474	/nfs/dbraw/zinc/51/94/74/664519474.db2.gz	JQZOGGMFSCSBMD-JTQLQIEISA-N	-1	1	319.369	-1.225	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)Cc3cncnc3)C2)nc1=O	ZINC001010801264	664519608	/nfs/dbraw/zinc/51/96/08/664519608.db2.gz	PKTJNFIHAFOELN-NSHDSACASA-N	-1	1	317.353	-1.168	20	0		DAADMM
Cc1nnc(CC(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)o1	ZINC001010878482	664522004	/nfs/dbraw/zinc/52/20/04/664522004.db2.gz	UJVSAFOAKPLURA-VIFPVBQESA-N	-1	1	321.341	-1.267	20	0		DAADMM
Cc1nnc(CC(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)o1	ZINC001010878481	664522233	/nfs/dbraw/zinc/52/22/33/664522233.db2.gz	UJVSAFOAKPLURA-SECBINFHSA-N	-1	1	321.341	-1.267	20	0		DAADMM
CN1CC[C@H](C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)C1=O	ZINC001038628309	664546981	/nfs/dbraw/zinc/54/69/81/664546981.db2.gz	LZVPWYHFSDDJCC-VHSXEESVSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CCn1ncc(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001014353830	664553116	/nfs/dbraw/zinc/55/31/16/664553116.db2.gz	FKGSBCYGQRAGFJ-SECBINFHSA-N	-1	1	320.357	-1.276	20	0		DAADMM
Cn1ccc(CC(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001014404620	664553753	/nfs/dbraw/zinc/55/37/53/664553753.db2.gz	FZWPHJSCESXRKU-NSHDSACASA-N	-1	1	319.369	-1.225	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)Cn3nccn3)C2)nc1=O	ZINC001014563988	664555877	/nfs/dbraw/zinc/55/58/77/664555877.db2.gz	IDBYCRDNBAVIRU-SECBINFHSA-N	-1	1	306.330	-1.909	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)Cn3nccn3)C2)nc1=O	ZINC001014563992	664555964	/nfs/dbraw/zinc/55/59/64/664555964.db2.gz	IDBYCRDNBAVIRU-VIFPVBQESA-N	-1	1	306.330	-1.909	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)C[C@H]3CCNC3=O)C2)nc1=O	ZINC001014711468	664556604	/nfs/dbraw/zinc/55/66/04/664556604.db2.gz	NXGTVOUYNRYPPD-ZJUUUORDSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@H]3CCC(=O)NC3)C2)nc1=O	ZINC001015040299	664559572	/nfs/dbraw/zinc/55/95/72/664559572.db2.gz	ARBBWSNZOSTVDS-VHSXEESVSA-N	-1	1	322.369	-1.675	20	0		DAADMM
O=C(N[C@H]1CCN(CCn2cccn2)C1)c1n[nH]c(=O)[n-]c1=O	ZINC001015109013	664560466	/nfs/dbraw/zinc/56/04/66/664560466.db2.gz	GRBSESPPLFBVRH-VIFPVBQESA-N	-1	1	319.325	-1.016	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3csnn3)C2)nc1=O	ZINC001015425263	664563170	/nfs/dbraw/zinc/56/31/70/664563170.db2.gz	SFTRVTDCWYPZMC-SSDOTTSWSA-N	-1	1	309.355	-1.036	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3c[nH]c(=O)n3C)C2)nc1=O	ZINC001015525827	664564398	/nfs/dbraw/zinc/56/43/98/664564398.db2.gz	WGPRALHRMWINOM-QMMMGPOBSA-N	-1	1	321.341	-1.448	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3c[nH]c(=O)n3C)C2)nc1=O	ZINC001015525825	664564502	/nfs/dbraw/zinc/56/45/02/664564502.db2.gz	WGPRALHRMWINOM-MRVPVSSYSA-N	-1	1	321.341	-1.448	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3C)C2)nc1=O	ZINC001015602974	664565782	/nfs/dbraw/zinc/56/57/82/664565782.db2.gz	ZSCGLUQUHCXKIM-NXEZZACHSA-N	-1	1	322.369	-1.580	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)nc1=O	ZINC001015634547	664566205	/nfs/dbraw/zinc/56/62/05/664566205.db2.gz	MGHDCNWMBDYEQI-YUMQZZPRSA-N	-1	1	309.330	-2.520	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@]3(C)CCC(=O)N3)C2)nc1=O	ZINC001015662034	664566775	/nfs/dbraw/zinc/56/67/75/664566775.db2.gz	JDGNMSZJOBJZES-OTYXRUKQSA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@@]3(C)CCNC3=O)C2)nc1=O	ZINC001015695728	664566872	/nfs/dbraw/zinc/56/68/72/664566872.db2.gz	OBPRLZZCBPGBCH-OTYXRUKQSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@]3(C)CCNC3=O)C2)nc1=O	ZINC001015695727	664566994	/nfs/dbraw/zinc/56/69/94/664566994.db2.gz	OBPRLZZCBPGBCH-LKFCYVNXSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3n[nH]cc3F)C2)nc1=O	ZINC001015670825	664567083	/nfs/dbraw/zinc/56/70/83/664567083.db2.gz	SCLFAKJHTSORGC-SSDOTTSWSA-N	-1	1	309.305	-1.025	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)Cc3c[nH]cn3)C2)nc1=O	ZINC001015766293	664567408	/nfs/dbraw/zinc/56/74/08/664567408.db2.gz	WIYFZABTYYIXQQ-SECBINFHSA-N	-1	1	305.342	-1.235	20	0		DAADMM
C[C@H](O)CN1CC[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001015865151	664568705	/nfs/dbraw/zinc/56/87/05/664568705.db2.gz	RIOMQRSZGBTHIY-UWVGGRQHSA-N	-1	1	320.353	-1.358	20	0		DAADMM
C[C@@H](O)CN1CC[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001015865150	664568891	/nfs/dbraw/zinc/56/88/91/664568891.db2.gz	RIOMQRSZGBTHIY-NXEZZACHSA-N	-1	1	320.353	-1.358	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)Cc3ncc[nH]3)C2)nc1=O	ZINC001015901771	664569590	/nfs/dbraw/zinc/56/95/90/664569590.db2.gz	ACQUBMWWTYFYTC-SECBINFHSA-N	-1	1	305.342	-1.235	20	0		DAADMM
Cn1cncc1CC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001015999570	664570759	/nfs/dbraw/zinc/57/07/59/664570759.db2.gz	VQTJDUKHUNNLOB-SNVBAGLBSA-N	-1	1	319.369	-1.225	20	0		DAADMM
Cc1nonc1C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001016409751	664574282	/nfs/dbraw/zinc/57/42/82/664574282.db2.gz	CEZUPYHTTMQUCJ-MRVPVSSYSA-N	-1	1	307.314	-1.196	20	0		DAADMM
NC(=O)CN1CCC2(C[C@H]2NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001016708945	664576583	/nfs/dbraw/zinc/57/65/83/664576583.db2.gz	KARZRGJXTXSSHD-SSDOTTSWSA-N	-1	1	322.325	-1.648	20	0		DAADMM
Cc1c(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)nnn1C	ZINC001018659853	664588881	/nfs/dbraw/zinc/58/88/81/664588881.db2.gz	RYXMDLVJVKBVCH-QMMMGPOBSA-N	-1	1	306.330	-1.048	20	0		DAADMM
CN1C[C@H](C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)CC1=O	ZINC001018934212	664591868	/nfs/dbraw/zinc/59/18/68/664591868.db2.gz	IXFFUVDOAXOCSR-BDAKNGLRSA-N	-1	1	308.342	-1.321	20	0		DAADMM
O=C([C@H]1CCC(=O)NC1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019073834	664594007	/nfs/dbraw/zinc/59/40/07/664594007.db2.gz	KEGFNHLCONXIDY-IUCAKERBSA-N	-1	1	308.342	-1.273	20	0		DAADMM
CN1CC[C@@H](C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)C1=O	ZINC001019262844	664597098	/nfs/dbraw/zinc/59/70/98/664597098.db2.gz	VRTJHOADOYWBPR-DTWKUNHWSA-N	-1	1	308.342	-1.321	20	0		DAADMM
O=C(c1c[nH]c(=O)cn1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019302043	664597453	/nfs/dbraw/zinc/59/74/53/664597453.db2.gz	PFYLTTAHJRJHQA-ZETCQYMHSA-N	-1	1	305.298	-1.402	20	0		DAADMM
NC(=O)C(=O)N1CC2(C1)CCN(C(=O)c1ncccc1[O-])C2	ZINC001019354009	664598901	/nfs/dbraw/zinc/59/89/01/664598901.db2.gz	KCDPZGRPEUZWNS-UHFFFAOYSA-N	-1	1	304.306	-1.053	20	0		DAADMM
O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019444153	664600809	/nfs/dbraw/zinc/60/08/09/664600809.db2.gz	KPSDYONCQBMZRX-BQBZGAKWSA-N	-1	1	323.313	-2.201	20	0		DAADMM
O=C(C[C@@H]1CCC(=O)N1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019506292	664601808	/nfs/dbraw/zinc/60/18/08/664601808.db2.gz	WHMKFJOTNJITNI-IUCAKERBSA-N	-1	1	308.342	-1.131	20	0		DAADMM
O=C(C[C@H]1CCC(=O)N1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019506291	664601883	/nfs/dbraw/zinc/60/18/83/664601883.db2.gz	WHMKFJOTNJITNI-BDAKNGLRSA-N	-1	1	308.342	-1.131	20	0		DAADMM
Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001038374418	664612870	/nfs/dbraw/zinc/61/28/70/664612870.db2.gz	QYUIDLGQMLLZDE-QMMMGPOBSA-N	-1	1	321.341	-1.150	20	0		DAADMM
Cc1nc(CN2CC[C@@H]2CNC(=O)c2n[nH]c(=O)[n-]c2=O)n[nH]1	ZINC001038465948	664613544	/nfs/dbraw/zinc/61/35/44/664613544.db2.gz	ORMJEXGLNQGMDT-SSDOTTSWSA-N	-1	1	320.313	-1.286	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)c2n[nH]cc2F)nc1=O	ZINC001038671709	664616167	/nfs/dbraw/zinc/61/61/67/664616167.db2.gz	WFJMADOOZPGXEY-SSDOTTSWSA-N	-1	1	309.305	-1.025	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)c2ccnnc2)nc1=O	ZINC001038741777	664616542	/nfs/dbraw/zinc/61/65/42/664616542.db2.gz	BKUCADKJQSYZIP-JTQLQIEISA-N	-1	1	303.326	-1.097	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCCNC1=O	ZINC000912538100	677818507	/nfs/dbraw/zinc/81/85/07/677818507.db2.gz	NVTRAIIIMPNUCJ-ZETCQYMHSA-N	-1	1	302.312	-1.247	20	0		DAADMM
COCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC001081178422	678053734	/nfs/dbraw/zinc/05/37/34/678053734.db2.gz	NGUCATQBXRMJAT-MWLCHTKSSA-N	-1	1	309.322	-1.017	20	0		DAADMM
COCC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001081178423	678053774	/nfs/dbraw/zinc/05/37/74/678053774.db2.gz	NGUCATQBXRMJAT-ONGXEEELSA-N	-1	1	309.322	-1.017	20	0		DAADMM
C[C@H](NC(=O)c1cn(C)nn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000969612243	677681416	/nfs/dbraw/zinc/68/14/16/677681416.db2.gz	JFXFZRMZVWKWKW-QMMMGPOBSA-N	-1	1	320.357	-1.513	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)nc1=O	ZINC001028519761	677690192	/nfs/dbraw/zinc/69/01/92/677690192.db2.gz	SNOHAADQTOJTGB-BDAKNGLRSA-N	-1	1	324.341	-1.845	20	0		DAADMM
Cn1cnc(C(=O)NC[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001028521883	677690323	/nfs/dbraw/zinc/69/03/23/677690323.db2.gz	NADVWNGNCLKOOO-SECBINFHSA-N	-1	1	320.357	-1.511	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3ccc[nH]3)[C@@H](O)C2)nc1=O	ZINC001083336669	677690770	/nfs/dbraw/zinc/69/07/70/677690770.db2.gz	HOLWVSRJJPGXKR-ZJUUUORDSA-N	-1	1	306.326	-1.588	20	0		DAADMM
Cc1ccoc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001083341474	677690886	/nfs/dbraw/zinc/69/08/86/677690886.db2.gz	CFRYWMPHDRLLAG-ZJUUUORDSA-N	-1	1	321.337	-1.015	20	0		DAADMM
Cc1ocnc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001083361378	677691606	/nfs/dbraw/zinc/69/16/06/677691606.db2.gz	ORPHDSGVMRFGMZ-BDAKNGLRSA-N	-1	1	322.325	-1.620	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)[C@H]3CCOC3)[C@@H](O)C2)nc1=O	ZINC001083361559	677691647	/nfs/dbraw/zinc/69/16/47/677691647.db2.gz	UPUGRLMQVPZEJM-AEJSXWLSSA-N	-1	1	311.342	-2.194	20	0		DAADMM
Cc1ncoc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001083394696	677693498	/nfs/dbraw/zinc/69/34/98/677693498.db2.gz	FMUBIJBMKQPDLB-BDAKNGLRSA-N	-1	1	322.325	-1.620	20	0		DAADMM
C[C@@H](C(N)=O)N1CC[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1	ZINC001028734270	677693758	/nfs/dbraw/zinc/69/37/58/677693758.db2.gz	TXMSVLBNIOMMTE-IUCAKERBSA-N	-1	1	323.353	-1.589	20	0		DAADMM
CNC(=O)CN1CC[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1	ZINC001028733498	677693779	/nfs/dbraw/zinc/69/37/79/677693779.db2.gz	YEBNXMIZRFYAGW-VIFPVBQESA-N	-1	1	323.353	-1.716	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](CNC(=O)[C@@H]3CCNC3=O)C2)nc1=O	ZINC001028734604	677693822	/nfs/dbraw/zinc/69/38/22/677693822.db2.gz	BDVUYJQDENFHDI-VHSXEESVSA-N	-1	1	322.369	-1.817	20	0		DAADMM
C[C@@H](C(N)=O)N1CC[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1	ZINC001028734269	677693894	/nfs/dbraw/zinc/69/38/94/677693894.db2.gz	TXMSVLBNIOMMTE-DTWKUNHWSA-N	-1	1	323.353	-1.589	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)C3=CCCC3)[C@@H](O)C2)nc1=O	ZINC001083403728	677694980	/nfs/dbraw/zinc/69/49/80/677694980.db2.gz	LIYJHYKYPJQWPE-MNOVXSKESA-N	-1	1	307.354	-1.120	20	0		DAADMM
Cn1cnc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)c1	ZINC001083404777	677695347	/nfs/dbraw/zinc/69/53/47/677695347.db2.gz	FSNYVADUZYWIPN-SCZZXKLOSA-N	-1	1	321.341	-2.183	20	0		DAADMM
Cn1ccc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)c1	ZINC001083406069	677695372	/nfs/dbraw/zinc/69/53/72/677695372.db2.gz	OTIWBUHRPKOXMF-MNOVXSKESA-N	-1	1	320.353	-1.578	20	0		DAADMM
Cc1nc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)co1	ZINC001083420335	677699608	/nfs/dbraw/zinc/69/96/08/677699608.db2.gz	ZBMKUHMUFGOIPY-SCZZXKLOSA-N	-1	1	322.325	-1.620	20	0		DAADMM
CN(C(=O)Cc1ccon1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042556376	677700783	/nfs/dbraw/zinc/70/07/83/677700783.db2.gz	GEVYZDQPWDXHHC-UHFFFAOYSA-N	-1	1	306.326	-1.018	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1	ZINC001029720961	677703389	/nfs/dbraw/zinc/70/33/89/677703389.db2.gz	OWUHCPAYXOMLBA-RKDXNWHRSA-N	-1	1	324.341	-1.101	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1	ZINC001029720959	677703413	/nfs/dbraw/zinc/70/34/13/677703413.db2.gz	OWUHCPAYXOMLBA-DTWKUNHWSA-N	-1	1	324.341	-1.101	20	0		DAADMM
Cc1cc[nH]c1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001083437077	677712966	/nfs/dbraw/zinc/71/29/66/677712966.db2.gz	ZMLYACAFFBNGED-ZJUUUORDSA-N	-1	1	320.353	-1.280	20	0		DAADMM
Cc1nc(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)n[nH]1	ZINC001083450741	677717126	/nfs/dbraw/zinc/71/71/26/677717126.db2.gz	HYRDQPQJYVTPFB-SFYZADRCSA-N	-1	1	322.329	-2.159	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)Cn3nccn3)[C@@H](O)C2)nc1=O	ZINC001083493721	677726908	/nfs/dbraw/zinc/72/69/08/677726908.db2.gz	QHKUPJQNLRSCOF-BDAKNGLRSA-N	-1	1	322.329	-2.939	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C(C)(C)F)C2)nc1=O	ZINC001076675998	677748881	/nfs/dbraw/zinc/74/88/81/677748881.db2.gz	AZKKLSDOIDVRDX-HTQZYQBOSA-N	-1	1	301.322	-1.482	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3ccc[nH]3)C2)nc1=O	ZINC001076736194	677752950	/nfs/dbraw/zinc/75/29/50/677752950.db2.gz	HOLWVSRJJPGXKR-NXEZZACHSA-N	-1	1	306.326	-1.588	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)nc1=O	ZINC001076741271	677753166	/nfs/dbraw/zinc/75/31/66/677753166.db2.gz	CFQCTYRMEPYLFT-NXEZZACHSA-N	-1	1	321.341	-2.334	20	0		DAADMM
Cn1nccc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001076799268	677757878	/nfs/dbraw/zinc/75/78/78/677757878.db2.gz	PIQITRAJGKXILD-PSASIEDQSA-N	-1	1	321.341	-2.183	20	0		DAADMM
Cc1ncc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)[nH]1	ZINC001076813465	677759489	/nfs/dbraw/zinc/75/94/89/677759489.db2.gz	JBZPTDNEKCNYEZ-NXEZZACHSA-N	-1	1	321.341	-1.885	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)nc1=O	ZINC001076818949	677759792	/nfs/dbraw/zinc/75/97/92/677759792.db2.gz	VXXWQPJVKMFHEC-NXEZZACHSA-N	-1	1	322.325	-2.000	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CC3CCC3)C2)nc1=O	ZINC001076838999	677761794	/nfs/dbraw/zinc/76/17/94/677761794.db2.gz	WKMJYWWBTKGYLV-GHMZBOCLSA-N	-1	1	309.370	-1.040	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC3(C)C)C2)nc1=O	ZINC001076885895	677765038	/nfs/dbraw/zinc/76/50/38/677765038.db2.gz	QMHAZFKEPMNFGN-OPRDCNLKSA-N	-1	1	309.370	-1.184	20	0		DAADMM
Cn1cnnc1CN1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001076916651	677769232	/nfs/dbraw/zinc/76/92/32/677769232.db2.gz	VYXNYHXWUURMHD-MWLCHTKSSA-N	-1	1	318.337	-1.109	20	0		DAADMM
CN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)c3ncccc3[O-])C2)C1=O	ZINC001076917041	677769389	/nfs/dbraw/zinc/76/93/89/677769389.db2.gz	NWBNAVGUWSEXDW-CKYFFXLPSA-N	-1	1	320.349	-1.207	20	0		DAADMM
Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)c3ncccc3[O-])C2)nn1	ZINC001076916894	677769490	/nfs/dbraw/zinc/76/94/90/677769490.db2.gz	HJVSBSWJKKOROP-ZYHUDNBSSA-N	-1	1	318.337	-1.109	20	0		DAADMM
O=C(N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1O)c1ncccc1[O-]	ZINC001076916890	677769601	/nfs/dbraw/zinc/76/96/01/677769601.db2.gz	HDPOIFZUSHQNSW-FXPVBKGRSA-N	-1	1	306.322	-1.549	20	0		DAADMM
Cc1cc[nH]c1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001076950616	677772266	/nfs/dbraw/zinc/77/22/66/677772266.db2.gz	ZMLYACAFFBNGED-NXEZZACHSA-N	-1	1	320.353	-1.280	20	0		DAADMM
C[C@@H](CCNC(=O)c1cnn[nH]1)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001077294087	677797982	/nfs/dbraw/zinc/79/79/82/677797982.db2.gz	JKQVIKMJNUOAIG-YFKPBYRVSA-N	-1	1	322.285	-1.661	20	0		DAADMM
CO[C@@H](C)CN1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001077310874	677798649	/nfs/dbraw/zinc/79/86/49/677798649.db2.gz	GGZHGWRWWKNFAX-XLPZGREQSA-N	-1	1	313.314	-1.907	20	0		DAADMM
C[C@@H](F)CCN1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001077310866	677798842	/nfs/dbraw/zinc/79/88/42/677798842.db2.gz	GAPVPFHEQZMRBH-BWZBUEFSSA-N	-1	1	315.305	-1.194	20	0		DAADMM
CO[C@H](C)CN1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001077310873	677798968	/nfs/dbraw/zinc/79/89/68/677798968.db2.gz	GGZHGWRWWKNFAX-BWZBUEFSSA-N	-1	1	313.314	-1.907	20	0		DAADMM
COC[C@H](CCO)[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC	ZINC000912543392	677819582	/nfs/dbraw/zinc/81/95/82/677819582.db2.gz	VZNMFOITPIUCJJ-ZETCQYMHSA-N	-1	1	307.328	-1.128	20	0		DAADMM
NC(=O)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC000991423376	677821709	/nfs/dbraw/zinc/82/17/09/677821709.db2.gz	ILXQZFDTFWBQDL-APPZFPTMSA-N	-1	1	308.294	-2.036	20	0		DAADMM
NC(=O)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC000991423381	677821743	/nfs/dbraw/zinc/82/17/43/677821743.db2.gz	ILXQZFDTFWBQDL-CBAPKCEASA-N	-1	1	308.294	-2.036	20	0		DAADMM
Cc1cocc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001083701169	677840284	/nfs/dbraw/zinc/84/02/84/677840284.db2.gz	NVTVFNKWXRDLKB-MNOVXSKESA-N	-1	1	321.337	-1.015	20	0		DAADMM
Cc1nocc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001083743537	677853730	/nfs/dbraw/zinc/85/37/30/677853730.db2.gz	VXYFPMUYSZCMBZ-ZJUUUORDSA-N	-1	1	322.325	-1.620	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)C3CC4(CC4)C3)[C@@H](O)C2)nc1=O	ZINC001083766618	677859314	/nfs/dbraw/zinc/85/93/14/677859314.db2.gz	LSJSAQATSYFUPO-MNOVXSKESA-N	-1	1	321.381	-1.040	20	0		DAADMM
C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)c1cnn[nH]1	ZINC001077578961	677862485	/nfs/dbraw/zinc/86/24/85/677862485.db2.gz	FEEQVYYDVZNAKP-YFKPBYRVSA-N	-1	1	322.285	-1.661	20	0		DAADMM
C[C@@H]1CCN(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)C1	ZINC001083780894	677863303	/nfs/dbraw/zinc/86/33/03/677863303.db2.gz	OENSSDYGBFRBSC-MXWKQRLJSA-N	-1	1	324.385	-1.487	20	0		DAADMM
C[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001077796570	677882185	/nfs/dbraw/zinc/88/21/85/677882185.db2.gz	KEYPAYFWANKTLE-JMJZKYOTSA-N	-1	1	321.337	-1.822	20	0		DAADMM
COCCN1C[C@@H](O)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001077796455	677882203	/nfs/dbraw/zinc/88/22/03/677882203.db2.gz	DOAACERRJIYBLM-GHMZBOCLSA-N	-1	1	321.337	-1.556	20	0		DAADMM
Cc1c[nH]c(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)n1	ZINC001077812703	677882749	/nfs/dbraw/zinc/88/27/49/677882749.db2.gz	OKOMFXOBXLCMTK-RKDXNWHRSA-N	-1	1	321.341	-1.885	20	0		DAADMM
CN1C[C@H](C(=O)N2CCC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)NC1=O	ZINC000999890936	677892547	/nfs/dbraw/zinc/89/25/47/677892547.db2.gz	OOQDFWQTDXNCBC-RKDXNWHRSA-N	-1	1	323.357	-1.386	20	0		DAADMM
O=C([C@H]1CCNC1=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000999893220	677892614	/nfs/dbraw/zinc/89/26/14/677892614.db2.gz	HOTJTVNIDUVXPS-IUCAKERBSA-N	-1	1	308.342	-1.273	20	0		DAADMM
CN1C[C@@H](C(=O)N2CCC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)NC1=O	ZINC000999890933	677892620	/nfs/dbraw/zinc/89/26/20/677892620.db2.gz	OOQDFWQTDXNCBC-BDAKNGLRSA-N	-1	1	323.357	-1.386	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3cccnn3)C2)nc1=O	ZINC001077883813	677894448	/nfs/dbraw/zinc/89/44/48/677894448.db2.gz	PALZINBPCRIEPP-NXEZZACHSA-N	-1	1	319.325	-2.127	20	0		DAADMM
Cc1nonc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001078277664	677922594	/nfs/dbraw/zinc/92/25/94/677922594.db2.gz	JYFVRJVTCXQDSO-HTQZYQBOSA-N	-1	1	323.313	-2.225	20	0		DAADMM
NC(=O)CC(=O)N1CCCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001078362309	677924017	/nfs/dbraw/zinc/92/40/17/677924017.db2.gz	TZSRZJAXWDQNQR-QMMMGPOBSA-N	-1	1	312.330	-1.907	20	0		DAADMM
O=C(c1cnon1)N1CCCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001078488863	677927131	/nfs/dbraw/zinc/92/71/31/677927131.db2.gz	KTLJSNUGANZBRR-QMMMGPOBSA-N	-1	1	323.313	-1.086	20	0		DAADMM
NC(=O)CC(=O)NC[C@@H]1COCCN1C(=O)c1ncccc1[O-]	ZINC001061448514	677949758	/nfs/dbraw/zinc/94/97/58/677949758.db2.gz	HOGAVOLWUGTCBW-SECBINFHSA-N	-1	1	322.321	-1.380	20	0		DAADMM
NC(=O)C(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])CCO1	ZINC001065074343	678012616	/nfs/dbraw/zinc/01/26/16/678012616.db2.gz	VNEGNEGFTFGUHN-QMMMGPOBSA-N	-1	1	308.294	-1.770	20	0		DAADMM
NC(=O)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CCO1	ZINC001065074342	678012857	/nfs/dbraw/zinc/01/28/57/678012857.db2.gz	VNEGNEGFTFGUHN-MRVPVSSYSA-N	-1	1	308.294	-1.770	20	0		DAADMM
NC(=O)C(=O)NC1(CO)CCN(C(=O)c2ncccc2[O-])CC1	ZINC001080977605	678045879	/nfs/dbraw/zinc/04/58/79/678045879.db2.gz	QZCZBNCKBQCECJ-UHFFFAOYSA-N	-1	1	322.321	-1.644	20	0		DAADMM
CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1ccon1	ZINC001081392504	678073289	/nfs/dbraw/zinc/07/32/89/678073289.db2.gz	YMUZRBJGTCBSNW-NXEZZACHSA-N	-1	1	322.325	-1.274	20	0		DAADMM
CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@H]1CCCN1C	ZINC001081446127	678079866	/nfs/dbraw/zinc/07/98/66/678079866.db2.gz	PZNKNUZRSMDMON-GMTAPVOTSA-N	-1	1	324.385	-1.080	20	0		DAADMM
NC(=O)C(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001081713497	678097500	/nfs/dbraw/zinc/09/75/00/678097500.db2.gz	LSFCMIDPWUOOPA-CBAPKCEASA-N	-1	1	308.294	-2.178	20	0		DAADMM
CO[C@@H]1CN(C[C@H](C)O)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001081899533	678107703	/nfs/dbraw/zinc/10/77/03/678107703.db2.gz	WOGBECCOIQGYHG-XLPZGREQSA-N	-1	1	313.314	-1.907	20	0		DAADMM
CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)Cc1nnc[nH]1	ZINC001082316133	678114882	/nfs/dbraw/zinc/11/48/82/678114882.db2.gz	KTRBQBXOFHFZEE-HTQZYQBOSA-N	-1	1	322.329	-1.814	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082473090	678117459	/nfs/dbraw/zinc/11/74/59/678117459.db2.gz	UALVNFGVPSDSII-KXUCPTDWSA-N	-1	1	322.369	-1.027	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082496453	678117487	/nfs/dbraw/zinc/11/74/87/678117487.db2.gz	AJJXTVZCCGGDMG-BWZBUEFSSA-N	-1	1	310.314	-1.445	20	0		DAADMM
C[C@@H](C(N)=O)N1CCC2(CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1	ZINC001072897976	678165558	/nfs/dbraw/zinc/16/55/58/678165558.db2.gz	BPXLJKKSASUFCL-ZETCQYMHSA-N	-1	1	322.325	-1.696	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@H]1CCCCN1C(=O)C(N)=O	ZINC001074056131	678185662	/nfs/dbraw/zinc/18/56/62/678185662.db2.gz	AGBDLFZNQBFRMA-SECBINFHSA-N	-1	1	310.358	-1.593	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)[C@@H]1COC(=O)N1	ZINC001074631438	678198666	/nfs/dbraw/zinc/19/86/66/678198666.db2.gz	PSVBRMSJYQOKDC-FXQIFTODSA-N	-1	1	310.314	-1.302	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)[C@H]1COC(=O)N1	ZINC001074631437	678198960	/nfs/dbraw/zinc/19/89/60/678198960.db2.gz	PSVBRMSJYQOKDC-BIIVOSGPSA-N	-1	1	310.314	-1.302	20	0		DAADMM
NC(=O)C(=O)N1CCC(O)(CNC(=O)c2ncccc2[O-])CC1	ZINC001074702330	678202226	/nfs/dbraw/zinc/20/22/26/678202226.db2.gz	XIDVCVVHNTXOKY-UHFFFAOYSA-N	-1	1	322.321	-1.644	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)[C@@H]1CNC(=O)N1	ZINC001074844442	678205688	/nfs/dbraw/zinc/20/56/88/678205688.db2.gz	CKPRBFFZTUAKRE-FXQIFTODSA-N	-1	1	309.330	-1.729	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)c2cccnn2)nc1=O	ZINC001038847134	678220296	/nfs/dbraw/zinc/22/02/96/678220296.db2.gz	HXWYRYYEBPAOBS-SECBINFHSA-N	-1	1	303.326	-1.097	20	0		DAADMM
CCn1cc(C(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)nn1	ZINC001038853266	678220406	/nfs/dbraw/zinc/22/04/06/678220406.db2.gz	JKBQMDBCQXOWRA-SECBINFHSA-N	-1	1	320.357	-1.276	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)c2cccnn2)nc1=O	ZINC001038847135	678220572	/nfs/dbraw/zinc/22/05/72/678220572.db2.gz	HXWYRYYEBPAOBS-VIFPVBQESA-N	-1	1	303.326	-1.097	20	0		DAADMM
Cn1ccc(C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)n1	ZINC001039021920	678221263	/nfs/dbraw/zinc/22/12/63/678221263.db2.gz	MMICKCNZARVVDS-VIFPVBQESA-N	-1	1	305.342	-1.154	20	0		DAADMM
C[C@@H](C(N)=O)N1CC[C@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001038924157	678221482	/nfs/dbraw/zinc/22/14/82/678221482.db2.gz	XGHYMYIRODPVAF-YUMQZZPRSA-N	-1	1	319.325	-1.905	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H]1CCN1CC(N)=O	ZINC001038917195	678221493	/nfs/dbraw/zinc/22/14/93/678221493.db2.gz	NSGSYRBGUGURHC-ZCFIWIBFSA-N	-1	1	311.298	-1.814	20	0		DAADMM
CC(=O)N1CC[C@@](O)(CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001040308598	678238391	/nfs/dbraw/zinc/23/83/91/678238391.db2.gz	GSZCBJVRYLHFSU-CQSZACIVSA-N	-1	1	324.337	-1.974	20	0		DAADMM
CCC(=O)NCC1(O)CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001041026878	678261371	/nfs/dbraw/zinc/26/13/71/678261371.db2.gz	OGZHPEPCPGYGJP-UHFFFAOYSA-N	-1	1	320.309	-1.869	20	0		DAADMM
Cn1[n-]c(CN2CC[C@]3(CCN(C(=O)CC(N)=O)C3)C2)nc1=O	ZINC001041152675	678266542	/nfs/dbraw/zinc/26/65/42/678266542.db2.gz	NGVINIYQWWVJOC-AWEZNQCLSA-N	-1	1	322.369	-1.592	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)nc1=O	ZINC001041618956	678295012	/nfs/dbraw/zinc/29/50/12/678295012.db2.gz	VSBPOCAKYOHAQG-CYBMUJFWSA-N	-1	1	308.342	-1.982	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@H]32)nc1=O	ZINC001041987021	678309535	/nfs/dbraw/zinc/30/95/35/678309535.db2.gz	VXJFUVYELHCCHW-VHSXEESVSA-N	-1	1	322.369	-1.593	20	0		DAADMM
CN(C(=O)[C@@H]1COCCO1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042494707	678330053	/nfs/dbraw/zinc/33/00/53/678330053.db2.gz	LGVCPOMSEHHIOS-JTQLQIEISA-N	-1	1	311.342	-1.834	20	0		DAADMM
Cc1c(C(=O)N(C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)nnn1C	ZINC001042565680	678332259	/nfs/dbraw/zinc/33/22/59/678332259.db2.gz	GWJQYPYMBCWNIU-UHFFFAOYSA-N	-1	1	320.357	-1.498	20	0		DAADMM
CN(C(=O)[C@@H]1CCNC(=O)C1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042602275	678334049	/nfs/dbraw/zinc/33/40/49/678334049.db2.gz	PMIOYAJEDATMBY-SECBINFHSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN(C(=O)[C@H]1CCNC(=O)C1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042602276	678334077	/nfs/dbraw/zinc/33/40/77/678334077.db2.gz	PMIOYAJEDATMBY-VIFPVBQESA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN(C(=O)CN1CCOCC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042631150	678334625	/nfs/dbraw/zinc/33/46/25/678334625.db2.gz	WRSZSUYAXGJKLG-UHFFFAOYSA-N	-1	1	324.385	-1.917	20	0		DAADMM
CN(C(=O)c1ncn(C)n1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042688947	678338861	/nfs/dbraw/zinc/33/88/61/678338861.db2.gz	QTPAUZMGMLYXHU-UHFFFAOYSA-N	-1	1	306.330	-1.807	20	0		DAADMM
NC(=O)NCC(=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001042712572	678339840	/nfs/dbraw/zinc/33/98/40/678339840.db2.gz	CSKWUTPPRFZTEC-UHFFFAOYSA-N	-1	1	323.309	-2.241	20	0		DAADMM
CC(=O)NCC(=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001042713261	678339875	/nfs/dbraw/zinc/33/98/75/678339875.db2.gz	QQGHKVHSRILWOE-UHFFFAOYSA-N	-1	1	322.321	-1.774	20	0		DAADMM
CN(C(=O)c1cnc[nH]c1=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043030383	678361607	/nfs/dbraw/zinc/36/16/07/678361607.db2.gz	VQWZBXFANNLBBB-UHFFFAOYSA-N	-1	1	319.325	-1.440	20	0		DAADMM
CN(C(=O)[C@@]1(C)CNC(=O)C1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043441442	678380436	/nfs/dbraw/zinc/38/04/36/678380436.db2.gz	RYVQBWVIAJDDNR-CQSZACIVSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN(C(=O)[C@@H]1CC[C@@H]1C(N)=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043516194	678383273	/nfs/dbraw/zinc/38/32/73/678383273.db2.gz	HTYAJQRDUOBUNP-VHSXEESVSA-N	-1	1	322.369	-1.738	20	0		DAADMM
CCC(=O)N1CC(O)(CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001043895626	678404671	/nfs/dbraw/zinc/40/46/71/678404671.db2.gz	HKERRVYEUUTKMM-UHFFFAOYSA-N	-1	1	324.337	-1.974	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC1(O)CN(C(C)=O)C1	ZINC001043987160	678407995	/nfs/dbraw/zinc/40/79/95/678407995.db2.gz	DTRFTRQOXWJALY-UHFFFAOYSA-N	-1	1	312.282	-1.781	20	0		DAADMM
CN(C(=O)c1cccnn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001044078650	678411609	/nfs/dbraw/zinc/41/16/09/678411609.db2.gz	DAUMPRPRQXTPNR-UHFFFAOYSA-N	-1	1	303.326	-1.145	20	0		DAADMM
O=C([C@@H]1COC(=O)N1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001045020307	678444474	/nfs/dbraw/zinc/44/44/74/678444474.db2.gz	LYERTSHKJILZOJ-YUMQZZPRSA-N	-1	1	310.314	-1.301	20	0		DAADMM
O=C([C@H]1CCNC1=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001045150675	678447254	/nfs/dbraw/zinc/44/72/54/678447254.db2.gz	IPMIVPPTPQNTHA-IUCAKERBSA-N	-1	1	308.342	-1.273	20	0		DAADMM
O=C([C@@H]1CCNC1=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001045150674	678447299	/nfs/dbraw/zinc/44/72/99/678447299.db2.gz	IPMIVPPTPQNTHA-DTWKUNHWSA-N	-1	1	308.342	-1.273	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](C)(NC(=O)[C@H]3COC(=O)N3)C2)nc1=O	ZINC001046286865	678480535	/nfs/dbraw/zinc/48/05/35/678480535.db2.gz	GZBXMVSSAOKXKI-AMIZOPFISA-N	-1	1	324.341	-1.703	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](C)(NC(=O)[C@@H]3COC(=O)N3)C2)nc1=O	ZINC001046286866	678480669	/nfs/dbraw/zinc/48/06/69/678480669.db2.gz	GZBXMVSSAOKXKI-ISVAXAHUSA-N	-1	1	324.341	-1.703	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](C)(NC(=O)[C@@H]3COC(=O)N3)C2)nc1=O	ZINC001046286868	678480695	/nfs/dbraw/zinc/48/06/95/678480695.db2.gz	GZBXMVSSAOKXKI-SDBXPKJASA-N	-1	1	324.341	-1.703	20	0		DAADMM
Cc1ncc(C(=O)N(C)[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)[nH]1	ZINC001047325649	678507791	/nfs/dbraw/zinc/50/77/91/678507791.db2.gz	GSFNGOSDNIPZAU-UWVGGRQHSA-N	-1	1	321.341	-1.141	20	0		DAADMM
CN(C(=O)C1(C)CC1)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001047391159	678515115	/nfs/dbraw/zinc/51/51/15/678515115.db2.gz	LHTFTBYTWWQMQH-UWVGGRQHSA-N	-1	1	309.370	-1.088	20	0		DAADMM
C[C@H]1C[C@@H]1C(=O)N(C)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001047490139	678524960	/nfs/dbraw/zinc/52/49/60/678524960.db2.gz	AFRDMJVDRKBZBL-NAKRPEOUSA-N	-1	1	309.370	-1.232	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]3[C@@H]2CCCN3C(=O)CC(N)=O)nc1=O	ZINC001049382109	678581280	/nfs/dbraw/zinc/58/12/80/678581280.db2.gz	MUYHXOOVPNUESF-VHSXEESVSA-N	-1	1	322.369	-1.451	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]3[C@@H]2CCCN3C(=O)C(N)=O)nc1=O	ZINC001049690640	678585077	/nfs/dbraw/zinc/58/50/77/678585077.db2.gz	HQFCRAZZRJBTTM-IUCAKERBSA-N	-1	1	308.342	-1.841	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]3[C@H]2CCCN3C(=O)C(N)=O)nc1=O	ZINC001049690638	678585167	/nfs/dbraw/zinc/58/51/67/678585167.db2.gz	HQFCRAZZRJBTTM-BDAKNGLRSA-N	-1	1	308.342	-1.841	20	0		DAADMM
Cn1[n-]c(CN2CC3(C2)CN(C(=O)C2CC2)CCO3)nc1=O	ZINC001053116725	678593069	/nfs/dbraw/zinc/59/30/69/678593069.db2.gz	GLRMPEHMNMJOHN-UHFFFAOYSA-N	-1	1	307.354	-1.068	20	0		DAADMM
Cn1[n-]c(CN2CC3(C2)C[C@H](NC(=O)C(F)F)CO3)nc1=O	ZINC001053710399	678611248	/nfs/dbraw/zinc/61/12/48/678611248.db2.gz	MWSLWQKMCFHQAK-ZETCQYMHSA-N	-1	1	317.296	-1.167	20	0		DAADMM
Cn1[n-]c(CN2CC3(C2)C[C@@H](NC(=O)C2CC2)CO3)nc1=O	ZINC001053709782	678611325	/nfs/dbraw/zinc/61/13/25/678611325.db2.gz	BREVXHFPUDZQPC-SNVBAGLBSA-N	-1	1	307.354	-1.022	20	0		DAADMM
NC(=O)CN1CC2(C1)C[C@@H](NC(=O)c1ncccc1[O-])CO2	ZINC001053783987	678614160	/nfs/dbraw/zinc/61/41/60/678614160.db2.gz	DAIMEMRDJXFAIP-SECBINFHSA-N	-1	1	306.322	-1.154	20	0		DAADMM
C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054620152	678632799	/nfs/dbraw/zinc/63/27/99/678632799.db2.gz	PKJMBHZKWQJQER-YUMQZZPRSA-N	-1	1	306.330	-1.111	20	0		DAADMM
C[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054614722	678632919	/nfs/dbraw/zinc/63/29/19/678632919.db2.gz	NCEFGOHZNJJIQS-JGVFFNPUSA-N	-1	1	306.330	-1.111	20	0		DAADMM
C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054649954	678633320	/nfs/dbraw/zinc/63/33/20/678633320.db2.gz	OPAQBYGMGWEWOK-HTQZYQBOSA-N	-1	1	307.318	-1.867	20	0		DAADMM
C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054649959	678634008	/nfs/dbraw/zinc/63/40/08/678634008.db2.gz	OPAQBYGMGWEWOK-SFYZADRCSA-N	-1	1	307.318	-1.867	20	0		DAADMM
C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054770198	678634899	/nfs/dbraw/zinc/63/48/99/678634899.db2.gz	ZQZFPCSLJAWKEY-SFYZADRCSA-N	-1	1	310.358	-1.042	20	0		DAADMM
C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001055017328	678637646	/nfs/dbraw/zinc/63/76/46/678637646.db2.gz	KEMUPKMCVMVEOG-CBAPKCEASA-N	-1	1	319.325	-1.156	20	0		DAADMM
NC(=O)C(=O)N[C@@]1(CO)CCCN(C(=O)c2ncccc2[O-])C1	ZINC001056091508	678659948	/nfs/dbraw/zinc/65/99/48/678659948.db2.gz	XDWKKDKMSOZTRN-AWEZNQCLSA-N	-1	1	322.321	-1.644	20	0		DAADMM
CCC(=O)N(CCO)CCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001056726561	678664470	/nfs/dbraw/zinc/66/44/70/678664470.db2.gz	JRFNHUQGAYJRJM-UHFFFAOYSA-N	-1	1	322.325	-1.622	20	0		DAADMM
O=C(Cn1cncn1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001000863792	678682783	/nfs/dbraw/zinc/68/27/83/678682783.db2.gz	UPWHJBVOLKIGAB-SECBINFHSA-N	-1	1	306.330	-1.117	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3CCCN(C(=O)CC(N)=O)[C@@H]3C2)nc1=O	ZINC001050003431	678701420	/nfs/dbraw/zinc/70/14/20/678701420.db2.gz	AFNYBIFZDPQVMO-VHSXEESVSA-N	-1	1	322.369	-1.593	20	0		DAADMM
NC(=O)CC(=O)NCCN(CCO)C(=O)c1ncccc1[O-]	ZINC001057410134	678715010	/nfs/dbraw/zinc/71/50/10/678715010.db2.gz	DJMVJXNISYHMJP-UHFFFAOYSA-N	-1	1	310.310	-1.787	20	0		DAADMM
Cn1[n-]c(CN2CCOC[C@@H]2CNC(=O)c2ccn[nH]2)nc1=O	ZINC001050828650	678732011	/nfs/dbraw/zinc/73/20/11/678732011.db2.gz	RUVYIXPSNOHCDA-VIFPVBQESA-N	-1	1	321.341	-1.538	20	0		DAADMM
O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1cnn[nH]1	ZINC001050995092	678741987	/nfs/dbraw/zinc/74/19/87/678741987.db2.gz	GKQIWTSDMRVJSS-SSDOTTSWSA-N	-1	1	308.302	-1.741	20	0		DAADMM
O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1ncn[nH]1	ZINC001051170609	678748475	/nfs/dbraw/zinc/74/84/75/678748475.db2.gz	DDZKOJMDYHZACF-ZETCQYMHSA-N	-1	1	308.302	-1.741	20	0		DAADMM
O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1nc[nH]n1	ZINC001051170609	678748478	/nfs/dbraw/zinc/74/84/78/678748478.db2.gz	DDZKOJMDYHZACF-ZETCQYMHSA-N	-1	1	308.302	-1.741	20	0		DAADMM
O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1ncn[nH]1	ZINC001051170608	678748667	/nfs/dbraw/zinc/74/86/67/678748667.db2.gz	DDZKOJMDYHZACF-SSDOTTSWSA-N	-1	1	308.302	-1.741	20	0		DAADMM
O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1nc[nH]n1	ZINC001051170608	678748670	/nfs/dbraw/zinc/74/86/70/678748670.db2.gz	DDZKOJMDYHZACF-SSDOTTSWSA-N	-1	1	308.302	-1.741	20	0		DAADMM
O=C(Cn1cnnn1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051421375	678754742	/nfs/dbraw/zinc/75/47/42/678754742.db2.gz	PQFIUAQCVFSZGC-QMMMGPOBSA-N	-1	1	323.317	-2.486	20	0		DAADMM
O=C(c1cn[nH]c1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051461850	678757012	/nfs/dbraw/zinc/75/70/12/678757012.db2.gz	ZURLZHPSSDDESP-SECBINFHSA-N	-1	1	307.314	-1.136	20	0		DAADMM
O=C([C@@H]1CCOC1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051483182	678758233	/nfs/dbraw/zinc/75/82/33/678758233.db2.gz	QULYCWASMVKXJM-NXEZZACHSA-N	-1	1	311.342	-1.136	20	0		DAADMM
Cn1nccc1C(=O)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051485246	678758556	/nfs/dbraw/zinc/75/85/56/678758556.db2.gz	PPCZZLMDTRFLPW-SECBINFHSA-N	-1	1	321.341	-1.125	20	0		DAADMM
CC(C)[C@@H](O)C(=O)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051591567	678762243	/nfs/dbraw/zinc/76/22/43/678762243.db2.gz	DDZDVZKUPSQKDF-GXSJLCMTSA-N	-1	1	313.358	-1.156	20	0		DAADMM
O=C(c1ccnnc1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051843569	678775856	/nfs/dbraw/zinc/77/58/56/678775856.db2.gz	ORFDROCGDXJDKI-JTQLQIEISA-N	-1	1	319.325	-1.069	20	0		DAADMM
O=C(c1nc[nH]n1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051872139	678776692	/nfs/dbraw/zinc/77/66/92/678776692.db2.gz	FGWXICYMAOLDLF-ZETCQYMHSA-N	-1	1	308.302	-1.741	20	0		DAADMM
O=C(c1cnon1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051876145	678777325	/nfs/dbraw/zinc/77/73/25/678777325.db2.gz	JCCDUEUZHBWALF-SSDOTTSWSA-N	-1	1	309.286	-1.476	20	0		DAADMM
O=C(c1ncccn1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051876991	678777586	/nfs/dbraw/zinc/77/75/86/678777586.db2.gz	YELFJGKAXJRLGW-VIFPVBQESA-N	-1	1	319.325	-1.069	20	0		DAADMM
O=C(Cn1ccnc1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051949085	678781051	/nfs/dbraw/zinc/78/10/51/678781051.db2.gz	VXOWYOGEYLFTFU-SNVBAGLBSA-N	-1	1	321.341	-1.276	20	0		DAADMM
C[C@@H](C(N)=O)N1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001052529040	678792663	/nfs/dbraw/zinc/79/26/63/678792663.db2.gz	POSBWCBYRYBEEK-JGVFFNPUSA-N	-1	1	324.341	-1.259	20	0		DAADMM
NC(=O)C(=O)NC1(CNC(=O)c2ncccc2[O-])CCOCC1	ZINC001070227464	678860338	/nfs/dbraw/zinc/86/03/38/678860338.db2.gz	FEMMQVVIQOZPMF-UHFFFAOYSA-N	-1	1	322.321	-1.332	20	0		DAADMM
CC(=O)NCc1n[nH]c([C@@H]2COCCN2Cc2n[nH]c(=O)[n-]2)n1	ZINC001070576891	678869718	/nfs/dbraw/zinc/86/97/18/678869718.db2.gz	HZOZZUHRDRQYST-QMMMGPOBSA-N	-1	1	322.329	-1.162	20	0		DAADMM
CC(=O)NCc1nnc([C@@H]2COCCN2Cc2n[nH]c(=O)[n-]2)[nH]1	ZINC001070576891	678869722	/nfs/dbraw/zinc/86/97/22/678869722.db2.gz	HZOZZUHRDRQYST-QMMMGPOBSA-N	-1	1	322.329	-1.162	20	0		DAADMM
NC(=O)NCC(=O)N[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C12CCC2	ZINC001202426713	782233384	/nfs/dbraw/zinc/23/33/84/782233384.db2.gz	CDMYCVARZKOLGE-SFYZADRCSA-N	-1	1	323.357	-1.304	20	0		DAADMM
NC(=O)NCC(=O)N[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C12CCC2	ZINC001202426712	782233764	/nfs/dbraw/zinc/23/37/64/782233764.db2.gz	CDMYCVARZKOLGE-JGVFFNPUSA-N	-1	1	323.357	-1.304	20	0		DAADMM
NC(=O)CC(=O)N[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C12CCC2	ZINC001202664119	782255736	/nfs/dbraw/zinc/25/57/36/782255736.db2.gz	NNSSIHLZRBYTEW-HTQZYQBOSA-N	-1	1	308.342	-1.097	20	0		DAADMM
NC(=O)C1=NO[C@@H]2CN(C(=O)c3c[nH]c(=S)[n-]c3=O)C[C@H]12	ZINC001275247244	782306110	/nfs/dbraw/zinc/30/61/10/782306110.db2.gz	JRPBWRRUAWKJGU-NTSWFWBYSA-N	-1	1	309.307	-1.217	20	0		DAADMM
CN(C(=O)CN1CCCC1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001047626805	782407416	/nfs/dbraw/zinc/40/74/16/782407416.db2.gz	GDMHSSXHWHYZHN-QWRGUYRKSA-N	-1	1	324.385	-1.390	20	0		DAADMM
C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2	ZINC001097446120	782421597	/nfs/dbraw/zinc/42/15/97/782421597.db2.gz	OOYGSZALVPIBNI-KDXUFGMBSA-N	-1	1	309.326	-1.001	20	0		DAADMM
Cn1[nH]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncn[nH]2)C3)nc1=O	ZINC001098066257	782434773	/nfs/dbraw/zinc/43/47/73/782434773.db2.gz	COAQEOYWWVBOCJ-HLTSFMKQSA-N	-1	1	318.341	-1.238	20	0		DAADMM
COCCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001099619681	782454911	/nfs/dbraw/zinc/45/49/11/782454911.db2.gz	CKXQCOPXEBJCAV-NXEZZACHSA-N	-1	1	313.358	-1.804	20	0		DAADMM
C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)CNC(N)=O	ZINC001101711228	782603335	/nfs/dbraw/zinc/60/33/35/782603335.db2.gz	RTFKKOSJEMWZHV-HTQZYQBOSA-N	-1	1	311.346	-1.637	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCNC(N)=O)nc1=O	ZINC001115217294	782646663	/nfs/dbraw/zinc/64/66/63/782646663.db2.gz	RZOVERYIFPQNET-VROVMSAKSA-N	-1	1	323.357	-2.287	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCS(=O)(=O)CC1	ZINC001116050510	782655876	/nfs/dbraw/zinc/65/58/76/782655876.db2.gz	FRTYSDNKSSPTEQ-UHFFFAOYSA-N	-1	1	301.324	-1.816	20	0		DAADMM
CCOC(=O)[C@@H]1CNCCN1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001118197353	782707168	/nfs/dbraw/zinc/70/71/68/782707168.db2.gz	QNBVUFJCMQYJGM-JTQLQIEISA-N	-1	1	324.337	-1.710	20	0		DAADMM
COC(=O)[C@H](CCF)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001118335469	782715378	/nfs/dbraw/zinc/71/53/78/782715378.db2.gz	YGBKZPBIIUSBQR-QMMMGPOBSA-N	-1	1	301.274	-1.056	20	0		DAADMM
COC(=O)[C@@H](CCF)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001118335457	782715523	/nfs/dbraw/zinc/71/55/23/782715523.db2.gz	YGBKZPBIIUSBQR-MRVPVSSYSA-N	-1	1	301.274	-1.056	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NOCCN1CCCC1=O	ZINC001118733166	782731746	/nfs/dbraw/zinc/73/17/46/782731746.db2.gz	IHQQCCLMHVBDEG-UHFFFAOYSA-N	-1	1	310.310	-1.403	20	0		DAADMM
CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CCc2nncn2C1	ZINC001267109161	775205396	/nfs/dbraw/zinc/20/53/96/775205396.db2.gz	CXDZCGBBJMSBQB-VIFPVBQESA-N	-1	1	320.357	-1.088	20	0		DAADMM
CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1cc2n(n1)CCO2	ZINC001267385036	775235576	/nfs/dbraw/zinc/23/55/76/775235576.db2.gz	HUIAOZXRYKWZJP-UHFFFAOYSA-N	-1	1	307.314	-1.039	20	0		DAADMM
O=C(NC[C@H](O)CNCc1n[nH]c(=O)[n-]1)c1ccc(F)nc1	ZINC001268294599	775356791	/nfs/dbraw/zinc/35/67/91/775356791.db2.gz	AEQPJHZGNCWUTC-MRVPVSSYSA-N	-1	1	310.289	-1.075	20	0		DAADMM
COC(=O)C1(S(=O)(=O)[N-][C@@H]2CC(=O)N(C)C2=O)CCC1	ZINC001211831563	775401891	/nfs/dbraw/zinc/40/18/91/775401891.db2.gz	FXXWTKUIFYDNNW-SSDOTTSWSA-N	-1	1	304.324	-1.241	20	0		DAADMM
CNC(=O)C1(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)CC1	ZINC001269177495	775447086	/nfs/dbraw/zinc/44/70/86/775447086.db2.gz	JBZOCVAFIVKQHC-SECBINFHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
CC[C@@H](C)N1CC2(CN(C(=O)Cc3nn[n-]n3)C2)OCC1=O	ZINC001269576300	775473668	/nfs/dbraw/zinc/47/36/68/775473668.db2.gz	HJPHPFJJVNSBME-SECBINFHSA-N	-1	1	308.342	-1.020	20	0		DAADMM
CN(C)C(=O)CN1C[C@@H]2CCN(C(=O)Cc3nnn[n-]3)[C@@H]2C1	ZINC001270182271	775485468	/nfs/dbraw/zinc/48/54/68/775485468.db2.gz	AUGQAOLAHGDBRB-VHSXEESVSA-N	-1	1	307.358	-1.637	20	0		DAADMM
CN(C)S(=O)(=O)N1CC2(CN(C(=O)Cc3nn[n-]n3)C2)C1	ZINC001270185727	775487137	/nfs/dbraw/zinc/48/71/37/775487137.db2.gz	JUFCAUBGVWWOBI-UHFFFAOYSA-N	-1	1	315.359	-2.307	20	0		DAADMM
CCNC(=O)CC(=O)N[C@@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001270576915	775497938	/nfs/dbraw/zinc/49/79/38/775497938.db2.gz	NQHCWHTWHBXTOS-AWEZNQCLSA-N	-1	1	324.385	-1.285	20	0		DAADMM
COC(=O)NCCNS(=O)(=O)c1cc(C(=O)OC)n[n-]1	ZINC001211853175	775500185	/nfs/dbraw/zinc/50/01/85/775500185.db2.gz	VGDQADJMXKHWCO-UHFFFAOYSA-N	-1	1	306.300	-1.169	20	0		DAADMM
COC(=O)NCCNS(=O)(=O)c1cc(C(=O)OC)[n-]n1	ZINC001211853175	775500195	/nfs/dbraw/zinc/50/01/95/775500195.db2.gz	VGDQADJMXKHWCO-UHFFFAOYSA-N	-1	1	306.300	-1.169	20	0		DAADMM
Cn1ccnc1NC(=O)[C@@H]1CC12CN(C(=O)Cc1nn[n-]n1)C2	ZINC001270783987	775507255	/nfs/dbraw/zinc/50/72/55/775507255.db2.gz	BKKOKGAWUGADHT-QMMMGPOBSA-N	-1	1	316.325	-1.037	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1C[C@H]2C[C@@]2(C(=O)Nc2cn[nH]c2)C1	ZINC001270784157	775507657	/nfs/dbraw/zinc/50/76/57/775507657.db2.gz	DBCHQXIQIJDMRS-JMCQJSRRSA-N	-1	1	302.298	-1.048	20	0		DAADMM
CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1CCN2C(=O)Cc1nn[n-]n1	ZINC001270789499	775508441	/nfs/dbraw/zinc/50/84/41/775508441.db2.gz	ROAYZRWOJQRPKY-ISVAXAHUSA-N	-1	1	321.341	-2.062	20	0		DAADMM
CN(C)C(=O)[C@H]1COCCC12CN(C(=O)Cc1nn[n-]n1)C2	ZINC001270789477	775508562	/nfs/dbraw/zinc/50/85/62/775508562.db2.gz	RCCSBAMWOUXDPN-SECBINFHSA-N	-1	1	308.342	-1.305	20	0		DAADMM
CN(C)C(=O)c1nnc2n1CCN(C(=O)Cc1nn[n-]n1)C2	ZINC001270789193	775508685	/nfs/dbraw/zinc/50/86/85/775508685.db2.gz	ORQYGKAYCHJMII-UHFFFAOYSA-N	-1	1	305.302	-1.922	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1C[C@H]2C[C@@]2(C(=O)Nc2nnco2)C1	ZINC001270785051	775508714	/nfs/dbraw/zinc/50/87/14/775508714.db2.gz	QGKQJLQIVSCYOJ-KSBSHMNSSA-N	-1	1	304.270	-1.388	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC[C@H]2C[C@]21C(=O)NCC1COC1	ZINC001270787982	775508791	/nfs/dbraw/zinc/50/87/91/775508791.db2.gz	COCOHMPDXKYURF-TVQRCGJNSA-N	-1	1	306.326	-1.504	20	0		DAADMM
Cn1nnnc1NC(=O)[C@@]12C[C@@H]1CCN2C(=O)Cc1nn[n-]n1	ZINC001270785030	775508988	/nfs/dbraw/zinc/50/89/88/775508988.db2.gz	PHXJWICAMUDXQF-UPONEAKYSA-N	-1	1	318.301	-2.105	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC2(C[C@H]2C(=O)Nc2nnco2)C1	ZINC001270784605	775509311	/nfs/dbraw/zinc/50/93/11/775509311.db2.gz	LEIHURJENRCRSK-LURJTMIESA-N	-1	1	304.270	-1.388	20	0		DAADMM
CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1CN(C(=O)Cc1nn[n-]n1)C2	ZINC001270788320	775509435	/nfs/dbraw/zinc/50/94/35/775509435.db2.gz	DWYLCKLYVOTLES-AMIZOPFISA-N	-1	1	321.341	-2.205	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1C[C@@H]2C(C(=O)N3CC=CC3)=NO[C@@H]2C1	ZINC001270789018	775509663	/nfs/dbraw/zinc/50/96/63/775509663.db2.gz	MJAIGGNQMLTQGZ-DTWKUNHWSA-N	-1	1	317.309	-1.646	20	0		DAADMM
Cn1nnnc1NC(=O)[C@]12C[C@H]1CCN2C(=O)Cc1nn[n-]n1	ZINC001270785027	775509682	/nfs/dbraw/zinc/50/96/82/775509682.db2.gz	PHXJWICAMUDXQF-KBUNVGBDSA-N	-1	1	318.301	-2.105	20	0		DAADMM
CN(C)C(=O)CNC(=O)[C@@H]1CC12CN(C(=O)Cc1nn[n-]n1)C2	ZINC001270788326	775509829	/nfs/dbraw/zinc/50/98/29/775509829.db2.gz	FBCKMYIVFJGIDJ-QMMMGPOBSA-N	-1	1	321.341	-2.205	20	0		DAADMM
CN(C)C(=O)[C@H]1CCn2nccc2CN1C(=O)Cc1nn[n-]n1	ZINC001270788332	775509952	/nfs/dbraw/zinc/50/99/52/775509952.db2.gz	FCGIKTIENWKHLE-SNVBAGLBSA-N	-1	1	318.341	-1.172	20	0		DAADMM
C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001088495125	775613136	/nfs/dbraw/zinc/61/31/36/775613136.db2.gz	BSZHALKBYDBRCX-KXUCPTDWSA-N	-1	1	322.369	-1.534	20	0		DAADMM
COC1CC(C(=O)N(CCO)CCNCc2n[nH]c(=O)[n-]2)C1	ZINC001272189841	775645716	/nfs/dbraw/zinc/64/57/16/775645716.db2.gz	NHMKFHNVTYOLNC-UHFFFAOYSA-N	-1	1	313.358	-1.154	20	0		DAADMM
O=C(CNC(=O)N1CCCC1)NCCNCc1n[nH]c(=O)[n-]1	ZINC001127035973	775671638	/nfs/dbraw/zinc/67/16/38/775671638.db2.gz	VVCAFNLJZGZFMT-UHFFFAOYSA-N	-1	1	311.346	-1.479	20	0		DAADMM
O=C(OCCC[NH+]1CCOCC1)[C@H](O)COP(=O)([O-])[O-]	ZINC001224868131	775674009	/nfs/dbraw/zinc/67/40/09/775674009.db2.gz	QEJGVPCITWTMJV-SECBINFHSA-N	-1	1	313.243	-1.278	20	0		DAADMM
COCCn1cc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)nn1	ZINC001127057117	775674095	/nfs/dbraw/zinc/67/40/95/775674095.db2.gz	WIWDKEVQIOLQCS-UHFFFAOYSA-N	-1	1	310.318	-1.732	20	0		DAADMM
C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNCc1n[nH]c(=O)[n-]1	ZINC001272284016	775739869	/nfs/dbraw/zinc/73/98/69/775739869.db2.gz	FJOLMKWYARWXIA-VHSXEESVSA-N	-1	1	313.358	-1.154	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)[C@@H]3CC34CC4)[C@@H](O)C2)nc1=O	ZINC001083807252	775930913	/nfs/dbraw/zinc/93/09/13/775930913.db2.gz	FMTGZUCBNOZARX-AEJSXWLSSA-N	-1	1	307.354	-1.430	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)C3CCC3)[C@@H](O)C2)nc1=O	ZINC001090002303	775950305	/nfs/dbraw/zinc/95/03/05/775950305.db2.gz	ONNCBPDCFFLEMM-MNOVXSKESA-N	-1	1	309.370	-1.040	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)CC3CC3)[C@H](O)C2)nc1=O	ZINC001090010795	775950569	/nfs/dbraw/zinc/95/05/69/775950569.db2.gz	QRFMMZFXCPVCGW-WDEREUQCSA-N	-1	1	309.370	-1.040	20	0		DAADMM
CSCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001099651045	775959530	/nfs/dbraw/zinc/95/95/30/775959530.db2.gz	OMMWAMIGTQIVOQ-RKDXNWHRSA-N	-1	1	315.399	-1.477	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3ccc[nH]3)[C@@H](O)C2)nc1=O	ZINC001090067396	775966023	/nfs/dbraw/zinc/96/60/23/775966023.db2.gz	DQGZRUJHAMJPSG-ONGXEEELSA-N	-1	1	320.353	-1.198	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3ccn[nH]3)[C@@H](O)C2)nc1=O	ZINC001090104942	775978093	/nfs/dbraw/zinc/97/80/93/775978093.db2.gz	PTWRCNIMNZSQOO-WPRPVWTQSA-N	-1	1	321.341	-1.803	20	0		DAADMM
O=C(N[C@@H]1CN(CCCO)C[C@@H]1O)c1c[n-]n2c1nccc2=O	ZINC001083841835	775979542	/nfs/dbraw/zinc/97/95/42/775979542.db2.gz	MKASAYQCGQIRDR-MNOVXSKESA-N	-1	1	321.337	-1.820	20	0		DAADMM
C[C@@H](O)CN1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H](O)C1	ZINC001083841752	775979635	/nfs/dbraw/zinc/97/96/35/775979635.db2.gz	KEYPAYFWANKTLE-IEBDPFPHSA-N	-1	1	321.337	-1.822	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3cn[nH]c3)[C@H](O)C2)nc1=O	ZINC001090110583	775983025	/nfs/dbraw/zinc/98/30/25/775983025.db2.gz	AEPMVFFEQUFVJP-NXEZZACHSA-N	-1	1	321.341	-1.803	20	0		DAADMM
Cc1c[nH]c(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)n1	ZINC001083848623	775985536	/nfs/dbraw/zinc/98/55/36/775985536.db2.gz	OKOMFXOBXLCMTK-BDAKNGLRSA-N	-1	1	321.341	-1.885	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3cocn3)[C@@H](O)C2)nc1=O	ZINC001090129428	775989200	/nfs/dbraw/zinc/98/92/00/775989200.db2.gz	PHIAEHRMQPVDQG-WPRPVWTQSA-N	-1	1	322.325	-1.538	20	0		DAADMM
COCC(=O)N(C)CC(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001128619117	776000813	/nfs/dbraw/zinc/00/08/13/776000813.db2.gz	OTGQAYARIARHDP-UHFFFAOYSA-N	-1	1	300.319	-2.179	20	0		DAADMM
Cn1c(=O)ccn(CC(=O)NCCNCc2n[nH]c(=O)[n-]2)c1=O	ZINC001128764323	776016966	/nfs/dbraw/zinc/01/69/66/776016966.db2.gz	ZAPORSSLYYGOOO-UHFFFAOYSA-N	-1	1	323.313	-2.723	20	0		DAADMM
O=C(CCCN1C(=O)CCC1=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001128759234	776017195	/nfs/dbraw/zinc/01/71/95/776017195.db2.gz	XWMRPTISOVKISI-UHFFFAOYSA-N	-1	1	324.341	-1.355	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3ncc[nH]3)[C@H](O)C2)nc1=O	ZINC001090251356	776048790	/nfs/dbraw/zinc/04/87/90/776048790.db2.gz	JDYZHCOSOJJHMM-RKDXNWHRSA-N	-1	1	321.341	-1.803	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3ncc[nH]3)[C@H](O)C2)nc1=O	ZINC001090251354	776048864	/nfs/dbraw/zinc/04/88/64/776048864.db2.gz	JDYZHCOSOJJHMM-DTWKUNHWSA-N	-1	1	321.341	-1.803	20	0		DAADMM
CC(C)N1C[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H](O)C1	ZINC001083869846	776055871	/nfs/dbraw/zinc/05/58/71/776055871.db2.gz	BXBMWCDWTCUBGM-MNOVXSKESA-N	-1	1	320.353	-1.359	20	0		DAADMM
CCCN1C[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H](O)C1	ZINC001083869842	776056908	/nfs/dbraw/zinc/05/69/08/776056908.db2.gz	BTWCCYFCRUTAEV-MNOVXSKESA-N	-1	1	320.353	-1.358	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3cc[nH]c3)[C@@H](O)C2)nc1=O	ZINC001090279115	776076860	/nfs/dbraw/zinc/07/68/60/776076860.db2.gz	JHXZGCUCZOOHTA-QWRGUYRKSA-N	-1	1	320.353	-1.198	20	0		DAADMM
O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cnn[nH]1	ZINC001090389056	776134393	/nfs/dbraw/zinc/13/43/93/776134393.db2.gz	USFJRBJGCFIYSA-SVRRBLITSA-N	-1	1	308.302	-2.006	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)c4cn[nH]n4)[C@@H]3C2)nc1=O	ZINC001084478669	776178160	/nfs/dbraw/zinc/17/81/60/776178160.db2.gz	CTWUKVJOWMLBAW-PSASIEDQSA-N	-1	1	318.341	-1.427	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)CCCF)[C@@H](O)C2)nc1=O	ZINC001099952874	776205291	/nfs/dbraw/zinc/20/52/91/776205291.db2.gz	ZYMDCSLUKMMGCV-UWVGGRQHSA-N	-1	1	315.349	-1.091	20	0		DAADMM
O=C(N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1)[C@H]1CNC(=O)N1	ZINC001085315798	776206145	/nfs/dbraw/zinc/20/61/45/776206145.db2.gz	KBJFPATUENPDBR-IWSPIJDZSA-N	-1	1	323.357	-1.291	20	0		DAADMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@H]1CCC(=O)N1	ZINC001085518438	776211064	/nfs/dbraw/zinc/21/10/64/776211064.db2.gz	RMZLLTYLUFSXED-NXEZZACHSA-N	-1	1	322.369	-1.580	20	0		DAADMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1COC(=O)N1	ZINC001085576398	776215682	/nfs/dbraw/zinc/21/56/82/776215682.db2.gz	QPKUXXRCHBNJLA-BDAKNGLRSA-N	-1	1	324.341	-1.751	20	0		DAADMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1CCNC1=O	ZINC001085762752	776222493	/nfs/dbraw/zinc/22/24/93/776222493.db2.gz	OPCFBHKJPURLJH-NXEZZACHSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1nnn(C)n1	ZINC001085771094	776224514	/nfs/dbraw/zinc/22/45/14/776224514.db2.gz	UWMHRBRDAXKFSQ-MRVPVSSYSA-N	-1	1	321.345	-2.022	20	0		DAADMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1CCC(=O)N1	ZINC001085934089	776231615	/nfs/dbraw/zinc/23/16/15/776231615.db2.gz	RMZLLTYLUFSXED-ZJUUUORDSA-N	-1	1	322.369	-1.580	20	0		DAADMM
CN(C[C@@H]1CCN1CC(N)=O)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001085923930	776231708	/nfs/dbraw/zinc/23/17/08/776231708.db2.gz	KLKZTGLIRSYSDJ-QMMMGPOBSA-N	-1	1	319.325	-1.951	20	0		DAADMM
C[C@]1(CNC(=O)c2nc[nH]n2)CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001108287413	776271745	/nfs/dbraw/zinc/27/17/45/776271745.db2.gz	SKEBWFWBZXSJSH-LBPRGKRZSA-N	-1	1	322.329	-1.351	20	0		DAADMM
C[C@]1(CNC(=O)c2ncn[nH]2)CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001108287413	776271749	/nfs/dbraw/zinc/27/17/49/776271749.db2.gz	SKEBWFWBZXSJSH-LBPRGKRZSA-N	-1	1	322.329	-1.351	20	0		DAADMM
CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1	ZINC001108864316	776317250	/nfs/dbraw/zinc/31/72/50/776317250.db2.gz	IOYHRXLJMRVXKJ-VWYCJHECSA-N	-1	1	322.369	-1.534	20	0		DAADMM
Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC(N)=O)C3)nc1=O	ZINC001109106331	776326657	/nfs/dbraw/zinc/32/66/57/776326657.db2.gz	LUTZVQNKDBDGMW-VGMNWLOBSA-N	-1	1	308.342	-1.795	20	0		DAADMM
CNS(=O)(=O)c1cccc(C(=O)NN2CC(=O)[N-]C2=O)c1	ZINC000052852125	776356989	/nfs/dbraw/zinc/35/69/89/776356989.db2.gz	LOMOQKYGUNCCQI-UHFFFAOYSA-N	-1	1	312.307	-1.209	20	0		DAADMM
CCNC(=O)CCC(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001112697953	776360758	/nfs/dbraw/zinc/36/07/58/776360758.db2.gz	YDXYFTUGBBKKHY-UHFFFAOYSA-N	-1	1	324.385	-1.331	20	0		DAADMM
NC(=O)NC(=O)CN1CCN(C(=O)c2ncccc2[O-])CC1	ZINC001112782120	776374539	/nfs/dbraw/zinc/37/45/39/776374539.db2.gz	FEXACXILRSHLGX-UHFFFAOYSA-N	-1	1	307.310	-1.260	20	0		DAADMM
COC[C@@H](OC)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001113318462	776402538	/nfs/dbraw/zinc/40/25/38/776402538.db2.gz	WGVDOCNETXZHMI-SNVBAGLBSA-N	-1	1	313.358	-1.586	20	0		DAADMM
CC[C@@H](NC(C)=O)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001113371910	776404557	/nfs/dbraw/zinc/40/45/57/776404557.db2.gz	YKJGTKSUJMUZCA-LLVKDONJSA-N	-1	1	324.385	-1.333	20	0		DAADMM
CN(C)C(=O)CC(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001113412491	776406149	/nfs/dbraw/zinc/40/61/49/776406149.db2.gz	ZPQCMIOLBMNJGS-UHFFFAOYSA-N	-1	1	310.358	-1.769	20	0		DAADMM
CC(=O)NC(C)(C)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001113436381	776408250	/nfs/dbraw/zinc/40/82/50/776408250.db2.gz	GKJISWKSSWNXCI-UHFFFAOYSA-N	-1	1	324.385	-1.333	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)CCCC(N)=O)CC2)nc1=O	ZINC001113728660	776420678	/nfs/dbraw/zinc/42/06/78/776420678.db2.gz	CBLNYWQMYQZJJC-UHFFFAOYSA-N	-1	1	310.358	-1.592	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001113824809	776426548	/nfs/dbraw/zinc/42/65/48/776426548.db2.gz	BXHVBAASCGEQJZ-BXSSEVMYSA-N	-1	1	322.369	-1.821	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)nc1=O	ZINC001113849843	776432501	/nfs/dbraw/zinc/43/25/01/776432501.db2.gz	NGPINCRWUQTZKO-MTBHXBHISA-N	-1	1	309.330	-2.677	20	0		DAADMM
CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001113899351	776435835	/nfs/dbraw/zinc/43/58/35/776435835.db2.gz	LKOYQFWHHQZNIW-IWIIMEHWSA-N	-1	1	322.369	-1.867	20	0		DAADMM
O=C(CCc1nc[nH]n1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001114120695	776450539	/nfs/dbraw/zinc/45/05/39/776450539.db2.gz	WGFDEXOMDKOEBA-JDICNCQASA-N	-1	1	318.341	-1.192	20	0		DAADMM
NC(=O)NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccc1[O-]	ZINC001114163506	776455058	/nfs/dbraw/zinc/45/50/58/776455058.db2.gz	IVAROKLJONZBBG-VROVMSAKSA-N	-1	1	319.321	-1.358	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)c1cnc2n[nH]nc2c1	ZINC001129577793	776475226	/nfs/dbraw/zinc/47/52/26/776475226.db2.gz	CHGLCQUJYTUFSZ-UHFFFAOYSA-N	-1	1	303.286	-1.304	20	0		DAADMM
COCc1nn(C)cc1C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001130445494	776511235	/nfs/dbraw/zinc/51/12/35/776511235.db2.gz	ORKBWLHBVHQQHJ-UHFFFAOYSA-N	-1	1	309.330	-1.090	20	0		DAADMM
O=C(Cn1ccc(=O)[nH]c1=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001130938310	776545251	/nfs/dbraw/zinc/54/52/51/776545251.db2.gz	IDYLGANTKXXFOH-UHFFFAOYSA-N	-1	1	309.286	-2.321	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)[C@H]1CCc2nncn2CC1	ZINC001131507945	776571068	/nfs/dbraw/zinc/57/10/68/776571068.db2.gz	DUFKPEDBVGSATG-VIFPVBQESA-N	-1	1	320.357	-1.040	20	0		DAADMM
Cn1cnn(CCC(=O)NCCNCc2n[nH]c(=O)[n-]2)c1=O	ZINC001131765803	776588004	/nfs/dbraw/zinc/58/80/04/776588004.db2.gz	LZEQQJHPEOXQHR-UHFFFAOYSA-N	-1	1	310.318	-2.298	20	0		DAADMM
CO[C@@H](C(=O)NCCNCc1n[nH]c(=O)[n-]1)c1cnn(C)c1	ZINC001131878030	776598224	/nfs/dbraw/zinc/59/82/24/776598224.db2.gz	TYBDDENJKQWYOS-SNVBAGLBSA-N	-1	1	309.330	-1.163	20	0		DAADMM
Cn1nnc2c1nccc2C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001132957583	776649077	/nfs/dbraw/zinc/64/90/77/776649077.db2.gz	NKHVJLXLCHYAAB-UHFFFAOYSA-N	-1	1	317.313	-1.293	20	0		DAADMM
C[C@H](C[C@H](C)NCc1n[nH]c(=O)[n-]1)NC(=O)CS(C)(=O)=O	ZINC001133836161	776678277	/nfs/dbraw/zinc/67/82/77/776678277.db2.gz	PNUQNPFZJPJPQB-JGVFFNPUSA-N	-1	1	319.387	-1.072	20	0		DAADMM
O=C(Cn1nnc2c1CCCC2)NCCNCc1n[nH]c(=O)[n-]1	ZINC001133962364	776685072	/nfs/dbraw/zinc/68/50/72/776685072.db2.gz	GLFKBFHYSJTHHB-UHFFFAOYSA-N	-1	1	320.357	-1.113	20	0		DAADMM
Cc1cc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)ncc1C(N)=O	ZINC001134090522	776691129	/nfs/dbraw/zinc/69/11/29/776691129.db2.gz	LMYXLZYTIIGFPY-UHFFFAOYSA-N	-1	1	319.325	-1.168	20	0		DAADMM
CN1CC[C@H](C(=O)NCCNCc2n[nH]c(=O)[n-]2)S1(=O)=O	ZINC001135129237	776736950	/nfs/dbraw/zinc/73/69/50/776736950.db2.gz	COAOUGPPHXMPKS-SSDOTTSWSA-N	-1	1	318.359	-2.250	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)C1CC2(C1)NC(=O)NC2=O	ZINC001135158940	776740927	/nfs/dbraw/zinc/74/09/27/776740927.db2.gz	LMOIQOQCGQPWRM-UHFFFAOYSA-N	-1	1	323.313	-2.296	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)c1ccc2n[nH]c(=O)n2c1	ZINC001135241727	776743961	/nfs/dbraw/zinc/74/39/61/776743961.db2.gz	BIPQRDWVCDSNAG-UHFFFAOYSA-N	-1	1	318.297	-1.222	20	0		DAADMM
Cn1ncc(CNCCNC(=O)CCn2cc[n-]c(=O)c2=O)n1	ZINC001135387029	776753923	/nfs/dbraw/zinc/75/39/23/776753923.db2.gz	IXLYRKQUBMVVFV-UHFFFAOYSA-N	-1	1	321.341	-2.039	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCNCc1cnon1	ZINC001135390017	776754186	/nfs/dbraw/zinc/75/41/86/776754186.db2.gz	FTWOWJJAXONWHW-UHFFFAOYSA-N	-1	1	308.298	-1.784	20	0		DAADMM
Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001135669152	776765952	/nfs/dbraw/zinc/76/59/52/776765952.db2.gz	BBFGTALQCRCDFR-UHFFFAOYSA-N	-1	1	323.313	-1.532	20	0		DAADMM
O=C(CCn1cnccc1=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001136022342	776778081	/nfs/dbraw/zinc/77/80/81/776778081.db2.gz	ZGEFOJCTBJEANW-UHFFFAOYSA-N	-1	1	307.314	-1.637	20	0		DAADMM
O=C(Cc1nnc[nH]1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001090705583	776826594	/nfs/dbraw/zinc/82/65/94/776826594.db2.gz	FJZFPSDLXCFIMH-YUMQZZPRSA-N	-1	1	322.329	-2.078	20	0		DAADMM
O=C(CN1CCOCC1=O)NCCNC(=O)c1ncccc1[O-]	ZINC001292666895	777941211	/nfs/dbraw/zinc/94/12/11/777941211.db2.gz	YTNFHUCABNZJRN-UHFFFAOYSA-N	-1	1	322.321	-1.508	20	0		DAADMM
CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)CCc2nn[n-]n2)C1=O	ZINC001294364845	777983085	/nfs/dbraw/zinc/98/30/85/777983085.db2.gz	GMJVVUKERHJPEN-SDBXPKJASA-N	-1	1	321.341	-1.031	20	0		DAADMM
C[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001297096815	778037784	/nfs/dbraw/zinc/03/77/84/778037784.db2.gz	IOSJKSXSOOHUCA-MWLCHTKSSA-N	-1	1	320.349	-1.090	20	0		DAADMM
NC(=O)N1CC[C@@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001297589401	778049320	/nfs/dbraw/zinc/04/93/20/778049320.db2.gz	SQYNFQPBGRZMDC-VIFPVBQESA-N	-1	1	309.326	-1.557	20	0		DAADMM
NC(=O)C1(NC(=O)CCn2cc[n-]c(=O)c2=O)CCOCC1	ZINC001300453642	778094181	/nfs/dbraw/zinc/09/41/81/778094181.db2.gz	VTDRMLJNVUWSEI-UHFFFAOYSA-N	-1	1	310.310	-1.923	20	0		DAADMM
Cn1cnnc1[C@H](CO)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001301182718	778095433	/nfs/dbraw/zinc/09/54/33/778095433.db2.gz	MBZDTWDOEOENQT-QMMMGPOBSA-N	-1	1	308.298	-2.095	20	0		DAADMM
CONC(=O)C1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC001303327619	778098146	/nfs/dbraw/zinc/09/81/46/778098146.db2.gz	ZEKKAEZMMKLXRS-UHFFFAOYSA-N	-1	1	324.337	-1.157	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])NCCN1CCNC1=S	ZINC001306136044	778101053	/nfs/dbraw/zinc/10/10/53/778101053.db2.gz	JMWRESIAJOGYSB-UHFFFAOYSA-N	-1	1	323.378	-1.177	20	0		DAADMM
CO[N-]C(=O)CNS(=O)(=O)CCCN1CCN(C)CC1	ZINC001119614408	779509105	/nfs/dbraw/zinc/50/91/05/779509105.db2.gz	YUVDMQBNMGUVLM-UHFFFAOYSA-N	-1	1	308.404	-1.779	20	0		DAADMM
NC(=O)CO[N-]C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	ZINC001137887532	779611165	/nfs/dbraw/zinc/61/11/65/779611165.db2.gz	LATKTHVMVYEWTA-HTQZYQBOSA-N	-1	1	319.339	-2.445	20	0		DAADMM
O=C(C[C@H]1CC(=O)NC1=O)N1CCSC[C@H]1c1nn[n-]n1	ZINC001138437050	779611674	/nfs/dbraw/zinc/61/16/74/779611674.db2.gz	DURGQMKMOJCZHV-RQJHMYQMSA-N	-1	1	310.339	-1.131	20	0		DAADMM
CN1CCC[C@H](C(=O)N2CCC(O)(c3nn[n-]n3)CC2)C1=O	ZINC001138990867	779612063	/nfs/dbraw/zinc/61/20/63/779612063.db2.gz	CWACASDUMHBMBD-VIFPVBQESA-N	-1	1	308.342	-1.122	20	0		DAADMM
C[C@H](NCCNC(=O)Cn1c(=O)[n-][nH]c1=O)c1cnccn1	ZINC001149161451	779621392	/nfs/dbraw/zinc/62/13/92/779621392.db2.gz	UWOWYEZIKSLNCL-QMMMGPOBSA-N	-1	1	307.314	-1.054	20	0		DAADMM
C[C@@H](NCCNC(=O)Cn1c(=O)[n-][nH]c1=O)c1cnccn1	ZINC001149161446	779622011	/nfs/dbraw/zinc/62/20/11/779622011.db2.gz	UWOWYEZIKSLNCL-MRVPVSSYSA-N	-1	1	307.314	-1.054	20	0		DAADMM
COc1cncc(CNCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1	ZINC001149161326	779622126	/nfs/dbraw/zinc/62/21/26/779622126.db2.gz	SVMAMHFWFIBLNX-UHFFFAOYSA-N	-1	1	323.313	-1.606	20	0		DAADMM
CNC(=O)c1cccc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)n1	ZINC001149464418	779632803	/nfs/dbraw/zinc/63/28/03/779632803.db2.gz	WHVGZUKNBUJEGH-UHFFFAOYSA-N	-1	1	319.325	-1.216	20	0		DAADMM
CC(=O)N1CCO[C@H](C(=O)NCCNCc2n[nH]c(=O)[n-]2)C1	ZINC001149531128	779634068	/nfs/dbraw/zinc/63/40/68/779634068.db2.gz	SRQYFHIEMSLVCZ-VIFPVBQESA-N	-1	1	312.330	-2.037	20	0		DAADMM
O=C(CCc1nn[n-]n1)NCCCN1CCCS1(=O)=O	ZINC001150674890	779665014	/nfs/dbraw/zinc/66/50/14/779665014.db2.gz	NJNCPPHRQPYLMI-UHFFFAOYSA-N	-1	1	302.360	-1.326	20	0		DAADMM
O=C(Cc1nc2ncccn2n1)NCCNCc1n[nH]c(=O)[n-]1	ZINC001151055973	779671604	/nfs/dbraw/zinc/67/16/04/779671604.db2.gz	JHNXFBRIROFMSU-UHFFFAOYSA-N	-1	1	317.313	-1.604	20	0		DAADMM
Cn1nnc2c(C(=O)[N-]c3oncc3C(N)=O)ncn2c1=O	ZINC001152747456	779696846	/nfs/dbraw/zinc/69/68/46/779696846.db2.gz	TUZFCOZGYBCWJO-UHFFFAOYSA-N	-1	1	304.226	-1.838	20	0		DAADMM
O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC[C@@H](Cc2nn[n-]n2)C1	ZINC001155127092	779730385	/nfs/dbraw/zinc/73/03/85/779730385.db2.gz	GWWGSCJKBKGJOJ-IUCAKERBSA-N	-1	1	321.341	-1.031	20	0		DAADMM
COC(=O)CNC(=O)CNC(=O)c1c(C)[nH]c(=O)[n-]c1=S	ZINC001156431858	779742149	/nfs/dbraw/zinc/74/21/49/779742149.db2.gz	JETMRPRBLOUPJG-UHFFFAOYSA-N	-1	1	314.323	-1.202	20	0		DAADMM
CN(C(=O)[C@@H](N)Cc1nnn[n-]1)C1CCS(=O)(=O)CC1	ZINC001160718163	779816523	/nfs/dbraw/zinc/81/65/23/779816523.db2.gz	CDSXNAVHLAFHOK-QMMMGPOBSA-N	-1	1	302.360	-1.895	20	0		DAADMM
CN(CC(=O)N1CCNC2(CC2)C1)C(N)=[NH+]P(=O)([O-])[O-]	ZINC001161550936	779841778	/nfs/dbraw/zinc/84/17/78/779841778.db2.gz	VEHNBFZYIGLMOE-UHFFFAOYSA-N	-1	1	305.275	-1.500	20	0		DAADMM
CCn1ncnc1CNCCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001161879020	779846982	/nfs/dbraw/zinc/84/69/82/779846982.db2.gz	BEDDDOAHQICCEF-UHFFFAOYSA-N	-1	1	322.329	-1.196	20	0		DAADMM
O=C(NCCCNCc1ncccn1)c1n[nH]c(=O)[n-]c1=O	ZINC001161880014	779847245	/nfs/dbraw/zinc/84/72/45/779847245.db2.gz	RTHPKPISWSFDIF-UHFFFAOYSA-N	-1	1	305.298	-1.018	20	0		DAADMM
C[C@@H](NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1nnnn1C	ZINC001161863264	779847288	/nfs/dbraw/zinc/84/72/88/779847288.db2.gz	GXBMOCRXQKBEEY-ZCFIWIBFSA-N	-1	1	323.317	-1.723	20	0		DAADMM
CS(C)(=O)=NC(=O)CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001162644828	779861977	/nfs/dbraw/zinc/86/19/77/779861977.db2.gz	AKAXMLLDOWVJEU-UHFFFAOYSA-N	-1	1	316.339	-1.703	20	0		DAADMM
O=C(Cn1cnnn1)NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1	ZINC001163349387	779868209	/nfs/dbraw/zinc/86/82/09/779868209.db2.gz	VHBDHBHBVVLUIU-UHFFFAOYSA-N	-1	1	321.345	-1.427	20	0		DAADMM
Cc1cc2c(c(N3CC(N4CCNC(=O)C4)C3)n1)C(=O)[N-]C2=O	ZINC001165115067	779880185	/nfs/dbraw/zinc/88/01/85/779880185.db2.gz	VBXUPUAOPNUBAT-UHFFFAOYSA-N	-1	1	315.333	-1.106	20	0		DAADMM
COC(=O)NCC(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001207541445	779921542	/nfs/dbraw/zinc/92/15/42/779921542.db2.gz	GMTMKFKDLYVPRT-QMMMGPOBSA-N	-1	1	312.330	-1.053	20	0		DAADMM
C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC001207854897	779927753	/nfs/dbraw/zinc/92/77/53/779927753.db2.gz	RISNZKLOGHBEPV-PSASIEDQSA-N	-1	1	311.342	-1.356	20	0		DAADMM
C[C@H](NC(N)=O)C(=O)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001207908801	779928806	/nfs/dbraw/zinc/92/88/06/779928806.db2.gz	GIMPOUNGNDWKQJ-JGVFFNPUSA-N	-1	1	311.346	-1.352	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CC(=O)N(C)C	ZINC001209246853	779947217	/nfs/dbraw/zinc/94/72/17/779947217.db2.gz	MWYKYORSZSBHHA-NXEZZACHSA-N	-1	1	324.385	-1.477	20	0		DAADMM
C[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001209554378	779954198	/nfs/dbraw/zinc/95/41/98/779954198.db2.gz	OUMJSPTYHMPMRZ-NXEZZACHSA-N	-1	1	323.353	-2.152	20	0		DAADMM
COC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001214234728	779991920	/nfs/dbraw/zinc/99/19/20/779991920.db2.gz	CWEBDLLYWBKHLG-HTQZYQBOSA-N	-1	1	312.330	-1.197	20	0		DAADMM
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)C1(N)CC1	ZINC001218601497	780034416	/nfs/dbraw/zinc/03/44/16/780034416.db2.gz	CWZHSCYKCHTJCC-UHFFFAOYSA-N	-1	1	304.288	-2.160	20	0		DAADMM
CSCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001219161168	780058864	/nfs/dbraw/zinc/05/88/64/780058864.db2.gz	UOTHFJJLQMHKMB-BDAKNGLRSA-N	-1	1	315.399	-1.477	20	0		DAADMM
CS[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001219241783	780071406	/nfs/dbraw/zinc/07/14/06/780071406.db2.gz	CLAHVKNIZSCAPI-HLTSFMKQSA-N	-1	1	315.399	-1.479	20	0		DAADMM
COCCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001219257056	780074105	/nfs/dbraw/zinc/07/41/05/780074105.db2.gz	WCWQOHRYNSGPRP-ZJUUUORDSA-N	-1	1	313.358	-1.804	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)CCC3CC3)[C@@H](O)C2)nc1=O	ZINC001219398961	780089383	/nfs/dbraw/zinc/08/93/83/780089383.db2.gz	DLMPXVBMTMQYFE-MNOVXSKESA-N	-1	1	309.370	-1.040	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)CCC(F)F)[C@@H](O)C2)nc1=O	ZINC001220017993	780170455	/nfs/dbraw/zinc/17/04/55/780170455.db2.gz	VDAVQRKGXLWDTB-SFYZADRCSA-N	-1	1	319.312	-1.185	20	0		DAADMM
CC(C)[C@H](F)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001220174929	780188399	/nfs/dbraw/zinc/18/83/99/780188399.db2.gz	PNFHNJFLJLCZCO-YWVKMMECSA-N	-1	1	315.349	-1.236	20	0		DAADMM
CCC1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CC1	ZINC001220288488	780199499	/nfs/dbraw/zinc/19/94/99/780199499.db2.gz	YWWLZOBVGPQMTL-ZJUUUORDSA-N	-1	1	309.370	-1.040	20	0		DAADMM
N[C@@H](Cc1nnn[n-]1)C(=O)N[C@@H]1c2ccccc2CNC1=O	ZINC001220403608	780210537	/nfs/dbraw/zinc/21/05/37/780210537.db2.gz	XAEMBLGDXNFYCH-GXSJLCMTSA-N	-1	1	301.310	-1.443	20	0		DAADMM
O=S(=O)([O-])C[C@@H](C[n+]1ccccc1)OCc1nn[n-]n1	ZINC001223027674	780314002	/nfs/dbraw/zinc/31/40/02/780314002.db2.gz	RJGFSVQAJKRRJD-SECBINFHSA-O	-1	1	300.320	-1.040	20	0		DAADMM
O=C([O-])C[C@@H](C(=O)OCCC[NH+]1CCOCC1)[C@H](O)C(=O)[O-]	ZINC001224868329	780324252	/nfs/dbraw/zinc/32/42/52/780324252.db2.gz	SMHRNQLPTDWSHC-KOLCDFICSA-N	-1	1	319.310	-1.212	20	0		DAADMM
NC(=O)CN1CCC(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CC1	ZINC001225277800	780325678	/nfs/dbraw/zinc/32/56/78/780325678.db2.gz	HCYDWXWEULSCQR-UHFFFAOYSA-N	-1	1	312.330	-1.997	20	0		DAADMM
C[C@@H]1C[C@H]1CN1C[C@@H]2C(C(=O)N=c3nn[n-]n3C)=NO[C@@H]2C1	ZINC001277133961	780334417	/nfs/dbraw/zinc/33/44/17/780334417.db2.gz	KWEGXQRFAPWOQA-XFWSIPNHSA-N	-1	1	305.342	-1.087	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001230658677	780369036	/nfs/dbraw/zinc/36/90/36/780369036.db2.gz	DNNLNYXZFQQPCD-MWLCHTKSSA-N	-1	1	324.385	-1.334	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001230658676	780369724	/nfs/dbraw/zinc/36/97/24/780369724.db2.gz	DNNLNYXZFQQPCD-KOLCDFICSA-N	-1	1	324.385	-1.334	20	0		DAADMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)Cn1cnnn1	ZINC001230749122	780373393	/nfs/dbraw/zinc/37/33/93/780373393.db2.gz	KURWTOCLARWYLJ-VIFPVBQESA-N	-1	1	321.345	-2.172	20	0		DAADMM
C[C@@]1(C2CC2)NC(=O)N(CC(=O)NN2CC(=O)[N-]C2=O)C1=O	ZINC001248613128	780461253	/nfs/dbraw/zinc/46/12/53/780461253.db2.gz	VYGUTVFNCFXVPL-LBPRGKRZSA-N	-1	1	309.282	-1.710	20	0		DAADMM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C(CO)(CO)CO	ZINC001258457793	780522205	/nfs/dbraw/zinc/52/22/05/780522205.db2.gz	GOKKKYBGYRXQSM-UHFFFAOYSA-N	-1	1	313.763	-1.624	20	0		DAADMM
NC(=O)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C(N)=O	ZINC001258950936	780523758	/nfs/dbraw/zinc/52/37/58/780523758.db2.gz	FMWNSCVEHFVCHB-ZETCQYMHSA-N	-1	1	307.278	-1.028	20	0		DAADMM
NC(=O)CNC(=O)CNC(=O)C[N-]S(=O)(=O)C(F)F	ZINC001259965068	780527365	/nfs/dbraw/zinc/52/73/65/780527365.db2.gz	UOTCVDOPRHGWFD-UHFFFAOYSA-N	-1	1	302.259	-3.154	20	0		DAADMM
CN(Cc1nnc[nH]1)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001261644451	780553253	/nfs/dbraw/zinc/55/32/53/780553253.db2.gz	BWBSAVHGWZREDM-AMIZOPFISA-N	-1	1	323.309	-1.677	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCCNC(=O)C(F)F	ZINC001283161899	780747630	/nfs/dbraw/zinc/74/76/30/780747630.db2.gz	ACTBOWARMNBHDG-UHFFFAOYSA-N	-1	1	318.280	-1.186	20	0		DAADMM
CN(C)C(=O)CC(=O)N[C@H](CO)CNC(=O)c1ncccc1[O-]	ZINC001287765559	780925018	/nfs/dbraw/zinc/92/50/18/780925018.db2.gz	MVWCZFDESHURMZ-VIFPVBQESA-N	-1	1	324.337	-1.528	20	0		DAADMM
CCC(=O)N1CC[C@@H](C(=O)NCCNCc2n[nH]c(=O)[n-]2)C1	ZINC001146901800	781420156	/nfs/dbraw/zinc/42/01/56/781420156.db2.gz	GNWZQRNAGGZBHD-SECBINFHSA-N	-1	1	310.358	-1.025	20	0		DAADMM
CCC(=O)N1CC[C@H](C(=O)NCCNCc2n[nH]c(=O)[n-]2)C1	ZINC001146901801	781421406	/nfs/dbraw/zinc/42/14/06/781421406.db2.gz	GNWZQRNAGGZBHD-VIFPVBQESA-N	-1	1	310.358	-1.025	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)[C@@H]1CCc2n[nH]nc2C1	ZINC001147688289	781453503	/nfs/dbraw/zinc/45/35/03/781453503.db2.gz	KEMNQSMVVVPQCO-SSDOTTSWSA-N	-1	1	306.330	-1.361	20	0		DAADMM
Cc1ncc(CO)c(C(=O)N2CC(NS(C)(=O)=O)C2)c1[O-]	ZINC001147838722	781458465	/nfs/dbraw/zinc/45/84/65/781458465.db2.gz	YDLKKOHOISNCBF-UHFFFAOYSA-N	-1	1	315.351	-1.038	20	0		DAADMM
CNC(=O)c1ccc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)cn1	ZINC001148173927	781466495	/nfs/dbraw/zinc/46/64/95/781466495.db2.gz	OGQFTNWVLWJNLI-UHFFFAOYSA-N	-1	1	319.325	-1.216	20	0		DAADMM
C[C@@]12CN(CC(N)=O)C[C@@H]1CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C2	ZINC001091823801	781487151	/nfs/dbraw/zinc/48/71/51/781487151.db2.gz	KECGIUWPMHEDNX-UHLUBPPHSA-N	-1	1	322.325	-1.838	20	0		DAADMM
C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@H]1COC(=O)N1	ZINC001092579961	781500383	/nfs/dbraw/zinc/50/03/83/781500383.db2.gz	DFUBVZXHCVGNPL-IWSPIJDZSA-N	-1	1	324.341	-1.197	20	0		DAADMM
O=C(NCCNc1ncnc2[nH]cnc21)c1n[nH]c(=O)[n-]c1=O	ZINC001094253587	781534075	/nfs/dbraw/zinc/53/40/75/781534075.db2.gz	SRUDEHZNJBLNJY-UHFFFAOYSA-N	-1	1	317.269	-1.257	20	0		DAADMM
CCC(=O)N[C@H]1CC(=O)N(C2CN(Cc3nc(=O)n(C)[n-]3)C2)C1	ZINC001094684312	781553771	/nfs/dbraw/zinc/55/37/71/781553771.db2.gz	VTYZDXORYGFXSH-VIFPVBQESA-N	-1	1	322.369	-1.580	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)NCCCNCc1nncs1	ZINC001174714654	781598604	/nfs/dbraw/zinc/59/86/04/781598604.db2.gz	YTAZGFVSIPQOQL-UHFFFAOYSA-N	-1	1	313.343	-1.163	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H](CO)CC1OCCO1	ZINC001176633295	781620418	/nfs/dbraw/zinc/62/04/18/781620418.db2.gz	YVQFOLCLHTXOPW-SECBINFHSA-N	-1	1	313.310	-1.833	20	0		DAADMM
COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)Cc1nn[n-]n1	ZINC001176840818	781623305	/nfs/dbraw/zinc/62/33/05/781623305.db2.gz	NYAUKUNFHMQQFY-XRGYYRRGSA-N	-1	1	315.311	-1.642	20	0		DAADMM
Cc1noc([C@]23COC[C@H]2CN(C(=O)Cc2nn[n-]n2)C3)n1	ZINC001176840724	781623874	/nfs/dbraw/zinc/62/38/74/781623874.db2.gz	WBMIRHRKSVTCJJ-PRHODGIISA-N	-1	1	305.298	-1.140	20	0		DAADMM
COC(=O)NCC(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001178211280	781644718	/nfs/dbraw/zinc/64/47/18/781644718.db2.gz	XYCQROUPGYXFHW-YUMQZZPRSA-N	-1	1	312.330	-1.055	20	0		DAADMM
C[C@@H](C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)N1CCCC1	ZINC001180586258	781672885	/nfs/dbraw/zinc/67/28/85/781672885.db2.gz	VAICPQVKGBGRNZ-CIUDSAMLSA-N	-1	1	305.356	-1.011	20	0		DAADMM
Nc1[nH]c(=O)[n-]c(=O)c1NC(=O)CN1CCS(=O)(=O)CC1	ZINC001180591054	781673502	/nfs/dbraw/zinc/67/35/02/781673502.db2.gz	LMLHDNKUSSAOLX-UHFFFAOYSA-N	-1	1	317.327	-1.861	20	0		DAADMM
O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)[C@@H]1CCO1	ZINC001181587162	781689008	/nfs/dbraw/zinc/68/90/08/781689008.db2.gz	IOYHZAJLRYZTFW-UWVGGRQHSA-N	-1	1	310.310	-1.183	20	0		DAADMM
CN(CC(=O)Nc1[n-]c(=O)nc2nc[nH]c21)S(C)(=O)=O	ZINC001182884108	781714955	/nfs/dbraw/zinc/71/49/55/781714955.db2.gz	WQMBQMPSDCILID-UHFFFAOYSA-N	-1	1	300.300	-1.112	20	0		DAADMM
CS(=O)(=O)N1CC(C(=O)Nc2c(N)[nH]c(=O)[n-]c2=O)C1	ZINC001183017688	781719677	/nfs/dbraw/zinc/71/96/77/781719677.db2.gz	PEIDMECLJDJGSG-UHFFFAOYSA-N	-1	1	303.300	-1.700	20	0		DAADMM
C[C@H]1[C@H](NC(=O)[C@H]2CN(C)CCN2C)C(=O)N1S(=O)(=O)[O-]	ZINC001185261056	781756960	/nfs/dbraw/zinc/75/69/60/781756960.db2.gz	AELXMCZDRQKFDB-YIZRAAEISA-N	-1	1	320.371	-2.250	20	0		DAADMM
C[C@H]1[C@H](NC(=O)c2ccncc2O)C(=O)N1S(=O)(=O)[O-]	ZINC001188638390	781823108	/nfs/dbraw/zinc/82/31/08/781823108.db2.gz	MTDSFZKTTWVBIF-XNCJUZBTSA-N	-1	1	301.280	-1.081	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001188748132	781823908	/nfs/dbraw/zinc/82/39/08/781823908.db2.gz	ZJVHMYDDYUZIJD-KOLCDFICSA-N	-1	1	324.385	-1.334	20	0		DAADMM
Cn1c(=O)cc(C(=O)NCCCC[P@](=O)([O-])O)n(C)c1=O	ZINC001189439240	781842473	/nfs/dbraw/zinc/84/24/73/781842473.db2.gz	BUGJRQZRLCHLTJ-UHFFFAOYSA-N	-1	1	319.254	-1.228	20	0		DAADMM
CCNC(=O)CC(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001189779464	781852298	/nfs/dbraw/zinc/85/22/98/781852298.db2.gz	SHSQJXLLCCKPRL-JTQLQIEISA-N	-1	1	324.385	-1.333	20	0		DAADMM
NC(=O)C([N-]S(=O)(=O)Cc1ccc(F)cc1F)C(N)=O	ZINC001189838253	781853791	/nfs/dbraw/zinc/85/37/91/781853791.db2.gz	JGVOMDFEHSTYQJ-UHFFFAOYSA-N	-1	1	307.278	-1.277	20	0		DAADMM
CC(=O)NCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001190676507	781878614	/nfs/dbraw/zinc/87/86/14/781878614.db2.gz	QXHGXQBCATUGNP-RKDXNWHRSA-N	-1	1	312.330	-3.094	20	0		DAADMM
C[C@H]1[C@H](NS(=O)(=O)c2ncc[nH]2)C(=O)N1S(=O)(=O)[O-]	ZINC001190745338	781879010	/nfs/dbraw/zinc/87/90/10/781879010.db2.gz	MICXHCCOOFXKEA-WHFBIAKZSA-N	-1	1	310.313	-1.910	20	0		DAADMM
CON(C)C(=O)C[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C	ZINC001191492376	781911389	/nfs/dbraw/zinc/91/13/89/781911389.db2.gz	XANUOJSPAKHBPD-QGZVFWFLSA-N	-1	1	302.378	-1.585	20	0		DAADMM
CSc1ncc(C(=O)N2CN[C@H](N)[C@@H]3NCN[C@@H]32)c(=O)[n-]1	ZINC001191440913	781912212	/nfs/dbraw/zinc/91/22/12/781912212.db2.gz	OVGQRHZPBHFDRW-BIIVOSGPSA-N	-1	1	311.371	-1.963	20	0		DAADMM
C[C@H](CNC(=O)CCc1cn(C)nn1)NCc1n[nH]c(=O)[n-]1	ZINC001376915701	921746810	/nfs/dbraw/zinc/74/68/10/921746810.db2.gz	BBUFUPRNYPTGTM-MRVPVSSYSA-N	-1	1	308.346	-1.134	20	0		DAADMM
CN(CCNC(=O)Cc1cnn(C)c1)Cc1nc(=O)n(C)[n-]1	ZINC001377134961	921770262	/nfs/dbraw/zinc/77/02/62/921770262.db2.gz	HOMRNQFAZDDJCP-UHFFFAOYSA-N	-1	1	307.358	-1.367	20	0		DAADMM
CCC(=O)N[C@H](C)C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001377161594	921777938	/nfs/dbraw/zinc/77/79/38/921777938.db2.gz	LSIHVMAISMPPLN-SECBINFHSA-N	-1	1	312.374	-1.429	20	0		DAADMM
CN(CCNC(=O)CCN1CCCC1=O)Cc1nc(=O)n(C)[n-]1	ZINC001377264969	921795455	/nfs/dbraw/zinc/79/54/55/921795455.db2.gz	FYGLRIYLRPZVOF-UHFFFAOYSA-N	-1	1	324.385	-1.331	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)c2ncn(C)n2)C1	ZINC000971490302	916086419	/nfs/dbraw/zinc/08/64/19/916086419.db2.gz	ZUMODNJNSMCIQY-VIFPVBQESA-N	-1	1	320.357	-1.417	20	0		DAADMM
C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001088550032	916108368	/nfs/dbraw/zinc/10/83/68/916108368.db2.gz	MGVRTFMEYXQXBE-HRDYMLBCSA-N	-1	1	324.341	-1.704	20	0		DAADMM
COC(=O)CS(=O)(=O)[N-]Cc1noc(C(=O)N(C)C)n1	ZINC001259029274	916175422	/nfs/dbraw/zinc/17/54/22/916175422.db2.gz	OMNURTHTXXNZHZ-UHFFFAOYSA-N	-1	1	306.300	-1.636	20	0		DAADMM
COC(=O)CS(=O)(=O)[N-][C@@H](CC(=O)OC(C)(C)C)C(N)=O	ZINC001259033319	916176195	/nfs/dbraw/zinc/17/61/95/916176195.db2.gz	KLJOZWALNCYBHR-ZETCQYMHSA-N	-1	1	324.355	-1.336	20	0		DAADMM
CN(C(=O)CC(N)=O)C1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001316931795	916238615	/nfs/dbraw/zinc/23/86/15/916238615.db2.gz	OSHRFAFTDDBAGC-UHFFFAOYSA-N	-1	1	310.358	-1.593	20	0		DAADMM
CC1(C)NC(=O)N(CCCC(=O)NN2CC(=O)[N-]C2=O)C1=O	ZINC001317853208	916353376	/nfs/dbraw/zinc/35/33/76/916353376.db2.gz	XTIPGQVEUDQHLR-UHFFFAOYSA-N	-1	1	311.298	-1.320	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)CCCCC(N)=O)C2)nc1=O	ZINC001318292631	916380399	/nfs/dbraw/zinc/38/03/99/916380399.db2.gz	RBWWTUIBJVQIQG-JTQLQIEISA-N	-1	1	324.385	-1.155	20	0		DAADMM
NC(=O)CN1CC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001318360175	916389531	/nfs/dbraw/zinc/38/95/31/916389531.db2.gz	IIOVITMLJJVFRS-SECBINFHSA-N	-1	1	309.326	-2.398	20	0		DAADMM
O=C(CCn1cc[nH]c(=O)c1=O)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001318461332	916396328	/nfs/dbraw/zinc/39/63/28/916396328.db2.gz	MUVMRRIGUSWKBL-QMMMGPOBSA-N	-1	1	321.297	-1.960	20	0		DAADMM
CN(CC1(O)CCOCC1)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001320529552	916512321	/nfs/dbraw/zinc/51/23/21/916512321.db2.gz	UKVKBHINIGNKDX-UHFFFAOYSA-N	-1	1	311.338	-1.073	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1	ZINC001321642248	916585357	/nfs/dbraw/zinc/58/53/57/916585357.db2.gz	MILKNMBCVFANMI-ZJUUUORDSA-N	-1	1	322.321	-1.116	20	0		DAADMM
C[C@H](CCS(C)(=O)=O)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001322589532	916648005	/nfs/dbraw/zinc/64/80/05/916648005.db2.gz	VFMXFRHSUWDTPJ-SECBINFHSA-N	-1	1	317.367	-1.134	20	0		DAADMM
COC[C@H](CO)NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001322979494	916681386	/nfs/dbraw/zinc/68/13/86/916681386.db2.gz	JSIJKARFQYXVIK-QMMMGPOBSA-N	-1	1	307.310	-1.596	20	0		DAADMM
CN(CCOCCO)C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001322980804	916685164	/nfs/dbraw/zinc/68/51/64/916685164.db2.gz	VCORANMLQNVGSB-UHFFFAOYSA-N	-1	1	321.337	-1.252	20	0		DAADMM
COC(=O)c1ccc(NC(=O)C(=O)NN2CC(=O)[N-]C2=O)cc1	ZINC001323273281	916707621	/nfs/dbraw/zinc/70/76/21/916707621.db2.gz	KBNHLFLLVLGNLN-UHFFFAOYSA-N	-1	1	320.261	-1.005	20	0		DAADMM
COC(=O)CCNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001323659102	916742008	/nfs/dbraw/zinc/74/20/08/916742008.db2.gz	MGHOJODNYRTQOR-UHFFFAOYSA-N	-1	1	305.294	-1.040	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NC[C@@H]1CCCS1(=O)=O	ZINC001324671454	916794775	/nfs/dbraw/zinc/79/47/75/916794775.db2.gz	CWMDQPVRBRRPEK-VIFPVBQESA-N	-1	1	315.351	-1.380	20	0		DAADMM
O=C(Cn1cnnn1)N1CC[C@@H](CCNCc2n[nH]c(=O)[n-]2)C1	ZINC001326191464	916905097	/nfs/dbraw/zinc/90/50/97/916905097.db2.gz	QKPDZXMDWARLFR-SECBINFHSA-N	-1	1	321.345	-1.475	20	0		DAADMM
COCCN1CC[C@H](NC(=O)C(=O)[N-]OC[C@H]2CCOC2)C1	ZINC001326493655	916923432	/nfs/dbraw/zinc/92/34/32/916923432.db2.gz	UKHMKBKYIZJQGF-RYUDHWBXSA-N	-1	1	315.370	-1.092	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)C(=O)N1CCCN(CC)CC1	ZINC001327037324	916983683	/nfs/dbraw/zinc/98/36/83/916983683.db2.gz	FTVCVPFPOWXYND-UHFFFAOYSA-N	-1	1	300.359	-1.276	20	0		DAADMM
CCN1C[C@@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)CC1=O	ZINC001327426437	917015479	/nfs/dbraw/zinc/01/54/79/917015479.db2.gz	IXNSNQGLYOMAMX-SNVBAGLBSA-N	-1	1	308.338	-1.089	20	0		DAADMM
C[C@H]1COCCN1CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001328051072	917060404	/nfs/dbraw/zinc/06/04/04/917060404.db2.gz	IEMRGVSNCRZRPL-NSHDSACASA-N	-1	1	310.354	-1.236	20	0		DAADMM
CNC(=O)[C@@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001328076479	917060687	/nfs/dbraw/zinc/06/06/87/917060687.db2.gz	SCQHTFCKRHMWDV-SNVBAGLBSA-N	-1	1	308.338	-1.089	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)C(=O)N(CC)[C@@H]1CCN(C)C1	ZINC001329111598	917142630	/nfs/dbraw/zinc/14/26/30/917142630.db2.gz	CGBIACNWAYGOGB-SNVBAGLBSA-N	-1	1	300.359	-1.277	20	0		DAADMM
C[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)S(C)(=O)=O	ZINC001334558695	917497112	/nfs/dbraw/zinc/49/71/12/917497112.db2.gz	PNOMKBAEQBECGC-QMMMGPOBSA-N	-1	1	303.340	-1.524	20	0		DAADMM
CC1N=NC(=S)N1CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001339778686	917722899	/nfs/dbraw/zinc/72/28/99/917722899.db2.gz	BWNALBAUFDNCDO-UHFFFAOYSA-N	-1	1	324.366	-1.068	20	0		DAADMM
COC[C@]1(C)CN(C(=O)[C@@]2(C(=O)[O-])CNCCO2)CCO1	ZINC001342254234	917780906	/nfs/dbraw/zinc/78/09/06/917780906.db2.gz	CYAMPNDROBXHNK-QWHCGFSZSA-N	-1	1	302.327	-1.307	20	0		DAADMM
COC[C@@H](O)CCNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001342398262	917784418	/nfs/dbraw/zinc/78/44/18/917784418.db2.gz	ZPXWEOLKPFFRII-VIFPVBQESA-N	-1	1	321.337	-1.206	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)NC[C@H](C)N1CCN(C)CC1	ZINC001346438325	917890084	/nfs/dbraw/zinc/89/00/84/917890084.db2.gz	VBLKCLFNVBPFGY-NSHDSACASA-N	-1	1	301.391	-1.011	20	0		DAADMM
C[C@@H]1[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)CCS1(=O)=O	ZINC001348411462	917945782	/nfs/dbraw/zinc/94/57/82/917945782.db2.gz	ZBYDNLKMCDWVAI-RKDXNWHRSA-N	-1	1	315.351	-1.382	20	0		DAADMM
CS(=O)(=O)N1CCC[C@H](C(=O)NN2CC(=O)[N-]C2=O)C1	ZINC001348459934	917948155	/nfs/dbraw/zinc/94/81/55/917948155.db2.gz	XLYUSGRQWMBWSD-ZETCQYMHSA-N	-1	1	304.328	-1.759	20	0		DAADMM
CN1CC(=O)Nc2cc(C(=O)NN3CC(=O)[N-]C3=O)cnc21	ZINC001351693208	918103189	/nfs/dbraw/zinc/10/31/89/918103189.db2.gz	OQQXGDLLXNWOOA-UHFFFAOYSA-N	-1	1	304.266	-1.334	20	0		DAADMM
CCCN(C(=O)C(=O)NCC(=O)[N-]OC)[C@H]1CCN(C)C1	ZINC001351647643	918103727	/nfs/dbraw/zinc/10/37/27/918103727.db2.gz	SKMLJDPWLKCQKZ-JTQLQIEISA-N	-1	1	300.359	-1.277	20	0		DAADMM
CN1CCN(CCNC(=O)c2c[n-]n3c2nccc3=O)CC1	ZINC001361731113	918397406	/nfs/dbraw/zinc/39/74/06/918397406.db2.gz	LOQANZWRLZCHCB-UHFFFAOYSA-N	-1	1	304.354	-1.000	20	0		DAADMM
O=C(CNS(=O)(=O)c1cccc(F)c1)NCc1nn[n-]n1	ZINC001361766835	918401373	/nfs/dbraw/zinc/40/13/73/918401373.db2.gz	YETNBAOCASTWQZ-UHFFFAOYSA-N	-1	1	314.302	-1.067	20	0		DAADMM
O=C(C1CCS(=O)(=O)CC1)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001361779816	918403293	/nfs/dbraw/zinc/40/32/93/918403293.db2.gz	DPHYYUAYQYZBKW-SECBINFHSA-N	-1	1	315.355	-1.076	20	0		DAADMM
O=C([C@H]1CCCS1(=O)=O)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001361785094	918404622	/nfs/dbraw/zinc/40/46/22/918404622.db2.gz	RAVCWDMHHSUZAO-HTQZYQBOSA-N	-1	1	301.328	-1.323	20	0		DAADMM
O=C([C@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001361921027	918424658	/nfs/dbraw/zinc/42/46/58/918424658.db2.gz	CMFFEFDSSWWFHV-JGVFFNPUSA-N	-1	1	301.328	-1.466	20	0		DAADMM
CN(C)CC(=O)N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001362035692	918442003	/nfs/dbraw/zinc/44/20/03/918442003.db2.gz	SFBXKNXGSUYCCW-UHFFFAOYSA-N	-1	1	310.314	-1.871	20	0		DAADMM
O=C([C@@H]1CCS(=O)(=O)N1)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001362087822	918455527	/nfs/dbraw/zinc/45/55/27/918455527.db2.gz	GNSXPVOOIOODFB-BQBZGAKWSA-N	-1	1	302.316	-2.209	20	0		DAADMM
CN1C(=O)CO[C@H](C(=O)NCc2nn[n-]n2)[C@H]1c1cccnc1	ZINC001362128381	918463296	/nfs/dbraw/zinc/46/32/96/918463296.db2.gz	UKYDSIAVVBVCIG-NEPJUHHUSA-N	-1	1	317.309	-1.191	20	0		DAADMM
CS(=O)(=O)N[C@H]1CCN(C(=O)CCCc2nn[n-]n2)C1	ZINC001362143603	918466760	/nfs/dbraw/zinc/46/67/60/918466760.db2.gz	OJJHQIWNBPDTDS-QMMMGPOBSA-N	-1	1	302.360	-1.328	20	0		DAADMM
CS(=O)(=O)N1CCC[C@@H](NC(=O)CCc2nn[n-]n2)C1	ZINC001362149186	918468271	/nfs/dbraw/zinc/46/82/71/918468271.db2.gz	NFHHPKLWZGTLSF-MRVPVSSYSA-N	-1	1	302.360	-1.328	20	0		DAADMM
CS(=O)(=O)N[C@@H]1CCN(C(=O)CCCc2nn[n-]n2)C1	ZINC001362143597	918468297	/nfs/dbraw/zinc/46/82/97/918468297.db2.gz	OJJHQIWNBPDTDS-MRVPVSSYSA-N	-1	1	302.360	-1.328	20	0		DAADMM
Cc1cc(C)n(CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c(=O)n1	ZINC001362243550	918483770	/nfs/dbraw/zinc/48/37/70/918483770.db2.gz	CWRDAUBBSYKTDO-SNVBAGLBSA-N	-1	1	319.325	-1.027	20	0		DAADMM
CS(=O)(=O)N1CC(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1	ZINC001362247589	918486568	/nfs/dbraw/zinc/48/65/68/918486568.db2.gz	UMCYMGMYPBPNCS-QMMMGPOBSA-N	-1	1	316.343	-2.009	20	0		DAADMM
O=C([C@H]1CCS(=O)(=O)N1)N1CCSC[C@@H]1c1nn[n-]n1	ZINC001362370363	918505318	/nfs/dbraw/zinc/50/53/18/918505318.db2.gz	VYYVBEGJSLGWPW-RNFRBKRXSA-N	-1	1	318.384	-1.492	20	0		DAADMM
O=C([C@@H]1CCS(=O)(=O)N1)N1CCSC[C@@H]1c1nn[n-]n1	ZINC001362370358	918506086	/nfs/dbraw/zinc/50/60/86/918506086.db2.gz	VYYVBEGJSLGWPW-NKWVEPMBSA-N	-1	1	318.384	-1.492	20	0		DAADMM
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCSC[C@H]2c2nn[n-]n2)O1	ZINC001362370972	918506195	/nfs/dbraw/zinc/50/61/95/918506195.db2.gz	XEVOQQKWVYQSOS-BIIVOSGPSA-N	-1	1	312.355	-1.151	20	0		DAADMM
CNC(=O)N1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CC1	ZINC001362360728	918506814	/nfs/dbraw/zinc/50/68/14/918506814.db2.gz	VKYLPPBLADNHBP-UHFFFAOYSA-N	-1	1	311.298	-1.006	20	0		DAADMM
CCC[C@H](NC(=O)C1(OC)CS(=O)(=O)C1)c1nn[n-]n1	ZINC001362385123	918511191	/nfs/dbraw/zinc/51/11/91/918511191.db2.gz	KAAQYACPQCNWBV-ZETCQYMHSA-N	-1	1	303.344	-1.029	20	0		DAADMM
COCC(=O)NCCC(=O)N1CCSC[C@H]1c1nn[n-]n1	ZINC001362403701	918514094	/nfs/dbraw/zinc/51/40/94/918514094.db2.gz	ASTPKHPPJDNLKO-QMMMGPOBSA-N	-1	1	314.371	-1.031	20	0		DAADMM
CN(C)S(=O)(=O)CC(=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001362437027	918521480	/nfs/dbraw/zinc/52/14/80/918521480.db2.gz	NVJFKGRDSMCIMT-UHFFFAOYSA-N	-1	1	318.359	-2.099	20	0		DAADMM
CO[C@@]1(C(=O)N(C)C[C@H](C)c2nn[n-]n2)CCS(=O)(=O)C1	ZINC001362502730	918536378	/nfs/dbraw/zinc/53/63/78/918536378.db2.gz	RLLZYWVKJMJYGB-KWQFWETISA-N	-1	1	317.371	-1.035	20	0		DAADMM
CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC001362558589	918546668	/nfs/dbraw/zinc/54/66/68/918546668.db2.gz	AVZNKIUMECRNNM-SECBINFHSA-N	-1	1	309.330	-1.842	20	0		DAADMM
COC(=O)CNC(=O)[C@H]1CCCN1C(=O)CCc1nn[n-]n1	ZINC001362574900	918551995	/nfs/dbraw/zinc/55/19/95/918551995.db2.gz	BNLMZVHVTQPGAJ-MRVPVSSYSA-N	-1	1	310.314	-1.588	20	0		DAADMM
CN(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)[C@@H]1CCC[C@H]1O	ZINC001362569291	918552503	/nfs/dbraw/zinc/55/25/03/918552503.db2.gz	OOGKKBVYEGUHJY-NXEZZACHSA-N	-1	1	321.399	-1.586	20	0		DAADMM
CNC(=O)NC[C@@H]1CN(C(=O)CCCc2nn[n-]n2)CCO1	ZINC001362719614	918586096	/nfs/dbraw/zinc/58/60/96/918586096.db2.gz	LKXDJAXGCIDXEY-SECBINFHSA-N	-1	1	311.346	-1.321	20	0		DAADMM
O=C(CS(=O)(=O)C1CC1)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001362722318	918586705	/nfs/dbraw/zinc/58/67/05/918586705.db2.gz	FYISANBVVOEEEZ-UHFFFAOYSA-N	-1	1	315.355	-1.413	20	0		DAADMM
CS(=O)(=O)C1(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)CC1	ZINC001362730310	918592338	/nfs/dbraw/zinc/59/23/38/918592338.db2.gz	JZGXNAJEFRSLRJ-UHFFFAOYSA-N	-1	1	315.355	-1.413	20	0		DAADMM
O=C([C@@H]1CCS(=O)(=O)C1)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001362747328	918595668	/nfs/dbraw/zinc/59/56/68/918595668.db2.gz	IBTOPHVTJYEZJR-HTQZYQBOSA-N	-1	1	301.328	-1.466	20	0		DAADMM
O=C(CCn1cnccc1=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001362758629	918597367	/nfs/dbraw/zinc/59/73/67/918597367.db2.gz	IEWZRLZDVMKXME-SECBINFHSA-N	-1	1	305.298	-1.253	20	0		DAADMM
CC(=O)NCC(=O)N1CCCN(C(=O)CCc2nn[n-]n2)CC1	ZINC001362756269	918598034	/nfs/dbraw/zinc/59/80/34/918598034.db2.gz	DCEFYLGJYFPZKB-UHFFFAOYSA-N	-1	1	323.357	-1.671	20	0		DAADMM
O=C(CCn1cnccc1=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001362758630	918598182	/nfs/dbraw/zinc/59/81/82/918598182.db2.gz	IEWZRLZDVMKXME-VIFPVBQESA-N	-1	1	305.298	-1.253	20	0		DAADMM
O=C(CCCc1nn[n-]n1)NC[C@]12COC(=O)N1CCOC2	ZINC001362787354	918607237	/nfs/dbraw/zinc/60/72/37/918607237.db2.gz	BPJXJGFMIXWHPV-LBPRGKRZSA-N	-1	1	310.314	-1.140	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)NCC2N=NC(=O)N2C)co1	ZINC001362849924	918627122	/nfs/dbraw/zinc/62/71/22/918627122.db2.gz	BOQFYOODKANRAZ-UHFFFAOYSA-N	-1	1	315.311	-1.048	20	0		DAADMM
CN1C[C@H](O)C[C@]1(C)C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC001362898574	918638570	/nfs/dbraw/zinc/63/85/70/918638570.db2.gz	IMYBTFNXTCNFHD-LDYMZIIASA-N	-1	1	307.372	-1.976	20	0		DAADMM
CCS(=O)(=O)N(C)CC(=O)N[C@H](COC)c1nn[n-]n1	ZINC001362907476	918640382	/nfs/dbraw/zinc/64/03/82/918640382.db2.gz	HEBSATMHCISZJE-SSDOTTSWSA-N	-1	1	306.348	-1.715	20	0		DAADMM
COC[C@@H](NC(=O)CN1CCCCS1(=O)=O)c1nn[n-]n1	ZINC001362905241	918641481	/nfs/dbraw/zinc/64/14/81/918641481.db2.gz	WUURDRUUTYQZAM-MRVPVSSYSA-N	-1	1	318.359	-1.571	20	0		DAADMM
C[C@@]1(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)CCC(=O)NC1	ZINC001363025437	918670225	/nfs/dbraw/zinc/67/02/25/918670225.db2.gz	BHQSQDYDKZFMLJ-GFCCVEGCSA-N	-1	1	308.342	-1.074	20	0		DAADMM
CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CCCc1nn[n-]n1	ZINC001363047023	918677697	/nfs/dbraw/zinc/67/76/97/918677697.db2.gz	IRVQZWOFBGOTTJ-HTQZYQBOSA-N	-1	1	303.344	-1.549	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N1CC[C@H](O)[C@H](CO)C1	ZINC001363078060	918685344	/nfs/dbraw/zinc/68/53/44/918685344.db2.gz	XKPODZSFZOZAHA-UWVGGRQHSA-N	-1	1	309.322	-1.281	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N1CC[C@H](O)[C@@H](CO)C1	ZINC001363078114	918685478	/nfs/dbraw/zinc/68/54/78/918685478.db2.gz	XKPODZSFZOZAHA-ZJUUUORDSA-N	-1	1	309.322	-1.281	20	0		DAADMM
O=C([C@@H]1CCC2N=NC(=O)N2C1)N1CCOC[C@H]1c1nn[n-]n1	ZINC001363116544	918696198	/nfs/dbraw/zinc/69/61/98/918696198.db2.gz	MJINHTUJUUWYQF-SFYZADRCSA-N	-1	1	320.313	-1.341	20	0		DAADMM
CCOC(=O)c1nc(CNC(=O)CCNC(=O)COC)n[n-]1	ZINC001363120154	918700604	/nfs/dbraw/zinc/70/06/04/918700604.db2.gz	VXAAKAJREVXUKN-UHFFFAOYSA-N	-1	1	313.314	-1.250	20	0		DAADMM
CCOC(=O)c1n[n-]c(CNC(=O)CCNC(=O)COC)n1	ZINC001363120154	918700619	/nfs/dbraw/zinc/70/06/19/918700619.db2.gz	VXAAKAJREVXUKN-UHFFFAOYSA-N	-1	1	313.314	-1.250	20	0		DAADMM
O=C([C@H]1CCc2nncn2C1)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001363203066	918718574	/nfs/dbraw/zinc/71/85/74/918718574.db2.gz	HTIXSULANSEMFH-DTWKUNHWSA-N	-1	1	304.314	-1.046	20	0		DAADMM
O=C(C1=NN(CCO)C(=O)CC1)N1CCOC[C@H]1c1nn[n-]n1	ZINC001363202509	918719845	/nfs/dbraw/zinc/71/98/45/918719845.db2.gz	DDRXDMVLKQEJDX-VIFPVBQESA-N	-1	1	323.313	-1.930	20	0		DAADMM
O=C(CN1CCCS1(=O)=O)N1CCC(c2nn[n-]n2)CC1	ZINC001363197976	918720613	/nfs/dbraw/zinc/72/06/13/918720613.db2.gz	WFJNZBUFOQXMFF-UHFFFAOYSA-N	-1	1	314.371	-1.059	20	0		DAADMM
Cc1cc(C)n(CC(=O)N2CCOC[C@@H]2c2nn[n-]n2)c(=O)n1	ZINC001363204124	918721861	/nfs/dbraw/zinc/72/18/61/918721861.db2.gz	OCWRHSHGSCDHRJ-SNVBAGLBSA-N	-1	1	319.325	-1.027	20	0		DAADMM
Cc1cc(C)n(CC(=O)N2CCOC[C@H]2c2nn[n-]n2)c(=O)n1	ZINC001363204122	918723647	/nfs/dbraw/zinc/72/36/47/918723647.db2.gz	OCWRHSHGSCDHRJ-JTQLQIEISA-N	-1	1	319.325	-1.027	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@](C)(CO)C(=O)OC)o1	ZINC001363254269	918735790	/nfs/dbraw/zinc/73/57/90/918735790.db2.gz	XNXITXCUEYRCEZ-NSHDSACASA-N	-1	1	320.323	-1.159	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@](C)(CO)C(=O)OC)o1	ZINC001363254214	918735944	/nfs/dbraw/zinc/73/59/44/918735944.db2.gz	XNXITXCUEYRCEZ-LLVKDONJSA-N	-1	1	320.323	-1.159	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](O)[C@H](CO)C2)o1	ZINC001363251667	918737272	/nfs/dbraw/zinc/73/72/72/918737272.db2.gz	VOTCKBFTHGLJAA-JGVFFNPUSA-N	-1	1	304.324	-1.387	20	0		DAADMM
CC(=O)NCC(=O)NCC(=O)N1CCC(c2nn[n-]n2)CC1	ZINC001363282764	918747180	/nfs/dbraw/zinc/74/71/80/918747180.db2.gz	PVPHONZVDBDODA-UHFFFAOYSA-N	-1	1	309.330	-1.842	20	0		DAADMM
COCC(=O)N(C)CC(=O)NCc1nc2c(c(=O)[n-]1)COCC2	ZINC001363294838	918751686	/nfs/dbraw/zinc/75/16/86/918751686.db2.gz	SUJCTJLHLWKLLU-UHFFFAOYSA-N	-1	1	324.337	-1.024	20	0		DAADMM
O=C(CN1CCC(=O)NC1=O)N1CCC[C@@H](Cc2nn[n-]n2)C1	ZINC001363400349	918775367	/nfs/dbraw/zinc/77/53/67/918775367.db2.gz	QJDLGSMZVVGLGZ-VIFPVBQESA-N	-1	1	321.341	-1.077	20	0		DAADMM
COC[C@H](NC(=O)CCC(=O)N1CCOCC1)c1nn[n-]n1	ZINC001363438544	918788406	/nfs/dbraw/zinc/78/84/06/918788406.db2.gz	TZIPJCDJAWICHT-VIFPVBQESA-N	-1	1	312.330	-1.358	20	0		DAADMM
COC(=O)C[C@@H](O)CNC(=O)CNC(=O)c1ncccc1[O-]	ZINC001363508315	918806583	/nfs/dbraw/zinc/80/65/83/918806583.db2.gz	ONBNJHKQOWXZBG-MRVPVSSYSA-N	-1	1	311.294	-1.443	20	0		DAADMM
C[C@@H](NS(C)(=O)=O)C(=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001363510480	918809243	/nfs/dbraw/zinc/80/92/43/918809243.db2.gz	FONKUMMFXAEBCB-RQJHMYQMSA-N	-1	1	304.332	-1.963	20	0		DAADMM
CN1CCN(CC(=O)N2CCOC[C@H]2c2nn[n-]n2)CC1=O	ZINC001363514935	918809938	/nfs/dbraw/zinc/80/99/38/918809938.db2.gz	VYSYTJBQQWPYAG-VIFPVBQESA-N	-1	1	309.330	-2.126	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)[C@@H](C)O)o1	ZINC001363570317	918830825	/nfs/dbraw/zinc/83/08/25/918830825.db2.gz	LUHZQJGGXJGBHZ-MUWHJKNJSA-N	-1	1	320.323	-1.160	20	0		DAADMM
COC[C@H](NC(=O)Cn1c(C)cc(O)cc1=O)c1nn[n-]n1	ZINC001363585126	918834932	/nfs/dbraw/zinc/83/49/32/918834932.db2.gz	HDBBJSMLRHBQHS-VIFPVBQESA-N	-1	1	308.298	-1.121	20	0		DAADMM
COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1nn[n-]n1	ZINC001363665719	918856421	/nfs/dbraw/zinc/85/64/21/918856421.db2.gz	VZGICAMVWVELFH-ZETCQYMHSA-N	-1	1	317.327	-2.069	20	0		DAADMM
CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@H](c2nn[n-]n2)C1	ZINC001363719990	918864554	/nfs/dbraw/zinc/86/45/54/918864554.db2.gz	KHTSGYCMDLYXLS-IUCAKERBSA-N	-1	1	314.371	-1.060	20	0		DAADMM
NC(=O)c1ccc(=O)n(CC(=O)CC[N-]C(=O)C(F)(F)F)n1	ZINC001363755017	918870508	/nfs/dbraw/zinc/87/05/08/918870508.db2.gz	AUXQQUBOHCBWNX-UHFFFAOYSA-N	-1	1	320.227	-1.020	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2)[n-]n1	ZINC001363759680	918874512	/nfs/dbraw/zinc/87/45/12/918874512.db2.gz	FPRRSONQCLWTMR-LURJTMIESA-N	-1	1	302.312	-1.295	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2)n[n-]1	ZINC001363759680	918874523	/nfs/dbraw/zinc/87/45/23/918874523.db2.gz	FPRRSONQCLWTMR-LURJTMIESA-N	-1	1	302.312	-1.295	20	0		DAADMM
CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1nc(=O)n(C)[n-]1	ZINC001363779978	918876203	/nfs/dbraw/zinc/87/62/03/918876203.db2.gz	JOKOOEOFXWYTBB-QMMMGPOBSA-N	-1	1	317.371	-2.157	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@H](CO)OC[C@H]2C)[n-]n1	ZINC001363819033	918886659	/nfs/dbraw/zinc/88/66/59/918886659.db2.gz	SRKWLFMTKIXSHU-HTQZYQBOSA-N	-1	1	319.339	-1.033	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@H](CO)OC[C@H]2C)n[n-]1	ZINC001363819033	918886677	/nfs/dbraw/zinc/88/66/77/918886677.db2.gz	SRKWLFMTKIXSHU-HTQZYQBOSA-N	-1	1	319.339	-1.033	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@@H](CO)OC[C@@H]2C)[n-]n1	ZINC001363819060	918887929	/nfs/dbraw/zinc/88/79/29/918887929.db2.gz	SRKWLFMTKIXSHU-YUMQZZPRSA-N	-1	1	319.339	-1.033	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@@H](CO)OC[C@@H]2C)n[n-]1	ZINC001363819060	918887941	/nfs/dbraw/zinc/88/79/41/918887941.db2.gz	SRKWLFMTKIXSHU-YUMQZZPRSA-N	-1	1	319.339	-1.033	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@H](CO)OC[C@@H]2C)[n-]n1	ZINC001363819039	918888790	/nfs/dbraw/zinc/88/87/90/918888790.db2.gz	SRKWLFMTKIXSHU-JGVFFNPUSA-N	-1	1	319.339	-1.033	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@H](CO)OC[C@@H]2C)n[n-]1	ZINC001363819039	918888802	/nfs/dbraw/zinc/88/88/02/918888802.db2.gz	SRKWLFMTKIXSHU-JGVFFNPUSA-N	-1	1	319.339	-1.033	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCNC2=O)[n-]n1	ZINC001363843205	918893680	/nfs/dbraw/zinc/89/36/80/918893680.db2.gz	UQRISTTZXHBIAK-ZETCQYMHSA-N	-1	1	302.312	-1.295	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCNC2=O)n[n-]1	ZINC001363843205	918893690	/nfs/dbraw/zinc/89/36/90/918893690.db2.gz	UQRISTTZXHBIAK-ZETCQYMHSA-N	-1	1	302.312	-1.295	20	0		DAADMM
C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1nnnn1C	ZINC001363851948	918896085	/nfs/dbraw/zinc/89/60/85/918896085.db2.gz	VKHKJTORGVIUJG-ZETCQYMHSA-N	-1	1	305.298	-1.082	20	0		DAADMM
CS(=O)(=O)NC[C@@H]1CCN(C(=O)CCCc2nn[n-]n2)C1	ZINC001363901137	918904496	/nfs/dbraw/zinc/90/44/96/918904496.db2.gz	ODHCBQRNYOHIDJ-VIFPVBQESA-N	-1	1	316.387	-1.080	20	0		DAADMM
COC(=O)[C@H]1C[C@@H](S(=O)(=O)[N-][C@@](C)(CO)C(=O)OC)C1	ZINC001363929912	918906634	/nfs/dbraw/zinc/90/66/34/918906634.db2.gz	DWKMVZNXNLQDPZ-RNSXUZJQSA-N	-1	1	309.340	-1.219	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@H](O)C2CCC2)c(=O)[nH]c1=O	ZINC001363946000	918909170	/nfs/dbraw/zinc/90/91/70/918909170.db2.gz	SVWBPARFBMNHHV-MRVPVSSYSA-N	-1	1	303.340	-1.075	20	0		DAADMM
CN1C[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)CC1=O	ZINC001363959571	918912379	/nfs/dbraw/zinc/91/23/79/918912379.db2.gz	BIXSHGYNSFJFHH-LURJTMIESA-N	-1	1	302.312	-2.005	20	0		DAADMM
CSC[C@@](C)(O)C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001363952729	918912950	/nfs/dbraw/zinc/91/29/50/918912950.db2.gz	ZNTWHHPEHLMDBD-JTQLQIEISA-N	-1	1	323.396	-1.122	20	0		DAADMM
COCC[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)C(N)=O	ZINC001363962027	918913867	/nfs/dbraw/zinc/91/38/67/918913867.db2.gz	BRECKZDRZQFTLJ-MDTSDYNXSA-N	-1	1	316.405	-1.714	20	0		DAADMM
CN1C[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)CC1=O	ZINC001363959789	918913892	/nfs/dbraw/zinc/91/38/92/918913892.db2.gz	BIXSHGYNSFJFHH-ZCFIWIBFSA-N	-1	1	302.312	-2.005	20	0		DAADMM
CNC(=O)[C@@H](O)C[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C	ZINC001363977307	918918428	/nfs/dbraw/zinc/91/84/28/918918428.db2.gz	XRZSOEKJGHMRAG-HQRLLJBISA-N	-1	1	302.378	-2.498	20	0		DAADMM
CNC(=O)[C@H](O)C[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C	ZINC001363977305	918918492	/nfs/dbraw/zinc/91/84/92/918918492.db2.gz	XRZSOEKJGHMRAG-DDNLTXGXSA-N	-1	1	302.378	-2.498	20	0		DAADMM
CNC(=O)[C@H](O)C[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C	ZINC001363977445	918920239	/nfs/dbraw/zinc/92/02/39/918920239.db2.gz	XRZSOEKJGHMRAG-ZWBDZOEQSA-N	-1	1	302.378	-2.498	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC2(CCO)CC2)c(=O)[nH]c1=O	ZINC001363988243	918922659	/nfs/dbraw/zinc/92/26/59/918922659.db2.gz	LSGXGFJHZGXLFQ-UHFFFAOYSA-N	-1	1	303.340	-1.073	20	0		DAADMM
COC(=O)[C@](C)(CO)[N-]S(=O)(=O)CCCN1CCOCC1	ZINC001364001887	918926425	/nfs/dbraw/zinc/92/64/25/918926425.db2.gz	LRNWDSANMWUTNS-LBPRGKRZSA-N	-1	1	324.399	-1.448	20	0		DAADMM
CO[C@H](CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1O)C1CC1	ZINC001364020891	918931078	/nfs/dbraw/zinc/93/10/78/918931078.db2.gz	DDKQTLDJDSJUMJ-OPRDCNLKSA-N	-1	1	313.397	-1.511	20	0		DAADMM
COC[C@H](CC[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)OC	ZINC001364018376	918931685	/nfs/dbraw/zinc/93/16/85/918931685.db2.gz	CQLIMABYTNBGQD-QMMMGPOBSA-N	-1	1	321.355	-1.184	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@@H](O)C[C@]2(C)CO)[n-]n1	ZINC001364037737	918934429	/nfs/dbraw/zinc/93/44/29/918934429.db2.gz	JJWLUMWUEGHHIJ-WRWORJQWSA-N	-1	1	319.339	-1.297	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@@H](O)C[C@]2(C)CO)n[n-]1	ZINC001364037737	918934441	/nfs/dbraw/zinc/93/44/41/918934441.db2.gz	JJWLUMWUEGHHIJ-WRWORJQWSA-N	-1	1	319.339	-1.297	20	0		DAADMM
CCS(=O)(=O)NCC(=O)N1CCC[C@H](Cc2nn[n-]n2)C1	ZINC001364039174	918934578	/nfs/dbraw/zinc/93/45/78/918934578.db2.gz	XVIDYCUVYKXKSD-SECBINFHSA-N	-1	1	316.387	-1.080	20	0		DAADMM
C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)c1ncn(C)n1	ZINC001364048828	918936756	/nfs/dbraw/zinc/93/67/56/918936756.db2.gz	IKIQDJYTQREWQI-LURJTMIESA-N	-1	1	314.327	-1.346	20	0		DAADMM
Cc1ncoc1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC001364061442	918942868	/nfs/dbraw/zinc/94/28/68/918942868.db2.gz	AHRAAQJQZWNANQ-UHFFFAOYSA-N	-1	1	314.323	-1.141	20	0		DAADMM
C[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)c1nnnn1C	ZINC001364154432	918955507	/nfs/dbraw/zinc/95/55/07/918955507.db2.gz	OBUCXBZDELHQDM-FWCARGHBSA-N	-1	1	311.393	-1.320	20	0		DAADMM
COC(=O)C[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001364157621	918957011	/nfs/dbraw/zinc/95/70/11/918957011.db2.gz	BWWAUYOJMCKETH-LURJTMIESA-N	-1	1	305.312	-1.284	20	0		DAADMM
COC(=O)C1([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)CC(CO)C1	ZINC001364184253	918959627	/nfs/dbraw/zinc/95/96/27/918959627.db2.gz	CACFCCDPJNTKSX-YDNLMGDJSA-N	-1	1	322.383	-1.303	20	0		DAADMM
COC(=O)C1(NCc2nc(=O)n(C)[n-]2)CCS(=O)(=O)CC1	ZINC001364400755	919004383	/nfs/dbraw/zinc/00/43/83/919004383.db2.gz	SNDXCEXNWMRERE-UHFFFAOYSA-N	-1	1	318.355	-1.682	20	0		DAADMM
Cn1cc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001364384335	919006611	/nfs/dbraw/zinc/00/66/11/919006611.db2.gz	TUJXOQUDTJLXAC-SSDOTTSWSA-N	-1	1	307.270	-1.787	20	0		DAADMM
CCC[C@H](C(=O)OCC)S(=O)(=O)[N-][C@@H](CO)C(=O)NC	ZINC001364812315	919072109	/nfs/dbraw/zinc/07/21/09/919072109.db2.gz	DBBOYNKGXZDGIZ-DTWKUNHWSA-N	-1	1	310.372	-1.256	20	0		DAADMM
COc1nscc1S(=O)(=O)[N-]CCN1CCNC(=O)C1	ZINC001364818148	919074147	/nfs/dbraw/zinc/07/41/47/919074147.db2.gz	JWMXEKOGBFWNAR-UHFFFAOYSA-N	-1	1	320.396	-1.138	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C(=O)NCCF)[n-]n1	ZINC001364827134	919078274	/nfs/dbraw/zinc/07/82/74/919078274.db2.gz	MGQDZEQCNXLXQJ-LURJTMIESA-N	-1	1	322.318	-1.051	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C(=O)NCCF)n[n-]1	ZINC001364827134	919078290	/nfs/dbraw/zinc/07/82/90/919078290.db2.gz	MGQDZEQCNXLXQJ-LURJTMIESA-N	-1	1	322.318	-1.051	20	0		DAADMM
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H](CO)[C@H]1CCOC1	ZINC001364843190	919079970	/nfs/dbraw/zinc/07/99/70/919079970.db2.gz	QCUOVQCVEXLZRK-VXAXSWHGSA-N	-1	1	315.417	-1.207	20	0		DAADMM
Cn1nccc1CC[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001364837727	919080836	/nfs/dbraw/zinc/08/08/36/919080836.db2.gz	PZHJXXGUQHGJOA-UHFFFAOYSA-N	-1	1	313.339	-1.260	20	0		DAADMM
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H](CO)[C@@H]1CCOC1	ZINC001364843186	919081210	/nfs/dbraw/zinc/08/12/10/919081210.db2.gz	QCUOVQCVEXLZRK-SNFQMMDSSA-N	-1	1	315.417	-1.207	20	0		DAADMM
CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC001364857981	919082220	/nfs/dbraw/zinc/08/22/20/919082220.db2.gz	KQVLUVKRHLVGIU-JGVFFNPUSA-N	-1	1	319.339	-2.224	20	0		DAADMM
C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)c1ncnn1C	ZINC001364856652	919083422	/nfs/dbraw/zinc/08/34/22/919083422.db2.gz	XTKNXKLXUYLVJQ-LURJTMIESA-N	-1	1	314.327	-1.346	20	0		DAADMM
CC1=NO[C@@H](C[N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)C1	ZINC001364866796	919086069	/nfs/dbraw/zinc/08/60/69/919086069.db2.gz	UTZPWCSJQCBMSH-SSDOTTSWSA-N	-1	1	302.312	-1.071	20	0		DAADMM
CC(C)(C)n1nnc(C[N-]S(=O)(=O)[C@@H]2COC[C@H]2O)n1	ZINC001364868175	919086215	/nfs/dbraw/zinc/08/62/15/919086215.db2.gz	KWPSDORHEXLXAB-HTQZYQBOSA-N	-1	1	305.360	-1.393	20	0		DAADMM
CC[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)OC)C(=O)NC	ZINC001364868454	919086676	/nfs/dbraw/zinc/08/66/76/919086676.db2.gz	WTUUYUAZPVXVGC-ZETCQYMHSA-N	-1	1	304.328	-1.001	20	0		DAADMM
COC(=O)C1(CS(=O)(=O)[N-][C@@]2(C(N)=O)CCOC2)CC1	ZINC001364893997	919091398	/nfs/dbraw/zinc/09/13/98/919091398.db2.gz	STQGAVJYFQGQNL-NSHDSACASA-N	-1	1	306.340	-1.497	20	0		DAADMM
CC[C@H](CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1O)OC	ZINC001364902061	919095344	/nfs/dbraw/zinc/09/53/44/919095344.db2.gz	WYCOZAWEHFZPOY-IWSPIJDZSA-N	-1	1	301.386	-1.511	20	0		DAADMM
Cc1nnc(CC(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)[nH]1	ZINC001364942465	919102911	/nfs/dbraw/zinc/10/29/11/919102911.db2.gz	KPZFRPZEVRPBQE-UHFFFAOYSA-N	-1	1	320.357	-1.578	20	0		DAADMM
CCn1ncc(C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)n1	ZINC001364944142	919104040	/nfs/dbraw/zinc/10/40/40/919104040.db2.gz	RSEWHQHZXJBZBO-UHFFFAOYSA-N	-1	1	320.357	-1.322	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@]2(C)CCNC2=O)c(=O)n(C)c1=O	ZINC001364942746	919104212	/nfs/dbraw/zinc/10/42/12/919104212.db2.gz	LFTLWTWRPSJMOX-NSHDSACASA-N	-1	1	316.339	-2.359	20	0		DAADMM
CC[C@H]([N-]S(=O)(=O)CCS(=O)(=O)N(C)C)C(=O)OC	ZINC001365132284	919127649	/nfs/dbraw/zinc/12/76/49/919127649.db2.gz	STLPUUQFCNYAJL-QMMMGPOBSA-N	-1	1	316.401	-1.251	20	0		DAADMM
O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1C[C@@H](O)C[C@H]1CO	ZINC001365238105	919147782	/nfs/dbraw/zinc/14/77/82/919147782.db2.gz	FNNRFBCDAMIMFZ-IUCAKERBSA-N	-1	1	324.337	-1.108	20	0		DAADMM
O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1C[C@@H](O)[C@H](CO)C1	ZINC001365243477	919147812	/nfs/dbraw/zinc/14/78/12/919147812.db2.gz	RPJBQZQYLLDBMB-GZMMTYOYSA-N	-1	1	324.337	-1.251	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCC2(C)OCCO2)c(=O)[nH]c1=O	ZINC001365379840	919169504	/nfs/dbraw/zinc/16/95/04/919169504.db2.gz	NCOZWOPLQCKPNP-UHFFFAOYSA-N	-1	1	319.339	-1.083	20	0		DAADMM
CNC(=O)[C@@H](CO)NS(=O)(=O)c1cc(OC)ccc1[O-]	ZINC001365381191	919169711	/nfs/dbraw/zinc/16/97/11/919169711.db2.gz	RFHLBUKGPSKWLA-MRVPVSSYSA-N	-1	1	304.324	-1.214	20	0		DAADMM
COC[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)OC)C(=O)OC	ZINC001365383917	919172668	/nfs/dbraw/zinc/17/26/68/919172668.db2.gz	REBAHHAYZJFQPX-ZETCQYMHSA-N	-1	1	321.311	-1.337	20	0		DAADMM
CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)[C@@H]1COC[C@H]1O	ZINC001365437881	919184869	/nfs/dbraw/zinc/18/48/69/919184869.db2.gz	RAPXPYNKCVBQEG-JQCXWYLXSA-N	-1	1	315.369	-2.523	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2CCCCNC2=O)c(=O)[nH]c1=O	ZINC001365634609	919206683	/nfs/dbraw/zinc/20/66/83/919206683.db2.gz	MAYJKWVULGIHAK-ZETCQYMHSA-N	-1	1	316.339	-1.567	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2C)[n-]n1	ZINC001365645339	919207006	/nfs/dbraw/zinc/20/70/06/919207006.db2.gz	SVQKXFKSNCSQTR-LURJTMIESA-N	-1	1	302.312	-1.295	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2C)n[n-]1	ZINC001365645339	919207024	/nfs/dbraw/zinc/20/70/24/919207024.db2.gz	SVQKXFKSNCSQTR-LURJTMIESA-N	-1	1	302.312	-1.295	20	0		DAADMM
COC[C@@](C)(O)C[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C	ZINC001365661121	919211721	/nfs/dbraw/zinc/21/17/21/919211721.db2.gz	YQRFSZCUDLHNFB-QPFGOUBPSA-N	-1	1	303.406	-1.207	20	0		DAADMM
CN(C)c1noc(C[N-]S(=O)(=O)C[C@H]2CN(C)CCO2)n1	ZINC001365701031	919220455	/nfs/dbraw/zinc/22/04/55/919220455.db2.gz	CXCWQQZQFFDIGC-SECBINFHSA-N	-1	1	319.387	-1.114	20	0		DAADMM
CN(C)S(=O)(=O)CCS(=O)(=O)[N-][C@]1(C)CCOC1=O	ZINC001365711478	919224312	/nfs/dbraw/zinc/22/43/12/919224312.db2.gz	SIPAYWGEXTZBOV-SECBINFHSA-N	-1	1	314.385	-1.497	20	0		DAADMM
CS(=O)(=O)CC(=O)NCC1CC(NCc2n[nH]c(=O)[n-]2)C1	ZINC001365908712	919246534	/nfs/dbraw/zinc/24/65/34/919246534.db2.gz	FNQJMQNVBHLKJF-UHFFFAOYSA-N	-1	1	317.371	-1.461	20	0		DAADMM
O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@H]1CCCN(CCO)C1	ZINC001365932973	919248485	/nfs/dbraw/zinc/24/84/85/919248485.db2.gz	MJBMZWDDXOTPEK-VIFPVBQESA-N	-1	1	311.342	-1.212	20	0		DAADMM
CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001365997142	919264593	/nfs/dbraw/zinc/26/45/93/919264593.db2.gz	SESLWRPOWRBZTE-JTQLQIEISA-N	-1	1	324.385	-1.286	20	0		DAADMM
C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1ccn(C)n1	ZINC001366359459	919317534	/nfs/dbraw/zinc/31/75/34/919317534.db2.gz	KOWNTBXGXVTFHO-QMMMGPOBSA-N	-1	1	309.330	-1.283	20	0		DAADMM
O=C(Cc1nnc[nH]1)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001366669178	919364757	/nfs/dbraw/zinc/36/47/57/919364757.db2.gz	JWZHGJBTVKFQKM-MRVPVSSYSA-N	-1	1	306.330	-1.048	20	0		DAADMM
O=C(NCC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CNC(=O)N1	ZINC001366835457	919386826	/nfs/dbraw/zinc/38/68/26/919386826.db2.gz	NYSRYJAJDNCHEY-RKDXNWHRSA-N	-1	1	323.357	-1.480	20	0		DAADMM
Cn1[nH]c(CN2CC(NC(=O)CCc3cnc[nH]3)C2)nc1=O	ZINC001366923351	919396844	/nfs/dbraw/zinc/39/68/44/919396844.db2.gz	WNVSYYVOEZMINS-UHFFFAOYSA-N	-1	1	305.342	-1.235	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N(C)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001367048581	919429308	/nfs/dbraw/zinc/42/93/08/919429308.db2.gz	HENTYZFGGICJMN-ZJUUUORDSA-N	-1	1	324.385	-1.347	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001367037065	919430973	/nfs/dbraw/zinc/43/09/73/919430973.db2.gz	VXIAAALRGDJNSO-DTWKUNHWSA-N	-1	1	310.358	-1.690	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)N(C)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001367048580	919430986	/nfs/dbraw/zinc/43/09/86/919430986.db2.gz	HENTYZFGGICJMN-VHSXEESVSA-N	-1	1	324.385	-1.347	20	0		DAADMM
CC[C@@H](CNC(=O)CN1CCOCC1)NCc1n[nH]c(=O)[n-]1	ZINC001367106584	919436693	/nfs/dbraw/zinc/43/66/93/919436693.db2.gz	XCTASCNIBFYIIX-JTQLQIEISA-N	-1	1	312.374	-1.173	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)c1ccc(=O)n(C)n1	ZINC001367399012	919464639	/nfs/dbraw/zinc/46/46/39/919464639.db2.gz	VRSZQTUGLUDXEO-MRVPVSSYSA-N	-1	1	321.341	-1.146	20	0		DAADMM
CN(CCN(C)C(=O)CCNC(N)=O)Cc1nc(=O)n(C)[n-]1	ZINC001367549429	919476159	/nfs/dbraw/zinc/47/61/59/919476159.db2.gz	KQOODHORULZWDC-UHFFFAOYSA-N	-1	1	313.362	-1.943	20	0		DAADMM
C[C@@H](NC[C@H](O)CNC(=O)c1ncccc1[O-])c1nnnn1C	ZINC001367575017	919482957	/nfs/dbraw/zinc/48/29/57/919482957.db2.gz	NLHIEGYVWOHDRE-BDAKNGLRSA-N	-1	1	321.341	-1.248	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)CCn1cnccc1=O	ZINC001367708108	919559809	/nfs/dbraw/zinc/55/98/09/919559809.db2.gz	QAIIOUFAEUAOAY-SECBINFHSA-N	-1	1	321.341	-1.248	20	0		DAADMM
C[C@@H](NC1(CNC(=O)c2c[n-]n3c2nccc3=O)CC1)C(N)=O	ZINC001368024683	919603337	/nfs/dbraw/zinc/60/33/37/919603337.db2.gz	CATLYFDJLSUNSR-MRVPVSSYSA-N	-1	1	318.337	-1.252	20	0		DAADMM
C[C@H](NC1(CNC(=O)c2c[n-]n3c2nccc3=O)CC1)C(N)=O	ZINC001368024686	919604062	/nfs/dbraw/zinc/60/40/62/919604062.db2.gz	CATLYFDJLSUNSR-QMMMGPOBSA-N	-1	1	318.337	-1.252	20	0		DAADMM
CN(C(=O)CS(C)(=O)=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001368068248	919612370	/nfs/dbraw/zinc/61/23/70/919612370.db2.gz	UGQYKRGBCRFPGG-UHFFFAOYSA-N	-1	1	317.371	-2.204	20	0		DAADMM
COC[C@H](OC)C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001368081915	919615801	/nfs/dbraw/zinc/61/58/01/919615801.db2.gz	HBTAIGFMZLCKAI-JTQLQIEISA-N	-1	1	313.358	-1.588	20	0		DAADMM
COC[C@@H](O)CN1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001368286614	919667183	/nfs/dbraw/zinc/66/71/83/919667183.db2.gz	HAKVGINKQMRACQ-JTQLQIEISA-N	-1	1	311.338	-1.429	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)c3cncs3)C2)nc1=O	ZINC001368289729	919669178	/nfs/dbraw/zinc/66/91/78/919669178.db2.gz	HNVCYHTXEYFMOQ-UHFFFAOYSA-N	-1	1	324.366	-1.458	20	0		DAADMM
C[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001368839996	919779052	/nfs/dbraw/zinc/77/90/52/919779052.db2.gz	FNWVNPRUXKRIDC-JGVFFNPUSA-N	-1	1	319.387	-1.072	20	0		DAADMM
C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)CCS(C)(=O)=O	ZINC001368840009	919783602	/nfs/dbraw/zinc/78/36/02/919783602.db2.gz	FNWVNPRUXKRIDC-YUMQZZPRSA-N	-1	1	319.387	-1.072	20	0		DAADMM
CN(C(=O)Cn1cnnn1)[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001369209285	919832120	/nfs/dbraw/zinc/83/21/20/919832120.db2.gz	XIURZMXIRZNKCN-VIFPVBQESA-N	-1	1	321.345	-1.476	20	0		DAADMM
C[C@@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)NCc1n[nH]c(=O)[n-]1	ZINC001369228331	919832682	/nfs/dbraw/zinc/83/26/82/919832682.db2.gz	GGNQCTOAWBEZTM-UWVGGRQHSA-N	-1	1	312.374	-1.223	20	0		DAADMM
CO[C@H](C)C(=O)NC[C@H](CO)NCc1cc(=O)n2[n-]ccc2n1	ZINC001369310132	919846083	/nfs/dbraw/zinc/84/60/83/919846083.db2.gz	RBUYLHLAUSTYTJ-MWLCHTKSSA-N	-1	1	323.353	-1.376	20	0		DAADMM
CS[C@@H](C)CC(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001369325147	919856441	/nfs/dbraw/zinc/85/64/41/919856441.db2.gz	TYOBDSJLLSOXQE-IUCAKERBSA-N	-1	1	317.415	-1.183	20	0		DAADMM
Cn1cncc1C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001369346300	919883019	/nfs/dbraw/zinc/88/30/19/919883019.db2.gz	UGNXMSQDGHJALL-QMMMGPOBSA-N	-1	1	309.330	-2.278	20	0		DAADMM
Cc1c(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)ccn1C	ZINC001369348883	919887616	/nfs/dbraw/zinc/88/76/16/919887616.db2.gz	JYNXCCBQFMTUPF-JTQLQIEISA-N	-1	1	322.369	-1.364	20	0		DAADMM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@H](CO)NCCF	ZINC001369365855	919902325	/nfs/dbraw/zinc/90/23/25/919902325.db2.gz	SDNCDSAABPMQRA-MRVPVSSYSA-N	-1	1	312.305	-1.893	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)[C@H]1COCCO1	ZINC001369455058	919933447	/nfs/dbraw/zinc/93/34/47/919933447.db2.gz	ZIXMHZJHYJVHEB-RKDXNWHRSA-N	-1	1	315.330	-2.165	20	0		DAADMM
CCN1C[C@H](C(=O)NC[C@@H](C)NCc2n[nH]c(=O)[n-]2)CC1=O	ZINC001371188778	920235983	/nfs/dbraw/zinc/23/59/83/920235983.db2.gz	AYDBUWBXYKUJEE-RKDXNWHRSA-N	-1	1	310.358	-1.027	20	0		DAADMM
C[C@@H](CNC(=O)Cn1ccccc1=O)NCc1n[nH]c(=O)[n-]1	ZINC001371456649	920260349	/nfs/dbraw/zinc/26/03/49/920260349.db2.gz	MBVSAWYLTMJVLV-VIFPVBQESA-N	-1	1	306.326	-1.034	20	0		DAADMM
Cc1c(CC(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)cnn1C	ZINC001371997299	920319969	/nfs/dbraw/zinc/31/99/69/920319969.db2.gz	LCTIYYCTXMEGIM-UHFFFAOYSA-N	-1	1	321.385	-1.059	20	0		DAADMM
CC[C@H](NC(C)=O)C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001372123599	920339014	/nfs/dbraw/zinc/33/90/14/920339014.db2.gz	NBMILNSJOICOSK-JTQLQIEISA-N	-1	1	312.374	-1.429	20	0		DAADMM
CN(CCNC(=O)CCc1cn(C)nn1)Cc1nc(=O)n(C)[n-]1	ZINC001372259679	920355019	/nfs/dbraw/zinc/35/50/19/920355019.db2.gz	SGNQSJWLUBYHFZ-UHFFFAOYSA-N	-1	1	322.373	-1.582	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1	ZINC001372491314	920376565	/nfs/dbraw/zinc/37/65/65/920376565.db2.gz	LWIAEUKOWKQEIB-MWLCHTKSSA-N	-1	1	324.385	-1.286	20	0		DAADMM
COC[C@@H](OC)C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001373530466	920517272	/nfs/dbraw/zinc/51/72/72/920517272.db2.gz	FLZJFZQUXULPIK-SNVBAGLBSA-N	-1	1	313.358	-1.682	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)C[C@H]3COC(=O)C3)CC2)nc1=O	ZINC001374279398	920597752	/nfs/dbraw/zinc/59/77/52/920597752.db2.gz	HHGLGDRGACZHCP-SNVBAGLBSA-N	-1	1	323.353	-1.294	20	0		DAADMM
CCN1CCOC[C@H]1C(=O)N[C@H](C)CNCc1n[nH]c(=O)[n-]1	ZINC001374782246	920710032	/nfs/dbraw/zinc/71/00/32/920710032.db2.gz	VPRKUUXKEVMOEE-ZJUUUORDSA-N	-1	1	312.374	-1.175	20	0		DAADMM
O=C(N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1)[C@@H]1COCCO1	ZINC001375208567	920754244	/nfs/dbraw/zinc/75/42/44/920754244.db2.gz	HTEPIDOFXXOHMV-ZJUUUORDSA-N	-1	1	311.342	-1.090	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)CN2CCCC2=O)nc1=O	ZINC001375298231	920762231	/nfs/dbraw/zinc/76/22/31/920762231.db2.gz	YSACFTCKKKKGDQ-SNVBAGLBSA-N	-1	1	322.369	-1.579	20	0		DAADMM
CC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001375345429	920769794	/nfs/dbraw/zinc/76/97/94/920769794.db2.gz	RGZKWKAGRIVZGS-QWRGUYRKSA-N	-1	1	324.385	-1.286	20	0		DAADMM
C[C@@]1(NC(=O)Cc2nnc[nH]2)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001375847115	920811920	/nfs/dbraw/zinc/81/19/20/920811920.db2.gz	JJBOXUGTPNNVLG-GFCCVEGCSA-N	-1	1	306.330	-1.048	20	0		DAADMM
CCC(=O)NCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001376110142	920860491	/nfs/dbraw/zinc/86/04/91/920860491.db2.gz	BGNNNZHHMZBJRG-SECBINFHSA-N	-1	1	310.358	-1.675	20	0		DAADMM
COC(=O)NCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001376124997	920864293	/nfs/dbraw/zinc/86/42/93/920864293.db2.gz	XQCAAHVJNHCEBB-QMMMGPOBSA-N	-1	1	312.330	-1.845	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)nc1=O	ZINC001376230784	920895483	/nfs/dbraw/zinc/89/54/83/920895483.db2.gz	PIOAYJKLBNKCQV-URLYPYJESA-N	-1	1	321.381	-1.183	20	0		DAADMM
Cn1ncc(C(=O)NC[C@@H](NCc2n[nH]c(=O)[n-]2)C2CC2)n1	ZINC001376259980	920903911	/nfs/dbraw/zinc/90/39/11/920903911.db2.gz	OVFMTUJMRRTEIH-MRVPVSSYSA-N	-1	1	306.330	-1.063	20	0		DAADMM
CCN(CCNC(=O)Cn1ccnc1)Cc1nc(=O)n(C)[n-]1	ZINC001377387799	921811943	/nfs/dbraw/zinc/81/19/43/921811943.db2.gz	YULAAWJDBMUAKF-UHFFFAOYSA-N	-1	1	307.358	-1.057	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1	ZINC001377420361	921816210	/nfs/dbraw/zinc/81/62/10/921816210.db2.gz	GJCRTZVLVZXCPF-KOLCDFICSA-N	-1	1	324.385	-1.429	20	0		DAADMM
Cc1nn[nH]c1C(=O)NCCN(Cc1nc(=O)n(C)[n-]1)C1CC1	ZINC001377544991	921834262	/nfs/dbraw/zinc/83/42/62/921834262.db2.gz	LOBPIONYEQAEFP-UHFFFAOYSA-N	-1	1	320.357	-1.071	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)N[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001377843730	921867576	/nfs/dbraw/zinc/86/75/76/921867576.db2.gz	QUGGJOKDWSOPKS-UWVGGRQHSA-N	-1	1	324.385	-1.300	20	0		DAADMM
C[C@@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CN(CCO)C1	ZINC001378516873	921971397	/nfs/dbraw/zinc/97/13/97/921971397.db2.gz	FKRQBWDDDQIFCO-MRVPVSSYSA-N	-1	1	311.342	-1.356	20	0		DAADMM
C[C@H](NC(=O)Cc1nnc[nH]1)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001378576569	921977203	/nfs/dbraw/zinc/97/72/03/921977203.db2.gz	OLGDGTTXDGQRSK-ZETCQYMHSA-N	-1	1	306.330	-1.192	20	0		DAADMM
C[C@@H](NC(=O)Cn1ccnc1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001378593173	921981587	/nfs/dbraw/zinc/98/15/87/921981587.db2.gz	OECGWNLMKZTVFS-SNVBAGLBSA-N	-1	1	319.369	-1.058	20	0		DAADMM
C[C@H](NC(=O)Cn1ccnc1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001378593161	921982017	/nfs/dbraw/zinc/98/20/17/921982017.db2.gz	OECGWNLMKZTVFS-JTQLQIEISA-N	-1	1	319.369	-1.058	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1	ZINC001378771770	922007411	/nfs/dbraw/zinc/00/74/11/922007411.db2.gz	AAALBANKXXNBKR-RKDXNWHRSA-N	-1	1	310.358	-1.075	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1	ZINC001378801829	922009592	/nfs/dbraw/zinc/00/95/92/922009592.db2.gz	IKEWLDKAODIZRF-SFYZADRCSA-N	-1	1	311.346	-1.530	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1	ZINC001378801835	922010674	/nfs/dbraw/zinc/01/06/74/922010674.db2.gz	IKEWLDKAODIZRF-YUMQZZPRSA-N	-1	1	311.346	-1.530	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)c2ccccc2)nc1=O	ZINC001379352718	922129026	/nfs/dbraw/zinc/12/90/26/922129026.db2.gz	QUCOMNIDDZXDNN-NSHDSACASA-N	-1	1	305.338	-1.011	20	0		DAADMM
CS[C@@H](C)C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001379359667	922133238	/nfs/dbraw/zinc/13/32/38/922133238.db2.gz	ICKIPCXCTQEBHE-JGVFFNPUSA-N	-1	1	303.388	-1.573	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C(C)(C)S(C)(=O)=O	ZINC001379437016	922174924	/nfs/dbraw/zinc/17/49/24/922174924.db2.gz	SYHZZRJCJDWLCZ-SSDOTTSWSA-N	-1	1	319.387	-1.072	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)CN1CCCNC1=O	ZINC001379519421	922214179	/nfs/dbraw/zinc/21/41/79/922214179.db2.gz	GJBMBDMSJYMCHC-QMMMGPOBSA-N	-1	1	311.346	-1.480	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1CNC(=O)N1	ZINC001379721896	922243114	/nfs/dbraw/zinc/24/31/14/922243114.db2.gz	HBDNASHJKFCZEV-SFYZADRCSA-N	-1	1	311.346	-2.274	20	0		DAADMM
Cc1nc(CC(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)n[nH]1	ZINC001379983129	922316450	/nfs/dbraw/zinc/31/64/50/922316450.db2.gz	YZQSQQXYAUFOBA-QMMMGPOBSA-N	-1	1	306.330	-1.130	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)CCNC(N)=O)nc1=O	ZINC001380042505	922321427	/nfs/dbraw/zinc/32/14/27/922321427.db2.gz	VGDDPSJVHWQPID-MRVPVSSYSA-N	-1	1	311.346	-2.143	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)CCNC(N)=O)nc1=O	ZINC001380042508	922324036	/nfs/dbraw/zinc/32/40/36/922324036.db2.gz	VGDDPSJVHWQPID-QMMMGPOBSA-N	-1	1	311.346	-2.143	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](O)(CNC(=O)c3ccc[nH]3)C2)nc1=O	ZINC001380519740	922370011	/nfs/dbraw/zinc/37/00/11/922370011.db2.gz	UIHIKTUZGGUDFI-AWEZNQCLSA-N	-1	1	320.353	-1.197	20	0		DAADMM
O=C(NCC1(O)CN(CCn2cncn2)C1)c1ncccc1[O-]	ZINC001380589201	922407024	/nfs/dbraw/zinc/40/70/24/922407024.db2.gz	NWTWEJFWJGMKAN-UHFFFAOYSA-N	-1	1	318.337	-1.145	20	0		DAADMM
O=C(CN1CCOCC1)NCC1(NCc2n[nH]c(=O)[n-]2)CCC1	ZINC001380854992	922463445	/nfs/dbraw/zinc/46/34/45/922463445.db2.gz	CJBQQULWEXHYEY-UHFFFAOYSA-N	-1	1	324.385	-1.029	20	0		DAADMM
CN(CCCN(C)[C@@H]1CCNC1=O)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001380963588	922483121	/nfs/dbraw/zinc/48/31/21/922483121.db2.gz	MINSMYSWZYTNQU-MRVPVSSYSA-N	-1	1	324.341	-1.435	20	0		DAADMM
C[C@H](CNC(=O)c1cnnn1C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001381511499	922531487	/nfs/dbraw/zinc/53/14/87/922531487.db2.gz	DONHQEGTYZPSKT-MRVPVSSYSA-N	-1	1	308.346	-1.513	20	0		DAADMM
C[C@H](CNC(=O)c1ccc(=O)[nH]n1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001381542469	922534515	/nfs/dbraw/zinc/53/45/15/922534515.db2.gz	HZXFPXKMXBRRKR-MRVPVSSYSA-N	-1	1	321.341	-1.146	20	0		DAADMM
C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001381565318	922534926	/nfs/dbraw/zinc/53/49/26/922534926.db2.gz	AXXDQGOSRUPOBC-JGVFFNPUSA-N	-1	1	311.346	-2.274	20	0		DAADMM
C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001381562361	922535982	/nfs/dbraw/zinc/53/59/82/922535982.db2.gz	FDLHFJKPGLQBPX-MRVPVSSYSA-N	-1	1	323.357	-1.202	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)c2cncc(F)c2)nc1=O	ZINC001382196680	922608881	/nfs/dbraw/zinc/60/88/81/922608881.db2.gz	GQVUIIIFJDUYHK-SNVBAGLBSA-N	-1	1	324.316	-1.477	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)Cc2ccoc2)nc1=O	ZINC001382199612	922610679	/nfs/dbraw/zinc/61/06/79/922610679.db2.gz	MOQFQHQADYALDT-SNVBAGLBSA-N	-1	1	309.326	-1.489	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)c2ccncn2)nc1=O	ZINC001382246531	922640665	/nfs/dbraw/zinc/64/06/65/922640665.db2.gz	ACIYBBCWRXWSKA-MRVPVSSYSA-N	-1	1	307.314	-2.221	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)CCn2cccc2)nc1=O	ZINC001382251247	922643394	/nfs/dbraw/zinc/64/33/94/922643394.db2.gz	HGUZAGQOBVTROI-LLVKDONJSA-N	-1	1	322.369	-1.433	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)[C@]2(C)CCOC2)nc1=O	ZINC001382258624	922646581	/nfs/dbraw/zinc/64/65/81/922646581.db2.gz	XUQKSTLZBAHCSE-TVQRCGJNSA-N	-1	1	313.358	-1.898	20	0		DAADMM
Cc1nnccc1C(=O)N(C)C[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001382401348	922722224	/nfs/dbraw/zinc/72/22/24/922722224.db2.gz	NTFGZRIDANBOFG-SECBINFHSA-N	-1	1	321.341	-1.169	20	0		DAADMM
O=C(Cn1ccnc1)N[C@@H](CO)CNC(=O)c1ncccc1[O-]	ZINC001382405762	922725853	/nfs/dbraw/zinc/72/58/53/922725853.db2.gz	SLDJNELXUJZSPF-SNVBAGLBSA-N	-1	1	319.321	-1.109	20	0		DAADMM
CC(=O)N(C)C[C@H](O)CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001384162263	923044203	/nfs/dbraw/zinc/04/42/03/923044203.db2.gz	NFDWMTQXQJJEJO-MRVPVSSYSA-N	-1	1	308.298	-2.013	20	0		DAADMM
C[C@H](CNC(=O)Cn1ncn(C)c1=O)NC(=O)c1cnn[nH]1	ZINC001386906999	923328167	/nfs/dbraw/zinc/32/81/67/923328167.db2.gz	OWFZDZADWZIIGD-SSDOTTSWSA-N	-1	1	308.302	-2.365	20	0		DAADMM
CN(CCNC(=O)Cn1cnnn1)C(=O)c1ncccc1[O-]	ZINC001387628960	923387156	/nfs/dbraw/zinc/38/71/56/923387156.db2.gz	YAZNKAWJJGIXGK-UHFFFAOYSA-N	-1	1	305.298	-1.338	20	0		DAADMM
NC(=O)NCCC(=O)NC1CN(C(=O)c2ncccc2[O-])C1	ZINC001387727027	923406999	/nfs/dbraw/zinc/40/69/99/923406999.db2.gz	UQCDETMWRVMUSY-UHFFFAOYSA-N	-1	1	307.310	-1.214	20	0		DAADMM
C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)Cn1ncnn1	ZINC001389188716	923580000	/nfs/dbraw/zinc/58/00/00/923580000.db2.gz	UBCJYAVWNBUSTC-MRVPVSSYSA-N	-1	1	305.298	-1.292	20	0		DAADMM
COCC(=O)NC[C@@H]1CCN1C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001389585273	923648793	/nfs/dbraw/zinc/64/87/93/923648793.db2.gz	ROLXFVIITGYFMR-QMMMGPOBSA-N	-1	1	320.309	-1.605	20	0		DAADMM
O=C(Cn1cnnn1)NC[C@H]1CCN1C(=O)c1ncccc1[O-]	ZINC001389606187	923654697	/nfs/dbraw/zinc/65/46/97/923654697.db2.gz	ZBQKKKADKQUZTR-SECBINFHSA-N	-1	1	317.309	-1.195	20	0		DAADMM
CC(=O)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[n-]2)C1	ZINC001389938828	923698297	/nfs/dbraw/zinc/69/82/97/923698297.db2.gz	YNUCOBMUFZEYDE-AOOOYVTPSA-N	-1	1	310.358	-1.677	20	0		DAADMM
CCN(CCNC(=O)[C@H]1CCC(=O)N1C)Cc1nc(=O)n(C)[n-]1	ZINC001390956663	923794431	/nfs/dbraw/zinc/79/44/31/923794431.db2.gz	LNPKSCAAKIWKQC-SNVBAGLBSA-N	-1	1	324.385	-1.333	20	0		DAADMM
CCN(CCNC(=O)CN(C)C(C)=O)Cc1nc(=O)n(C)[n-]1	ZINC001390881373	923794503	/nfs/dbraw/zinc/79/45/03/923794503.db2.gz	GFBAXGMQUZZBAL-UHFFFAOYSA-N	-1	1	312.374	-1.475	20	0		DAADMM
CCN(CCNC(=O)c1cnn(CC)n1)Cc1nc(=O)n(C)[n-]1	ZINC001390894721	923795308	/nfs/dbraw/zinc/79/53/08/923795308.db2.gz	HCJDUEDVLSHWSR-UHFFFAOYSA-N	-1	1	322.373	-1.028	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)COc3cccnc3)C2)nc1=O	ZINC001391455454	923841126	/nfs/dbraw/zinc/84/11/26/923841126.db2.gz	WFPJPCRSXRTLSW-UHFFFAOYSA-N	-1	1	318.337	-1.117	20	0		DAADMM
CN(CCN(C)C(=O)C[C@H]1CCNC1=O)Cc1nc(=O)n(C)[n-]1	ZINC001392280054	923955446	/nfs/dbraw/zinc/95/54/46/923955446.db2.gz	DOLISCIKCWDJQQ-SNVBAGLBSA-N	-1	1	324.385	-1.475	20	0		DAADMM
Cc1nnc(CC(=O)N(C)CCN(C)Cc2nc(=O)n(C)[n-]2)[nH]1	ZINC001392274456	923956115	/nfs/dbraw/zinc/95/61/15/923956115.db2.gz	KDVJLORNJCRNNZ-UHFFFAOYSA-N	-1	1	322.373	-1.332	20	0		DAADMM
CN(CCN(C)C(=O)CCn1ccnn1)Cc1nc(=O)n(C)[n-]1	ZINC001392270156	923957084	/nfs/dbraw/zinc/95/70/84/923957084.db2.gz	XEYGDJDJAIUADV-UHFFFAOYSA-N	-1	1	322.373	-1.320	20	0		DAADMM
CN(CCN(C)C(=O)c1nnn(C)n1)Cc1nc(=O)n(C)[n-]1	ZINC001392295137	923960683	/nfs/dbraw/zinc/96/06/83/923960683.db2.gz	ATUTUFLRFCWYQF-UHFFFAOYSA-N	-1	1	309.334	-2.164	20	0		DAADMM
O=C(NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001392403039	924011645	/nfs/dbraw/zinc/01/16/45/924011645.db2.gz	YIRCOKCSOFQKQP-FNBULKLFSA-N	-1	1	323.353	-1.500	20	0		DAADMM
C[C@]1(C(=O)NC[C@@H](O)CNCc2n[nH]c(=O)[n-]2)CCCOC1	ZINC001392412580	924020505	/nfs/dbraw/zinc/02/05/05/924020505.db2.gz	WFGCDYXLLJNQEJ-ZANVPECISA-N	-1	1	313.358	-1.106	20	0		DAADMM
C[C@]1(C(=O)NC[C@H](O)CNCc2n[nH]c(=O)[n-]2)CCCOC1	ZINC001392412575	924020889	/nfs/dbraw/zinc/02/08/89/924020889.db2.gz	WFGCDYXLLJNQEJ-RNCFNFMXSA-N	-1	1	313.358	-1.106	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cn(C)c(=O)n1C	ZINC001392620707	924057097	/nfs/dbraw/zinc/05/70/97/924057097.db2.gz	XBSYUGAONVVKEQ-ZETCQYMHSA-N	-1	1	309.330	-1.544	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@@H](C)CC(N)=O	ZINC001392680281	924065776	/nfs/dbraw/zinc/06/57/76/924065776.db2.gz	YQUSTSNZYAMLMS-DTWKUNHWSA-N	-1	1	312.374	-1.444	20	0		DAADMM
CN1C[C@@H](C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)CC1=O	ZINC001392762581	924074542	/nfs/dbraw/zinc/07/45/42/924074542.db2.gz	FGHPGNWFGQERSX-VHSXEESVSA-N	-1	1	322.369	-1.027	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)C[C@H]2CCC(=O)N2)nc1=O	ZINC001392869669	924090471	/nfs/dbraw/zinc/09/04/71/924090471.db2.gz	VAWYJEAFBSVTNZ-ZJUUUORDSA-N	-1	1	322.369	-1.532	20	0		DAADMM
CC(=O)NC(C)(C)C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001393015273	924108101	/nfs/dbraw/zinc/10/81/01/924108101.db2.gz	IXWHMXWDAZELQB-UHFFFAOYSA-N	-1	1	324.385	-1.334	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)[C@H]3CCCO3)C2)nc1=O	ZINC001393287909	924155794	/nfs/dbraw/zinc/15/57/94/924155794.db2.gz	FPPGXACDAHXNJC-SECBINFHSA-N	-1	1	311.342	-2.050	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)Cc3ccon3)C2)nc1=O	ZINC001393306399	924166143	/nfs/dbraw/zinc/16/61/43/924166143.db2.gz	SVCBYWRWEANHMV-UHFFFAOYSA-N	-1	1	322.325	-1.998	20	0		DAADMM
Cc1conc1C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001393347683	924186207	/nfs/dbraw/zinc/18/62/07/924186207.db2.gz	BKTODDMKSCFLIO-UHFFFAOYSA-N	-1	1	322.325	-1.618	20	0		DAADMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H](C)NC(=O)CN1CCOCC1	ZINC001393922846	924268618	/nfs/dbraw/zinc/26/86/18/924268618.db2.gz	DCZDGGAIOXXKBP-NXEZZACHSA-N	-1	1	312.374	-1.175	20	0		DAADMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)CN1CCOCC1	ZINC001393922857	924268784	/nfs/dbraw/zinc/26/87/84/924268784.db2.gz	DCZDGGAIOXXKBP-ZJUUUORDSA-N	-1	1	312.374	-1.175	20	0		DAADMM
C[C@H](CNC(=O)[C@@H]1COCCO1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001394039093	924275240	/nfs/dbraw/zinc/27/52/40/924275240.db2.gz	AWBPQFIQLXMEJJ-ZJUUUORDSA-N	-1	1	313.358	-1.540	20	0		DAADMM
C[C@H](CNC(=O)[C@H](C)NC(N)=O)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001394063799	924275382	/nfs/dbraw/zinc/27/53/82/924275382.db2.gz	KVPSXEHPHDJRJI-SFYZADRCSA-N	-1	1	313.362	-1.898	20	0		DAADMM
C[C@H](CNC(=O)c1cn[nH]c(=O)c1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001394078915	924278538	/nfs/dbraw/zinc/27/85/38/924278538.db2.gz	LJASIBWUPCSZSI-MRVPVSSYSA-N	-1	1	321.341	-1.146	20	0		DAADMM
C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N(C)[C@H]1CCNC1=O	ZINC001394128218	924283690	/nfs/dbraw/zinc/28/36/90/924283690.db2.gz	CKHSCHNATYAAHP-SFYZADRCSA-N	-1	1	312.330	-1.986	20	0		DAADMM
Cn1[n-]c(CN2CC(CCO)(NC(=O)C3(C)CC3)C2)nc1=O	ZINC001394154595	924286550	/nfs/dbraw/zinc/28/65/50/924286550.db2.gz	VGHBTCXQDLCAND-UHFFFAOYSA-N	-1	1	309.370	-1.039	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)c2cnccn2)nc1=O	ZINC001394568477	924308862	/nfs/dbraw/zinc/30/88/62/924308862.db2.gz	HTOJWYZPTWASMQ-QMMMGPOBSA-N	-1	1	307.314	-2.221	20	0		DAADMM
Cc1cnn(CC(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)c1	ZINC001394579293	924318368	/nfs/dbraw/zinc/31/83/68/924318368.db2.gz	VIUFUSSYLGBSKU-SNVBAGLBSA-N	-1	1	323.357	-2.120	20	0		DAADMM
Cn1ccc(CC(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)n1	ZINC001394590321	924325400	/nfs/dbraw/zinc/32/54/00/924325400.db2.gz	XBZJQJCBUAAGRL-SNVBAGLBSA-N	-1	1	323.357	-2.349	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)c2ncccc2F)nc1=O	ZINC001394642298	924351084	/nfs/dbraw/zinc/35/10/84/924351084.db2.gz	HMVGCVSJLHVYHY-QMMMGPOBSA-N	-1	1	324.316	-1.477	20	0		DAADMM
Cc1cc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)ccn1	ZINC001394653714	924356947	/nfs/dbraw/zinc/35/69/47/924356947.db2.gz	UTWFJWPTZDIBIA-NSHDSACASA-N	-1	1	320.353	-1.308	20	0		DAADMM
CC(=O)N(C)CC(=O)N[C@@H](CO)CNC(=O)c1ncccc1[O-]	ZINC001395722464	924449944	/nfs/dbraw/zinc/44/99/44/924449944.db2.gz	YSOFLIWSYKMZAI-SNVBAGLBSA-N	-1	1	324.337	-1.528	20	0		DAADMM
CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001396063817	924508042	/nfs/dbraw/zinc/50/80/42/924508042.db2.gz	MAWRVXDQIQSAAC-VIFPVBQESA-N	-1	1	322.325	-1.671	20	0		DAADMM
NC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1	ZINC001396745313	924540377	/nfs/dbraw/zinc/54/03/77/924540377.db2.gz	YDDAWQXNACJCQA-MRVPVSSYSA-N	-1	1	307.310	-1.214	20	0		DAADMM
CN(CCNC(=O)c1ncccc1[O-])C(=O)c1nnn(C)n1	ZINC001397900044	924610134	/nfs/dbraw/zinc/61/01/34/924610134.db2.gz	XXJYJBHNZRLCOJ-UHFFFAOYSA-N	-1	1	305.298	-1.187	20	0		DAADMM
C[C@@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)NCc1n[nH]c(=O)[n-]1	ZINC001398962788	924682846	/nfs/dbraw/zinc/68/28/46/924682846.db2.gz	RGILOTXMAJNDFM-DTWKUNHWSA-N	-1	1	310.358	-1.027	20	0		DAADMM
Cc1c(C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)nnn1C	ZINC001399434058	924703386	/nfs/dbraw/zinc/70/33/86/924703386.db2.gz	HJTVNEDUYPKLHP-UHFFFAOYSA-N	-1	1	308.346	-1.593	20	0		DAADMM
CCN(CCNC(=O)[C@H](C)NC(N)=O)Cc1nc(=O)n(C)[n-]1	ZINC001399702455	924717962	/nfs/dbraw/zinc/71/79/62/924717962.db2.gz	XWGOHQMOXFJGLD-QMMMGPOBSA-N	-1	1	313.362	-1.897	20	0		DAADMM
CCN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)Cc1nc(=O)n(C)[n-]1	ZINC001399758804	924722562	/nfs/dbraw/zinc/72/25/62/924722562.db2.gz	GIMDEPJONAZCOT-BDAKNGLRSA-N	-1	1	310.358	-1.832	20	0		DAADMM
CCN(CCNC(=O)Cn1cncn1)Cc1nc(=O)n(C)[n-]1	ZINC001399801366	924733346	/nfs/dbraw/zinc/73/33/46/924733346.db2.gz	ADMFSILKCGMYJI-UHFFFAOYSA-N	-1	1	308.346	-1.662	20	0		DAADMM
CCOCC(=O)N[C@@H](C)CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001400116240	924772349	/nfs/dbraw/zinc/77/23/49/924772349.db2.gz	AASDASYGSSRKSH-QMMMGPOBSA-N	-1	1	322.325	-1.311	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CN(CCn2cncn2)C1	ZINC001400550334	924810307	/nfs/dbraw/zinc/81/03/07/924810307.db2.gz	XIQPAWFEBXLUNW-UHFFFAOYSA-N	-1	1	322.329	-1.971	20	0		DAADMM
CC[C@@H](CNC(=O)[C@H]1CN(C)CCO1)NCc1n[nH]c(=O)[n-]1	ZINC001400794100	924832444	/nfs/dbraw/zinc/83/24/44/924832444.db2.gz	LALBKLLMOCTZHD-VHSXEESVSA-N	-1	1	312.374	-1.175	20	0		DAADMM
O=C(CC[C@@H]1CCOC1)NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001401513030	924872966	/nfs/dbraw/zinc/87/29/66/924872966.db2.gz	VWCRPKCDRULULF-ZJUUUORDSA-N	-1	1	313.358	-1.106	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)CCNC(N)=O	ZINC001401806968	924923749	/nfs/dbraw/zinc/92/37/49/924923749.db2.gz	QAYHVMJWCHEDOC-MRVPVSSYSA-N	-1	1	313.362	-1.897	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)Cn2cccn2)nc1=O	ZINC001401875394	924926857	/nfs/dbraw/zinc/92/68/57/924926857.db2.gz	QGQDKYVHZUEQGV-JTQLQIEISA-N	-1	1	305.342	-1.304	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001402074936	924943803	/nfs/dbraw/zinc/94/38/03/924943803.db2.gz	QUGGJOKDWSOPKS-VHSXEESVSA-N	-1	1	324.385	-1.300	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](O)(CNC(=O)c3ncc[nH]3)C2)nc1=O	ZINC001402271800	924957782	/nfs/dbraw/zinc/95/77/82/924957782.db2.gz	FFVPDILJSUWKDU-CYBMUJFWSA-N	-1	1	321.341	-1.802	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](O)(CNC(=O)c3ncc[nH]3)C2)nc1=O	ZINC001402271802	924959603	/nfs/dbraw/zinc/95/96/03/924959603.db2.gz	FFVPDILJSUWKDU-ZDUSSCGKSA-N	-1	1	321.341	-1.802	20	0		DAADMM
Cn1cnc(C(=O)NCC2(O)CN(Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC001402324481	924974893	/nfs/dbraw/zinc/97/48/93/924974893.db2.gz	UJSUVRVQESSBNE-UHFFFAOYSA-N	-1	1	321.341	-2.181	20	0		DAADMM
CC[C@H](C(N)=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001402329619	924976739	/nfs/dbraw/zinc/97/67/39/924976739.db2.gz	CFBAFZKWSUIOLJ-SECBINFHSA-N	-1	1	308.338	-1.172	20	0		DAADMM
COCCC(=O)NC[C@H]1COCCN1Cc1nc(=O)n(C)[n-]1	ZINC001402490259	925003974	/nfs/dbraw/zinc/00/39/74/925003974.db2.gz	DRSVIBZZUSQHND-JTQLQIEISA-N	-1	1	313.358	-1.538	20	0		DAADMM
COCCC(=O)NC[C@@H]1COCCN1Cc1nc(=O)n(C)[n-]1	ZINC001402490264	925004287	/nfs/dbraw/zinc/00/42/87/925004287.db2.gz	DRSVIBZZUSQHND-SNVBAGLBSA-N	-1	1	313.358	-1.538	20	0		DAADMM
CN1CCO[C@H](C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CCC2)C1	ZINC001402545626	925012005	/nfs/dbraw/zinc/01/20/05/925012005.db2.gz	MOEBJYDWJFOODW-JTQLQIEISA-N	-1	1	324.385	-1.031	20	0		DAADMM
C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)NCc1n[nH]c(=O)[n-]1	ZINC001402922167	925040853	/nfs/dbraw/zinc/04/08/53/925040853.db2.gz	DTAAYDHCRGBFLP-JGVFFNPUSA-N	-1	1	317.371	-1.461	20	0		DAADMM
COC(=O)NCC(=O)NC[C@H](C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001403106771	925052639	/nfs/dbraw/zinc/05/26/39/925052639.db2.gz	PAOPDUGAUNQXLV-QMMMGPOBSA-N	-1	1	314.346	-1.599	20	0		DAADMM
COCCC(=O)NC1(CCO)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001403196800	925059674	/nfs/dbraw/zinc/05/96/74/925059674.db2.gz	RGUNOXVIKVEKDH-UHFFFAOYSA-N	-1	1	313.358	-1.802	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)c2ccc(F)cn2)nc1=O	ZINC001403657091	925100182	/nfs/dbraw/zinc/10/01/82/925100182.db2.gz	ZWOQCRHZVZPTPY-VIFPVBQESA-N	-1	1	324.316	-1.477	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)Cc2ccc[nH]2)nc1=O	ZINC001403730197	925133369	/nfs/dbraw/zinc/13/33/69/925133369.db2.gz	DJWUJVHBSFAPRP-JTQLQIEISA-N	-1	1	308.342	-1.754	20	0		DAADMM
COC(=O)NCC(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@H]1C	ZINC001403764204	925138172	/nfs/dbraw/zinc/13/81/72/925138172.db2.gz	XYCQROUPGYXFHW-SFYZADRCSA-N	-1	1	312.330	-1.055	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@@H](O)CN(C)C(=O)c1cn[nH]c1	ZINC001403895017	925167262	/nfs/dbraw/zinc/16/72/62/925167262.db2.gz	WJEICXWIZFURHA-SNVBAGLBSA-N	-1	1	323.357	-1.604	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CCn3ccnn3)C2)nc1=O	ZINC001404777390	925214115	/nfs/dbraw/zinc/21/41/15/925214115.db2.gz	YCHRKAZWRACHIA-UHFFFAOYSA-N	-1	1	306.330	-1.909	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001405022205	925232716	/nfs/dbraw/zinc/23/27/16/925232716.db2.gz	VXIAAALRGDJNSO-IUCAKERBSA-N	-1	1	310.358	-1.690	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001405049282	925234897	/nfs/dbraw/zinc/23/48/97/925234897.db2.gz	JFPLJQUCVWSZTI-PSASIEDQSA-N	-1	1	310.358	-1.677	20	0		DAADMM
CC(C)[C@@H](CNC(=O)CS(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001405997902	925341017	/nfs/dbraw/zinc/34/10/17/925341017.db2.gz	BIPXQEVAKGNZGO-MRVPVSSYSA-N	-1	1	319.387	-1.215	20	0		DAADMM
O=C(NC[C@H](O)CNCc1n[nH]c(=O)[n-]1)[C@@H]1CCCOCC1	ZINC001406216907	925360608	/nfs/dbraw/zinc/36/06/08/925360608.db2.gz	MXJYDEYYJBVRJP-NXEZZACHSA-N	-1	1	313.358	-1.106	20	0		DAADMM
O=C(NC[C@H](O)CNCc1n[nH]c(=O)[n-]1)[C@H]1CCCOCC1	ZINC001406216910	925360624	/nfs/dbraw/zinc/36/06/24/925360624.db2.gz	MXJYDEYYJBVRJP-VHSXEESVSA-N	-1	1	313.358	-1.106	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)CN(C)C(=O)C1CC1	ZINC001406358746	925405068	/nfs/dbraw/zinc/40/50/68/925405068.db2.gz	CYHGHHAIRVGGIE-MRVPVSSYSA-N	-1	1	310.358	-1.027	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)CCS(C)(=O)=O	ZINC001406481043	925418692	/nfs/dbraw/zinc/41/86/92/925418692.db2.gz	BRTGVBHOLCXMIL-ZETCQYMHSA-N	-1	1	305.360	-1.461	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC001406697095	925428587	/nfs/dbraw/zinc/42/85/87/925428587.db2.gz	QRGYWTNDUTYQDW-BDAKNGLRSA-N	-1	1	310.358	-1.677	20	0		DAADMM
CNC(=O)CCCC(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001406854044	925438430	/nfs/dbraw/zinc/43/84/30/925438430.db2.gz	NOXFFSOUAZUPGI-SNVBAGLBSA-N	-1	1	324.385	-1.285	20	0		DAADMM
C[C@H](C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)n1cncn1	ZINC001406854386	925438485	/nfs/dbraw/zinc/43/84/85/925438485.db2.gz	NWHOZWKRQWSIKH-ZJUUUORDSA-N	-1	1	320.357	-1.348	20	0		DAADMM
CNC(=O)CCCC(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001406854025	925438557	/nfs/dbraw/zinc/43/85/57/925438557.db2.gz	NOXFFSOUAZUPGI-JTQLQIEISA-N	-1	1	324.385	-1.285	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](O)(CNC(=O)c3cc[nH]c3)C2)nc1=O	ZINC001407349277	925467637	/nfs/dbraw/zinc/46/76/37/925467637.db2.gz	LKNWNFGRJPNYTL-CQSZACIVSA-N	-1	1	320.353	-1.197	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)c3ccoc3)C2)nc1=O	ZINC001407383869	925476474	/nfs/dbraw/zinc/47/64/74/925476474.db2.gz	NTPJJGLZRGKGQT-UHFFFAOYSA-N	-1	1	307.310	-1.322	20	0		DAADMM
Cn1cc(CN2CC(O)(CNC(=O)c3ncccc3[O-])C2)nn1	ZINC001407404332	925483850	/nfs/dbraw/zinc/48/38/50/925483850.db2.gz	HKLXOMPNJVGFIE-UHFFFAOYSA-N	-1	1	318.337	-1.108	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@](CO)(NC(=O)C3CC3)C2)nc1=O	ZINC001407584762	925508809	/nfs/dbraw/zinc/50/88/09/925508809.db2.gz	MAKKBUBYZVKWOT-AWEZNQCLSA-N	-1	1	309.370	-1.039	20	0		DAADMM
C[C@@H](CCNC(=O)[C@H](C)S(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001408204019	925556805	/nfs/dbraw/zinc/55/68/05/925556805.db2.gz	HLRCBEJZKLLPOE-YUMQZZPRSA-N	-1	1	319.387	-1.072	20	0		DAADMM
C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001409601640	925637343	/nfs/dbraw/zinc/63/73/43/925637343.db2.gz	JYPOOWTVKWPKFX-UWVGGRQHSA-N	-1	1	324.385	-1.334	20	0		DAADMM
CO[C@H](C)C(=O)NC1(CCO)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001409705445	925646248	/nfs/dbraw/zinc/64/62/48/925646248.db2.gz	MWPQQCOJEZMJQG-SECBINFHSA-N	-1	1	313.358	-1.804	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)N[C@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001409848140	925652851	/nfs/dbraw/zinc/65/28/51/925652851.db2.gz	IREVAPQRGDDAGE-RKDXNWHRSA-N	-1	1	324.385	-1.431	20	0		DAADMM
Cc1n[nH]c(C(=O)NC[C@@H](CO)NCC(=O)N2CCC2)c1[O-]	ZINC001410585284	925734780	/nfs/dbraw/zinc/73/47/80/925734780.db2.gz	FNPUPHBSDWGJDU-VIFPVBQESA-N	-1	1	311.342	-1.664	20	0		DAADMM
Cc1occc1C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001410585926	925735579	/nfs/dbraw/zinc/73/55/79/925735579.db2.gz	ZPORSJFCLIHEEN-SECBINFHSA-N	-1	1	309.326	-1.110	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)c2cc(F)c[nH]2)nc1=O	ZINC001410704741	925761075	/nfs/dbraw/zinc/76/10/75/925761075.db2.gz	QEXVLZCJFMWTJR-MRVPVSSYSA-N	-1	1	312.305	-1.544	20	0		DAADMM
CO[C@@H](C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1)C(C)C	ZINC001410726971	925766901	/nfs/dbraw/zinc/76/69/01/925766901.db2.gz	IXMNVFUNXXDVOI-GXSJLCMTSA-N	-1	1	315.374	-1.654	20	0		DAADMM
Cc1conc1C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001410770983	925775987	/nfs/dbraw/zinc/77/59/87/925775987.db2.gz	PTRDMQOJEDFDTO-MRVPVSSYSA-N	-1	1	310.314	-1.715	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)C[C@H]1CCCO1	ZINC001410999069	925800503	/nfs/dbraw/zinc/80/05/03/925800503.db2.gz	WJUDTFMOBAXIEN-VHSXEESVSA-N	-1	1	313.358	-1.012	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@@H](O)CN(C)C(=O)c1cocn1	ZINC001411158519	925822514	/nfs/dbraw/zinc/82/25/14/925822514.db2.gz	CYRWCGSDSLXBLL-SECBINFHSA-N	-1	1	324.341	-1.339	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)ccnc1-2	ZINC001411355880	925837656	/nfs/dbraw/zinc/83/76/56/925837656.db2.gz	SFKZYWRYCOTFLC-VIFPVBQESA-N	-1	1	323.334	-1.807	20	0		DAADMM
CN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1nn[n-]n1	ZINC001411483244	925842021	/nfs/dbraw/zinc/84/20/21/925842021.db2.gz	YLMXYTIJXJKHLW-UHFFFAOYSA-N	-1	1	309.311	-1.340	20	0		DAADMM
Cn1cc(N2C[C@H](C(=O)NCc3nn[n-]n3)CCC2=O)cn1	ZINC001411751111	925854191	/nfs/dbraw/zinc/85/41/91/925854191.db2.gz	CDQHKKBLDNHZHA-MRVPVSSYSA-N	-1	1	304.314	-1.007	20	0		DAADMM
O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@H](c2nn[n-]n2)C1	ZINC001411936535	925861998	/nfs/dbraw/zinc/86/19/98/925861998.db2.gz	IJQLYPXCWDUYLD-YUMQZZPRSA-N	-1	1	300.344	-1.403	20	0		DAADMM
C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC001412058121	925870447	/nfs/dbraw/zinc/87/04/47/925870447.db2.gz	MDQBVOTXSDKUKX-JGVFFNPUSA-N	-1	1	302.360	-1.157	20	0		DAADMM
O=C(CO)NCCC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1	ZINC001412396263	925891805	/nfs/dbraw/zinc/89/18/05/925891805.db2.gz	CGOUXXXATZOVLU-GFCCVEGCSA-N	-1	1	304.310	-1.096	20	0		DAADMM
CNS(=O)(=O)C[C@H]1CCCN(C(=O)CCc2nn[n-]n2)C1	ZINC001412414408	925894192	/nfs/dbraw/zinc/89/41/92/925894192.db2.gz	XXCFXOOOGBORCB-VIFPVBQESA-N	-1	1	316.387	-1.080	20	0		DAADMM
CNS(=O)(=O)C[C@@H]1CCCN(C(=O)CCc2nn[n-]n2)C1	ZINC001412414407	925894714	/nfs/dbraw/zinc/89/47/14/925894714.db2.gz	XXCFXOOOGBORCB-SECBINFHSA-N	-1	1	316.387	-1.080	20	0		DAADMM
O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCOC[C@H]1c1nn[n-]n1	ZINC001412429349	925897032	/nfs/dbraw/zinc/89/70/32/925897032.db2.gz	DGNPCGHUOJSWNG-IUCAKERBSA-N	-1	1	315.355	-1.076	20	0		DAADMM
CN(C)S(=O)(=O)NCC(=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001412431970	925897988	/nfs/dbraw/zinc/89/79/88/925897988.db2.gz	LSAPVLXIWLORJF-SSDOTTSWSA-N	-1	1	319.347	-2.504	20	0		DAADMM
O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN([C@H]2CCC[C@@H]2O)CC1	ZINC001412482603	925900821	/nfs/dbraw/zinc/90/08/21/925900821.db2.gz	LEHXNZGAFIFNOE-IUCAKERBSA-N	-1	1	309.326	-1.046	20	0		DAADMM
CCC[C@@H](C(=O)N1CC[C@@H](c2nn[n-]n2)C1)S(N)(=O)=O	ZINC001412493329	925903194	/nfs/dbraw/zinc/90/31/94/925903194.db2.gz	UYHFZJCFXKBMDV-SFYZADRCSA-N	-1	1	302.360	-1.027	20	0		DAADMM
O=C(CN1CCCS1(=O)=O)N1CC[C@H](c2nn[n-]n2)C1	ZINC001412493450	925903385	/nfs/dbraw/zinc/90/33/85/925903385.db2.gz	VFYCZKMZXWUKIX-QMMMGPOBSA-N	-1	1	300.344	-1.449	20	0		DAADMM
CN(C(=O)CCc1nn[n-]n1)[C@@H]1CCN(S(C)(=O)=O)C1	ZINC001412997605	926000872	/nfs/dbraw/zinc/00/08/72/926000872.db2.gz	ABSZVEXUBIMQGB-MRVPVSSYSA-N	-1	1	302.360	-1.375	20	0		DAADMM
CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001413276785	926026377	/nfs/dbraw/zinc/02/63/77/926026377.db2.gz	QBGIRCAZFIOLLO-LURJTMIESA-N	-1	1	304.328	-1.711	20	0		DAADMM
O=C(CN1CCNC(=O)C1)N[C@@H](c1nn[n-]n1)c1ccccc1	ZINC001413326964	926036811	/nfs/dbraw/zinc/03/68/11/926036811.db2.gz	CAACOKIBKIMHPQ-CYBMUJFWSA-N	-1	1	315.337	-1.163	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)[n-]n1	ZINC001413342903	926040412	/nfs/dbraw/zinc/04/04/12/926040412.db2.gz	WRJPBVPTNOLCFN-SSDOTTSWSA-N	-1	1	302.312	-1.165	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)n[n-]1	ZINC001413342903	926040421	/nfs/dbraw/zinc/04/04/21/926040421.db2.gz	WRJPBVPTNOLCFN-SSDOTTSWSA-N	-1	1	302.312	-1.165	20	0		DAADMM
O=S(=O)([N-]C[C@]1(O)CCS(=O)(=O)C1)c1ccns1	ZINC001413351781	926041320	/nfs/dbraw/zinc/04/13/20/926041320.db2.gz	CBXSYBJVKHUMTL-MRVPVSSYSA-N	-1	1	312.394	-1.029	20	0		DAADMM
COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001413359005	926044265	/nfs/dbraw/zinc/04/42/65/926044265.db2.gz	UPDIQOMFAPLRMC-RXMQYKEDSA-N	-1	1	309.275	-1.725	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)c(=O)[nH]c1=O	ZINC001413388458	926047810	/nfs/dbraw/zinc/04/78/10/926047810.db2.gz	IJBOLUVMBCSTAU-NSHDSACASA-N	-1	1	319.339	-1.694	20	0		DAADMM
COC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(C(=O)OC)n[n-]1	ZINC001413391322	926048313	/nfs/dbraw/zinc/04/83/13/926048313.db2.gz	QNEBERTWVKAJEU-JGVFFNPUSA-N	-1	1	319.339	-1.033	20	0		DAADMM
COC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(C(=O)OC)[n-]n1	ZINC001413391322	926048321	/nfs/dbraw/zinc/04/83/21/926048321.db2.gz	QNEBERTWVKAJEU-JGVFFNPUSA-N	-1	1	319.339	-1.033	20	0		DAADMM
CN1CCOC[C@H]1CNC(=O)CNC(=O)c1ncccc1[O-]	ZINC001413424663	926051541	/nfs/dbraw/zinc/05/15/41/926051541.db2.gz	VKXVXAJBVHWYBZ-SNVBAGLBSA-N	-1	1	308.338	-1.036	20	0		DAADMM
CC(=O)NCC(=O)NCC(=O)N(Cc1nn[n-]n1)CC(C)C	ZINC001413504954	926059670	/nfs/dbraw/zinc/05/96/70/926059670.db2.gz	PBNKYASZPOFDJY-UHFFFAOYSA-N	-1	1	311.346	-1.563	20	0		DAADMM
CN1CCn2c(CNC(=O)c3cnncc3[O-])nnc2C1=O	ZINC001413507120	926060330	/nfs/dbraw/zinc/06/03/30/926060330.db2.gz	DDLTWUMJDAFGLF-UHFFFAOYSA-N	-1	1	303.282	-1.211	20	0		DAADMM
CN(Cc1nnc2n1CCNC2=O)C(=O)CCc1nn[n-]n1	ZINC001413564083	926062806	/nfs/dbraw/zinc/06/28/06/926062806.db2.gz	ABZAQIWAEJTXNT-UHFFFAOYSA-N	-1	1	305.302	-1.874	20	0		DAADMM
CSC[C@H](CCO)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001414216091	926110811	/nfs/dbraw/zinc/11/08/11/926110811.db2.gz	RDCHWXAYHSWDDB-ZETCQYMHSA-N	-1	1	323.396	-1.122	20	0		DAADMM
CNC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc1cc(OC)ns1	ZINC001414240341	926112723	/nfs/dbraw/zinc/11/27/23/926112723.db2.gz	GPTXAGAWDRZTJZ-SSDOTTSWSA-N	-1	1	309.369	-1.322	20	0		DAADMM
NC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1COC[C@H]1O)c1ccccn1	ZINC001414273843	926114551	/nfs/dbraw/zinc/11/45/51/926114551.db2.gz	RMRBVJMGDWDCGI-OPRDCNLKSA-N	-1	1	301.324	-1.713	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@]2(C)CCC(=O)N2)c(=O)[nH]c1=O	ZINC001414282772	926115942	/nfs/dbraw/zinc/11/59/42/926115942.db2.gz	UOIQKTYXWZTBJL-NSHDSACASA-N	-1	1	316.339	-1.567	20	0		DAADMM
CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1C(=O)NCC1(C)C	ZINC001414309893	926118143	/nfs/dbraw/zinc/11/81/43/926118143.db2.gz	SLOOITICZIHUEC-VIIUKITBSA-N	-1	1	312.417	-1.080	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCC(O)(CO)CC2)[n-]n1	ZINC001414309689	926118253	/nfs/dbraw/zinc/11/82/53/926118253.db2.gz	PYSCKHCPHDUSQI-UHFFFAOYSA-N	-1	1	319.339	-1.296	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCC(O)(CO)CC2)n[n-]1	ZINC001414309689	926118259	/nfs/dbraw/zinc/11/82/59/926118259.db2.gz	PYSCKHCPHDUSQI-UHFFFAOYSA-N	-1	1	319.339	-1.296	20	0		DAADMM
CC[C@@H](C[C@@H](C)O)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC001414324598	926118265	/nfs/dbraw/zinc/11/82/65/926118265.db2.gz	JNSQNDGKRYXABG-BDAKNGLRSA-N	-1	1	319.383	-1.088	20	0		DAADMM
COCC(=O)N[C@H]1C[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001414943344	926153339	/nfs/dbraw/zinc/15/33/39/926153339.db2.gz	AAKWILUNRHDGBU-ZKCHVHJHSA-N	-1	1	320.309	-1.559	20	0		DAADMM
COCC(=O)NCCN(C)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001415435123	926180140	/nfs/dbraw/zinc/18/01/40/926180140.db2.gz	KRJYPQRSZFYNAS-UHFFFAOYSA-N	-1	1	308.298	-1.748	20	0		DAADMM
CN(CCN(C)C(=O)[C@@H]1CNC(=O)N1)C(=O)c1ncccc1[O-]	ZINC001416659534	926244198	/nfs/dbraw/zinc/24/41/98/926244198.db2.gz	YOXKXNNRLIJCDJ-VIFPVBQESA-N	-1	1	321.337	-1.001	20	0		DAADMM
O=C(CC1CS(=O)(=O)C1)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001417636360	926322568	/nfs/dbraw/zinc/32/25/68/926322568.db2.gz	XQSHBZJXNKPVPO-MRVPVSSYSA-N	-1	1	301.328	-1.466	20	0		DAADMM
O=C(C[C@@H]1CCC(=O)NC1)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001417726106	926332150	/nfs/dbraw/zinc/33/21/50/926332150.db2.gz	VCCMRNKZUHVKKR-VIFPVBQESA-N	-1	1	308.342	-1.074	20	0		DAADMM
CS(=O)(=O)CCC(=O)N[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001418097617	926364758	/nfs/dbraw/zinc/36/47/58/926364758.db2.gz	PAGPFQRPNUDOBJ-OCAPTIKFSA-N	-1	1	317.371	-1.318	20	0		DAADMM
C[C@H](CCNC(=O)CCS(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001418404938	926389570	/nfs/dbraw/zinc/38/95/70/926389570.db2.gz	KTITUYUUXWWRHV-MRVPVSSYSA-N	-1	1	319.387	-1.071	20	0		DAADMM
CN(CCNC(=O)CC1OCCCO1)Cc1nc(=O)n(C)[n-]1	ZINC001418458636	926390701	/nfs/dbraw/zinc/39/07/01/926390701.db2.gz	SXHKHTFCPRJEHY-UHFFFAOYSA-N	-1	1	313.358	-1.191	20	0		DAADMM
CN(CCNC(=O)c1cc(=O)n(C)cn1)Cc1nc(=O)n(C)[n-]1	ZINC001418471338	926393428	/nfs/dbraw/zinc/39/34/28/926393428.db2.gz	UNFMOYLRLHECIN-UHFFFAOYSA-N	-1	1	321.341	-1.936	20	0		DAADMM
Cc1cc(=O)c(C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)c[nH]1	ZINC001418510255	926399548	/nfs/dbraw/zinc/39/95/48/926399548.db2.gz	PBNMCJRVKGMPRN-UHFFFAOYSA-N	-1	1	320.353	-1.033	20	0		DAADMM
CCN(CCNC(=O)[C@]1(C)CCC(=O)N1)Cc1nc(=O)n(C)[n-]1	ZINC001418566846	926404288	/nfs/dbraw/zinc/40/42/88/926404288.db2.gz	MXVOXUQFJZAPRN-AWEZNQCLSA-N	-1	1	324.385	-1.285	20	0		DAADMM
NC(=O)c1ccc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)nc1	ZINC001418862294	926428067	/nfs/dbraw/zinc/42/80/67/926428067.db2.gz	CKOQMEDTRKPYBN-VIFPVBQESA-N	-1	1	303.282	-1.093	20	0		DAADMM
O=C(CNC(=O)c1ccncc1)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001418863766	926428675	/nfs/dbraw/zinc/42/86/75/926428675.db2.gz	ORZHGOFYUXFSJG-SNVBAGLBSA-N	-1	1	317.309	-1.075	20	0		DAADMM
CCn1nc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)ccc1=O	ZINC001418863538	926428827	/nfs/dbraw/zinc/42/88/27/926428827.db2.gz	KYWPPZBZOSVAGY-VIFPVBQESA-N	-1	1	305.298	-1.010	20	0		DAADMM
NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCOC[C@@H]2c2nn[n-]n2)O1	ZINC001418862815	926429017	/nfs/dbraw/zinc/42/90/17/926429017.db2.gz	HKBCPGJXOMEVRM-BBBLOLIVSA-N	-1	1	324.341	-1.087	20	0		DAADMM
NS(=O)(=O)C1(C(=O)N2CCC(c3nn[n-]n3)CC2)CC1	ZINC001418998924	926442419	/nfs/dbraw/zinc/44/24/19/926442419.db2.gz	VMSXMQQJCBXUSU-UHFFFAOYSA-N	-1	1	300.344	-1.273	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)Cc3ccon3)C2)nc1=O	ZINC001419016232	926443689	/nfs/dbraw/zinc/44/36/89/926443689.db2.gz	WKPXQNYERPZDIQ-UHFFFAOYSA-N	-1	1	306.326	-1.113	20	0		DAADMM
O=C(CCN1CCCS1(=O)=O)N1CC[C@H](c2nn[n-]n2)C1	ZINC001419043456	926447679	/nfs/dbraw/zinc/44/76/79/926447679.db2.gz	OWTNYUNTJODQMZ-VIFPVBQESA-N	-1	1	314.371	-1.059	20	0		DAADMM
O=C(CCCn1c(=O)[n-][nH]c1=O)N1C[C@@H]2C[C@H]1CN2CCO	ZINC001419051183	926449105	/nfs/dbraw/zinc/44/91/05/926449105.db2.gz	CWPLAFXKROEETL-UWVGGRQHSA-N	-1	1	311.342	-1.253	20	0		DAADMM
CCN(C(=O)CNC(C)=O)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001419116303	926458993	/nfs/dbraw/zinc/45/89/93/926458993.db2.gz	BUEBBFCCYQSCPN-LLVKDONJSA-N	-1	1	324.385	-1.333	20	0		DAADMM
CC[C@H](CNC(=O)CS(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001419181696	926464920	/nfs/dbraw/zinc/46/49/20/926464920.db2.gz	XWGSQDLKRMYYLM-SSDOTTSWSA-N	-1	1	305.360	-1.461	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)CNC(=O)[C@H](C)S(C)(=O)=O	ZINC001419485906	926480479	/nfs/dbraw/zinc/48/04/79/926480479.db2.gz	UHYGBRCCONTDNA-SFYZADRCSA-N	-1	1	319.387	-1.215	20	0		DAADMM
CO[C@H](C)C(=O)NC[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CCO1	ZINC001419559313	926485484	/nfs/dbraw/zinc/48/54/84/926485484.db2.gz	YRKAWHCSBYWXQL-ZJUUUORDSA-N	-1	1	313.358	-1.540	20	0		DAADMM
COC[C@H](NC(=O)CN1CCCS1(=O)=O)c1nn[n-]n1	ZINC001419554092	926485827	/nfs/dbraw/zinc/48/58/27/926485827.db2.gz	NVRLNBOKDDUOKQ-ZETCQYMHSA-N	-1	1	304.332	-1.961	20	0		DAADMM
CO[C@@H](C)C(=O)NC[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CCO1	ZINC001419559309	926485964	/nfs/dbraw/zinc/48/59/64/926485964.db2.gz	YRKAWHCSBYWXQL-VHSXEESVSA-N	-1	1	313.358	-1.540	20	0		DAADMM
C[C@@H](CNC(=O)CN1CCOCC1=O)NCc1n[nH]c(=O)[n-]1	ZINC001419777382	926501135	/nfs/dbraw/zinc/50/11/35/926501135.db2.gz	PNNSWTORFVJVIJ-QMMMGPOBSA-N	-1	1	312.330	-2.037	20	0		DAADMM
COc1cnc(C(C)(C)NC(=O)CN2CCNC(=O)C2)[n-]c1=O	ZINC001419971296	926512768	/nfs/dbraw/zinc/51/27/68/926512768.db2.gz	GCWYQRIGOCNECH-UHFFFAOYSA-N	-1	1	323.353	-1.026	20	0		DAADMM
CN(CCN(C)C(=O)C[C@H]1CCC(=O)N1)Cc1nc(=O)n(C)[n-]1	ZINC001420024499	926516808	/nfs/dbraw/zinc/51/68/08/926516808.db2.gz	NNNIAGVYXIMPCY-SNVBAGLBSA-N	-1	1	324.385	-1.333	20	0		DAADMM
CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001420137585	926538517	/nfs/dbraw/zinc/53/85/17/926538517.db2.gz	ZNJKVLNPCRHZMY-KKZNHRDASA-N	-1	1	313.358	-1.108	20	0		DAADMM
O=C(NC[C@H](O)CNCc1n[nH]c(=O)[n-]1)[C@]1(F)CCOC1	ZINC001420156722	926546334	/nfs/dbraw/zinc/54/63/34/926546334.db2.gz	PSGHWDYAWVUTRS-HQJQHLMTSA-N	-1	1	303.294	-1.794	20	0		DAADMM
O=C(Cc1cscn1)NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001420177777	926554041	/nfs/dbraw/zinc/55/40/41/926554041.db2.gz	BOQNDAUFIPJCDL-QMMMGPOBSA-N	-1	1	312.355	-1.224	20	0		DAADMM
CCn1ncc(C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)n1	ZINC001420206395	926565301	/nfs/dbraw/zinc/56/53/01/926565301.db2.gz	JWZKPOBINHACBR-UHFFFAOYSA-N	-1	1	308.346	-1.418	20	0		DAADMM
CN(CCCO)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC001420316640	926579357	/nfs/dbraw/zinc/57/93/57/926579357.db2.gz	NLDMYJLTEAHGAL-UHFFFAOYSA-N	-1	1	308.342	-1.498	20	0		DAADMM
CN(CCNC(=O)Cc1cncn1C)Cc1nc(=O)n(C)[n-]1	ZINC001420335483	926581597	/nfs/dbraw/zinc/58/15/97/926581597.db2.gz	VLETYGWDFUKFMT-UHFFFAOYSA-N	-1	1	307.358	-1.367	20	0		DAADMM
CCN(CCNC(=O)C1=COCCO1)Cc1nc(=O)n(C)[n-]1	ZINC001420365793	926585943	/nfs/dbraw/zinc/58/59/43/926585943.db2.gz	FZJQNSVQFJXAPA-UHFFFAOYSA-N	-1	1	311.342	-1.065	20	0		DAADMM
CCN(CCNC(=O)c1cnnn1C)Cc1nc(=O)n(C)[n-]1	ZINC001420382999	926586775	/nfs/dbraw/zinc/58/67/75/926586775.db2.gz	MLLPJOXISYLQKQ-UHFFFAOYSA-N	-1	1	308.346	-1.511	20	0		DAADMM
CCN(CCNC(=O)[C@@H]1COC(=O)N1)Cc1nc(=O)n(C)[n-]1	ZINC001420384904	926586933	/nfs/dbraw/zinc/58/69/33/926586933.db2.gz	STKQMLKBQADZHA-QMMMGPOBSA-N	-1	1	312.330	-1.845	20	0		DAADMM
CCN(CCNC(=O)Cn1ncnn1)Cc1nc(=O)n(C)[n-]1	ZINC001420386019	926587989	/nfs/dbraw/zinc/58/79/89/926587989.db2.gz	ITWDBFQBOQFCPF-UHFFFAOYSA-N	-1	1	309.334	-2.267	20	0		DAADMM
CCN(CCNC(=O)c1nccnc1N)Cc1nc(=O)n(C)[n-]1	ZINC001420369984	926588132	/nfs/dbraw/zinc/58/81/32/926588132.db2.gz	QIMURKJHVJKYNU-UHFFFAOYSA-N	-1	1	320.357	-1.268	20	0		DAADMM
CCN(CCNC(=O)[C@H]1CC(=O)N(C)C1)Cc1nc(=O)n(C)[n-]1	ZINC001420394004	926589602	/nfs/dbraw/zinc/58/96/02/926589602.db2.gz	BBILFRCQEUVWGX-JTQLQIEISA-N	-1	1	324.385	-1.475	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C[C@@H]1CCN(C)C1=O	ZINC001420430968	926591177	/nfs/dbraw/zinc/59/11/77/926591177.db2.gz	JKBSJWMWMYMJTC-IUCAKERBSA-N	-1	1	310.358	-1.027	20	0		DAADMM
CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)[C@@H]1CCNC1=O	ZINC001420437318	926591344	/nfs/dbraw/zinc/59/13/44/926591344.db2.gz	JYLNFERZOVOFBI-MRVPVSSYSA-N	-1	1	312.330	-1.984	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)Cn1cccn1	ZINC001420528147	926598358	/nfs/dbraw/zinc/59/83/58/926598358.db2.gz	DWILJHRKICWORK-JTQLQIEISA-N	-1	1	307.358	-1.058	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)Cn1cccn1	ZINC001420528148	926598410	/nfs/dbraw/zinc/59/84/10/926598410.db2.gz	DWILJHRKICWORK-SNVBAGLBSA-N	-1	1	307.358	-1.058	20	0		DAADMM
CCn1ncc(C(=O)N[C@@H](C)CN(C)Cc2nc(=O)n(C)[n-]2)n1	ZINC001420561539	926602092	/nfs/dbraw/zinc/60/20/92/926602092.db2.gz	NPLFTJUHWDPKEU-VIFPVBQESA-N	-1	1	322.373	-1.030	20	0		DAADMM
Cn1[n-]c(CN(CCNC(=O)[C@@H]2COC(=O)N2)C2CC2)nc1=O	ZINC001420653258	926606723	/nfs/dbraw/zinc/60/67/23/926606723.db2.gz	GVOIAYJUMIOCLR-VIFPVBQESA-N	-1	1	324.341	-1.703	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)C[C@H]1CCC(=O)N1	ZINC001420645340	926607140	/nfs/dbraw/zinc/60/71/40/926607140.db2.gz	XNXOCXKQQINIKB-NXEZZACHSA-N	-1	1	324.385	-1.286	20	0		DAADMM
C[C@@H](CN(C)CCO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC001420650780	926607380	/nfs/dbraw/zinc/60/73/80/926607380.db2.gz	RBLNSYLDFYPBBC-VIFPVBQESA-N	-1	1	308.342	-1.500	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)NCCN(Cc1nc(=O)n(C)[n-]1)C1CC1	ZINC001420671230	926608743	/nfs/dbraw/zinc/60/87/43/926608743.db2.gz	NHQHFZZIXOUBDA-VIFPVBQESA-N	-1	1	324.385	-1.300	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001420855091	926620415	/nfs/dbraw/zinc/62/04/15/926620415.db2.gz	YGZQIOMZWUMZOU-IUCAKERBSA-N	-1	1	310.358	-1.690	20	0		DAADMM
Cc1nonc1CC(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001420885288	926625780	/nfs/dbraw/zinc/62/57/80/926625780.db2.gz	OWBFJRNAWIHULW-SECBINFHSA-N	-1	1	321.341	-1.267	20	0		DAADMM
CNC(=O)NC(=O)CN1CC(NC(=O)c2ncccc2[O-])C1	ZINC001421030275	926635816	/nfs/dbraw/zinc/63/58/16/926635816.db2.gz	MACAPVRWOSJCCH-UHFFFAOYSA-N	-1	1	307.310	-1.343	20	0		DAADMM
Cc1nnc(CC(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)o1	ZINC001421125763	926646457	/nfs/dbraw/zinc/64/64/57/926646457.db2.gz	FQUGHJVYZMCLEQ-UHFFFAOYSA-N	-1	1	321.341	-1.409	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](C)(NC(=O)Cn3cnnn3)C2)nc1=O	ZINC001421186955	926651862	/nfs/dbraw/zinc/65/18/62/926651862.db2.gz	CEQHJDHYCKYUBV-GFCCVEGCSA-N	-1	1	321.345	-2.124	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](C)(NC(=O)Cn3cnnn3)C2)nc1=O	ZINC001421187131	926652948	/nfs/dbraw/zinc/65/29/48/926652948.db2.gz	CEQHJDHYCKYUBV-LBPRGKRZSA-N	-1	1	321.345	-2.124	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)N[C@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001421199252	926653899	/nfs/dbraw/zinc/65/38/99/926653899.db2.gz	SMHANPBNXHAJON-YMTOWFKASA-N	-1	1	324.385	-1.286	20	0		DAADMM
Cc1nc(C(=O)NCC2(O)CN(Cc3nc(=O)n(C)[n-]3)C2)co1	ZINC001421424658	926697889	/nfs/dbraw/zinc/69/78/89/926697889.db2.gz	KTLXWUSXTVZVIY-UHFFFAOYSA-N	-1	1	322.325	-1.618	20	0		DAADMM
O=C(CN1CCCC1)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001421807518	926760693	/nfs/dbraw/zinc/76/06/93/926760693.db2.gz	KNTIQFYDCIUWIN-NSHDSACASA-N	-1	1	324.385	-1.077	20	0		DAADMM
CN(CCN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)Cc1nc(=O)n(C)[n-]1	ZINC001422203329	926799185	/nfs/dbraw/zinc/79/91/85/926799185.db2.gz	MSEYJPIXQSAEML-IAZYJMLFSA-N	-1	1	309.370	-1.109	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)NC[C@H](C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001422483974	926877074	/nfs/dbraw/zinc/87/70/74/926877074.db2.gz	UBJZSGFCUWRHNR-IUCAKERBSA-N	-1	1	312.374	-1.431	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)NC[C@@H](C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001422483976	926877111	/nfs/dbraw/zinc/87/71/11/926877111.db2.gz	UBJZSGFCUWRHNR-RKDXNWHRSA-N	-1	1	312.374	-1.431	20	0		DAADMM
C[C@@H](CNC(=O)CCn1cnnn1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001422575309	926888082	/nfs/dbraw/zinc/88/80/82/926888082.db2.gz	TWQYIHZXJQMEFV-VIFPVBQESA-N	-1	1	323.361	-1.878	20	0		DAADMM
CCS(=O)(=O)CC(=O)N[C@H](C)CNCc1n[nH]c(=O)[n-]1	ZINC001422606809	926892560	/nfs/dbraw/zinc/89/25/60/926892560.db2.gz	RYRHHEWGVQYNFJ-SSDOTTSWSA-N	-1	1	305.360	-1.461	20	0		DAADMM
CSC[C@H](C)C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001423191788	926960275	/nfs/dbraw/zinc/96/02/75/926960275.db2.gz	QWDCTOORKYMHJV-IUCAKERBSA-N	-1	1	317.415	-1.326	20	0		DAADMM
CSC[C@@H](C)C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001423191792	926961662	/nfs/dbraw/zinc/96/16/62/926961662.db2.gz	QWDCTOORKYMHJV-RKDXNWHRSA-N	-1	1	317.415	-1.326	20	0		DAADMM
Cc1cc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)cnn1	ZINC001423208270	926971273	/nfs/dbraw/zinc/97/12/73/926971273.db2.gz	JTNYQHFSXXURAB-JTQLQIEISA-N	-1	1	321.341	-1.913	20	0		DAADMM
CNC(=O)NCC(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)[C@H]1C	ZINC001423348126	927033637	/nfs/dbraw/zinc/03/36/37/927033637.db2.gz	VEBZBZGGCAWRIK-HTQZYQBOSA-N	-1	1	311.346	-1.482	20	0		DAADMM
Cc1cnc(C(=O)N(C)C[C@@H](O)CNCc2n[nH]c(=O)[n-]2)cn1	ZINC001423427004	927044369	/nfs/dbraw/zinc/04/43/69/927044369.db2.gz	GWGTTYXUGZXIAW-VIFPVBQESA-N	-1	1	321.341	-1.169	20	0		DAADMM
CCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)n[n-]1	ZINC001423590973	927096563	/nfs/dbraw/zinc/09/65/63/927096563.db2.gz	OQKVJXYVKFFCCX-ZCFIWIBFSA-N	-1	1	304.328	-1.001	20	0		DAADMM
CCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)[n-]n1	ZINC001423590973	927096578	/nfs/dbraw/zinc/09/65/78/927096578.db2.gz	OQKVJXYVKFFCCX-ZCFIWIBFSA-N	-1	1	304.328	-1.001	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](O)(CNC(=O)c3cocn3)C2)nc1=O	ZINC001423752694	927112269	/nfs/dbraw/zinc/11/22/69/927112269.db2.gz	YVLBEZIYYXCPNV-CYBMUJFWSA-N	-1	1	322.325	-1.537	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](O)(CNC(=O)c3cnco3)C2)nc1=O	ZINC001423783004	927126395	/nfs/dbraw/zinc/12/63/95/927126395.db2.gz	YFPUNSFBJAABJR-CYBMUJFWSA-N	-1	1	322.325	-1.537	20	0		DAADMM
CCOC(=O)[C@H](CO)[N-]S(=O)(=O)[C@H]1C[C@@H](C(=O)OC)C1	ZINC001423857411	927156299	/nfs/dbraw/zinc/15/62/99/927156299.db2.gz	UURSOAXJRGIOBS-YIZRAAEISA-N	-1	1	309.340	-1.219	20	0		DAADMM
COC[C@@H](CCO)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001423903439	927168871	/nfs/dbraw/zinc/16/88/71/927168871.db2.gz	NSFSRPOTYZYMPZ-SSDOTTSWSA-N	-1	1	307.328	-1.838	20	0		DAADMM
C[C@@H](C[S@](C)=O)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001423954662	927176841	/nfs/dbraw/zinc/17/68/41/927176841.db2.gz	DDWJGMLRJNJCNT-QQOXFEPMSA-N	-1	1	309.369	-1.469	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H]2CCN(C)C2=O)[n-]n1	ZINC001423982317	927178282	/nfs/dbraw/zinc/17/82/82/927178282.db2.gz	CQQABBOBZWUJOO-LURJTMIESA-N	-1	1	302.312	-1.295	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H]2CCN(C)C2=O)n[n-]1	ZINC001423982317	927178291	/nfs/dbraw/zinc/17/82/91/927178291.db2.gz	CQQABBOBZWUJOO-LURJTMIESA-N	-1	1	302.312	-1.295	20	0		DAADMM
C[C@@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C	ZINC001423994898	927179114	/nfs/dbraw/zinc/17/91/14/927179114.db2.gz	BPAXMPRQKDNBQV-IDJBCLPUSA-N	-1	1	315.417	-1.065	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C(=O)N(C)C)[n-]n1	ZINC001424018489	927181477	/nfs/dbraw/zinc/18/14/77/927181477.db2.gz	CFYIJPBZMXGKLN-LURJTMIESA-N	-1	1	304.328	-1.049	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C(=O)N(C)C)n[n-]1	ZINC001424018489	927181481	/nfs/dbraw/zinc/18/14/81/927181481.db2.gz	CFYIJPBZMXGKLN-LURJTMIESA-N	-1	1	304.328	-1.049	20	0		DAADMM
CC[C@H](CNS(C)(=O)=O)[N-]S(=O)(=O)N=S(C)(C)=O	ZINC001424077276	927194153	/nfs/dbraw/zinc/19/41/53/927194153.db2.gz	CAUPHRSHWCEMBD-SSDOTTSWSA-N	-1	1	321.446	-1.124	20	0		DAADMM
O=C(CN1CCCC1)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001424121424	927199127	/nfs/dbraw/zinc/19/91/27/927199127.db2.gz	GNKXBOYBSBBUAT-LLVKDONJSA-N	-1	1	324.385	-1.077	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@H]2CNC(=O)C2)c(=O)n(C)c1=O	ZINC001424235881	927210943	/nfs/dbraw/zinc/21/09/43/927210943.db2.gz	FBRDSTZDZKQXGW-ZETCQYMHSA-N	-1	1	316.339	-2.502	20	0		DAADMM
CCS(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001424860567	927258405	/nfs/dbraw/zinc/25/84/05/927258405.db2.gz	SQRXIKQCVJUKBE-HTQZYQBOSA-N	-1	1	319.387	-1.072	20	0		DAADMM
C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001424980162	927267814	/nfs/dbraw/zinc/26/78/14/927267814.db2.gz	MSJLVDZETPHDFQ-SVDPJWKOSA-N	-1	1	309.370	-1.063	20	0		DAADMM
COC[C@@H](OC)C(=O)NC[C@H](C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001425006030	927271746	/nfs/dbraw/zinc/27/17/46/927271746.db2.gz	OLEGTIZZCLGONI-VHSXEESVSA-N	-1	1	315.374	-1.294	20	0		DAADMM
C[C@@H](CNC(=O)Cn1ccnc1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001425069773	927277656	/nfs/dbraw/zinc/27/76/56/927277656.db2.gz	FHMKFJUIDIQIOK-JTQLQIEISA-N	-1	1	307.358	-1.058	20	0		DAADMM
C[C@@H](NC(=O)Cn1cnnn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001425208628	927290506	/nfs/dbraw/zinc/29/05/06/927290506.db2.gz	LGPULYHICNNYTN-MRVPVSSYSA-N	-1	1	321.345	-2.268	20	0		DAADMM
C[C@H](NC(=O)Cn1cnnn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001425208630	927290720	/nfs/dbraw/zinc/29/07/20/927290720.db2.gz	LGPULYHICNNYTN-QMMMGPOBSA-N	-1	1	321.345	-2.268	20	0		DAADMM
CCC(=O)NCC(=O)N[C@@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001425239755	927293497	/nfs/dbraw/zinc/29/34/97/927293497.db2.gz	WJJAIYALGXXAEU-VIFPVBQESA-N	-1	1	324.385	-1.429	20	0		DAADMM
C[C@@H](NC(=O)Cn1cncn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001425260568	927294936	/nfs/dbraw/zinc/29/49/36/927294936.db2.gz	BCVPWPKZZFBQHQ-SECBINFHSA-N	-1	1	320.357	-1.663	20	0		DAADMM
CC(=O)N(C)CC(=O)NC[C@@H](CO)NC(=O)c1ncccc1[O-]	ZINC001425307615	927310759	/nfs/dbraw/zinc/31/07/59/927310759.db2.gz	VVTLTJKRAUZRNJ-JTQLQIEISA-N	-1	1	324.337	-1.528	20	0		DAADMM
C[C@H](CN(C)C(=O)c1cc(=O)n(C)cn1)NCc1n[nH]c(=O)[n-]1	ZINC001425581630	927395327	/nfs/dbraw/zinc/39/53/27/927395327.db2.gz	RKZZNRQYHLOIEJ-MRVPVSSYSA-N	-1	1	321.341	-1.146	20	0		DAADMM
C[C@H](CN(C)C(=O)[C@@H](C)S(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001425610678	927398287	/nfs/dbraw/zinc/39/82/87/927398287.db2.gz	ZAVCZWCAGBTWKK-HTQZYQBOSA-N	-1	1	319.387	-1.120	20	0		DAADMM
C[C@H](C(=O)N(C)C[C@H](C)NCc1n[nH]c(=O)[n-]1)S(C)(=O)=O	ZINC001425610679	927398410	/nfs/dbraw/zinc/39/84/10/927398410.db2.gz	ZAVCZWCAGBTWKK-JGVFFNPUSA-N	-1	1	319.387	-1.120	20	0		DAADMM
C[C@@H](CN(C)C(=O)[C@H](C)S(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001425610682	927398496	/nfs/dbraw/zinc/39/84/96/927398496.db2.gz	ZAVCZWCAGBTWKK-YUMQZZPRSA-N	-1	1	319.387	-1.120	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)C[C@@H]2CCOC2)nc1=O	ZINC001425731442	927413157	/nfs/dbraw/zinc/41/31/57/927413157.db2.gz	JKMLBWQYYSYZOR-VHSXEESVSA-N	-1	1	313.358	-1.898	20	0		DAADMM
Cc1n[nH]c(C(=O)NC[C@@H](CO)N[C@@H]2CCN(C)C2=O)c1[O-]	ZINC001425747364	927421342	/nfs/dbraw/zinc/42/13/42/927421342.db2.gz	WLBZCXBTIVZHMY-DTWKUNHWSA-N	-1	1	311.342	-1.665	20	0		DAADMM
Cc1nnccc1C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001425772611	927438341	/nfs/dbraw/zinc/43/83/41/927438341.db2.gz	TXOIBBSLRPPZPJ-VIFPVBQESA-N	-1	1	321.341	-1.913	20	0		DAADMM
Cc1cnn(CC(=O)N(C)C[C@@H](O)CNCc2n[nH]c(=O)[n-]2)c1	ZINC001425980118	927494447	/nfs/dbraw/zinc/49/44/47/927494447.db2.gz	RJUGBLCDCWCBMU-JTQLQIEISA-N	-1	1	323.357	-1.376	20	0		DAADMM
COC1CC(C(=O)N(C)C[C@@H](O)CNCc2n[nH]c(=O)[n-]2)C1	ZINC001426024829	927508245	/nfs/dbraw/zinc/50/82/45/927508245.db2.gz	XCYPHHQGJOINBS-KYHHOPLUSA-N	-1	1	313.358	-1.156	20	0		DAADMM
COC1CC(C(=O)N(C)C[C@H](O)CNCc2n[nH]c(=O)[n-]2)C1	ZINC001426024820	927509854	/nfs/dbraw/zinc/50/98/54/927509854.db2.gz	XCYPHHQGJOINBS-HWOCKDDLSA-N	-1	1	313.358	-1.156	20	0		DAADMM
C[C@H](NC(=O)Cn1ncn(C)c1=O)[C@H](C)NC(=O)c1cnn[nH]1	ZINC001426511916	927545771	/nfs/dbraw/zinc/54/57/71/927545771.db2.gz	XIPGTDNMDQWPSM-YUMQZZPRSA-N	-1	1	322.329	-1.977	20	0		DAADMM
CN(CCNC(=O)[C@@H]1CCCN1C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001431175790	928001535	/nfs/dbraw/zinc/00/15/35/928001535.db2.gz	IABXFTNPUXCRHO-QMMMGPOBSA-N	-1	1	324.341	-1.435	20	0		DAADMM
CC(C)[N@@H+](C)CC(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001432265532	928123424	/nfs/dbraw/zinc/12/34/24/928123424.db2.gz	FCSUIJSHMYPJPL-UHFFFAOYSA-N	-1	1	324.341	-1.436	20	0		DAADMM
CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)CCc1nn[n-]n1	ZINC001433802341	928265483	/nfs/dbraw/zinc/26/54/83/928265483.db2.gz	AYCIHTNQIIZGMF-BDAKNGLRSA-N	-1	1	316.387	-1.034	20	0		DAADMM
CS(=O)(=O)N1CC[C@@H](NC(=O)CCCc2nn[n-]n2)C1	ZINC001434147365	928308887	/nfs/dbraw/zinc/30/88/87/928308887.db2.gz	ZIMMGFVEHJBDHU-MRVPVSSYSA-N	-1	1	302.360	-1.328	20	0		DAADMM
O=C(NC[C@]1(CO)COCC[NH2+]1)c1ccc(-c2nn[nH]n2)cn1	ZINC001434286821	928324776	/nfs/dbraw/zinc/32/47/76/928324776.db2.gz	GRKUIBNYDYXLPV-ZDUSSCGKSA-N	-1	1	319.325	-1.658	20	0		DAADMM
O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CC[C@@H](c2nn[n-]n2)C1	ZINC001434314466	928330392	/nfs/dbraw/zinc/33/03/92/928330392.db2.gz	JHHRCABPUQXWFM-RQJHMYQMSA-N	-1	1	314.327	-2.571	20	0		DAADMM
COC[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1nn[n-]n1	ZINC001434365660	928341294	/nfs/dbraw/zinc/34/12/94/928341294.db2.gz	YXNFFMSRNMIRRO-SFYZADRCSA-N	-1	1	303.344	-1.172	20	0		DAADMM
COC[C@@H](NC(=O)CS(=O)(=O)NC(C)(C)C)c1nn[n-]n1	ZINC001434364649	928341362	/nfs/dbraw/zinc/34/13/62/928341362.db2.gz	SVNWNDRHQPIORH-SSDOTTSWSA-N	-1	1	320.375	-1.279	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H](CNS(N)(=O)=O)C2)nc1=O	ZINC001434459589	928354738	/nfs/dbraw/zinc/35/47/38/928354738.db2.gz	QXVIWIFQYGSELC-MRVPVSSYSA-N	-1	1	304.376	-1.887	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H](CCO)C2CC2)c(=O)[nH]c1=O	ZINC001434547287	928363796	/nfs/dbraw/zinc/36/37/96/928363796.db2.gz	ACCRLSUBTVWIQX-QMMMGPOBSA-N	-1	1	303.340	-1.075	20	0		DAADMM
COC[C@@H](O)CCNS(=O)(=O)c1cc(C(=O)OC)n[n-]1	ZINC001434560642	928364486	/nfs/dbraw/zinc/36/44/86/928364486.db2.gz	FFXDXSTYUHIYRO-ZETCQYMHSA-N	-1	1	307.328	-1.128	20	0		DAADMM
COC[C@@H](O)CCNS(=O)(=O)c1cc(C(=O)OC)[n-]n1	ZINC001434560642	928364503	/nfs/dbraw/zinc/36/45/03/928364503.db2.gz	FFXDXSTYUHIYRO-ZETCQYMHSA-N	-1	1	307.328	-1.128	20	0		DAADMM
CS[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001434561092	928365400	/nfs/dbraw/zinc/36/54/00/928365400.db2.gz	QYAYQIGADRCRAE-BQBZGAKWSA-N	-1	1	323.396	-1.123	20	0		DAADMM
CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001434567787	928365795	/nfs/dbraw/zinc/36/57/95/928365795.db2.gz	BRIOJGJIPGZEOA-HTQZYQBOSA-N	-1	1	319.339	-1.432	20	0		DAADMM
CC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)OC	ZINC001434620613	928374434	/nfs/dbraw/zinc/37/44/34/928374434.db2.gz	KRADMAYEDSJPQT-LURJTMIESA-N	-1	1	305.312	-1.284	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]Cc2cnccn2)c(=O)n(C)c1=O	ZINC001434663049	928374771	/nfs/dbraw/zinc/37/47/71/928374771.db2.gz	ZEPDDYWTRYOMAF-UHFFFAOYSA-N	-1	1	311.323	-1.648	20	0		DAADMM
O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1C[C@H](O)C[C@H]1CO	ZINC001434830064	928386085	/nfs/dbraw/zinc/38/60/85/928386085.db2.gz	FNNRFBCDAMIMFZ-DTWKUNHWSA-N	-1	1	324.337	-1.108	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)nc1=O	ZINC001434857597	928388475	/nfs/dbraw/zinc/38/84/75/928388475.db2.gz	CROXYKXJVVFHLU-JTQLQIEISA-N	-1	1	322.369	-1.721	20	0		DAADMM
C[C@H](CNC(=O)CN1CCNC(=O)C1)NCc1n[nH]c(=O)[n-]1	ZINC001437183583	928434917	/nfs/dbraw/zinc/43/49/17/928434917.db2.gz	FEDYVLMTRSIUEG-MRVPVSSYSA-N	-1	1	311.346	-2.464	20	0		DAADMM
CC(C)S(=O)(=O)CC(=O)NC[C@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001437256431	928440559	/nfs/dbraw/zinc/44/05/59/928440559.db2.gz	DULGELZVXBXPET-QMMMGPOBSA-N	-1	1	319.387	-1.072	20	0		DAADMM
C[C@@H](CNC(=O)[C@@H]1CCc2nncn2C1)NCc1n[nH]c(=O)[n-]1	ZINC001437260923	928441168	/nfs/dbraw/zinc/44/11/68/928441168.db2.gz	JOYXOCBONPUSPO-DTWKUNHWSA-N	-1	1	320.357	-1.041	20	0		DAADMM
O=C(Cn1ncnn1)NCC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001437920231	928483463	/nfs/dbraw/zinc/48/34/63/928483463.db2.gz	SCRUEVWGFFKMEF-SECBINFHSA-N	-1	1	321.345	-1.475	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CCc3cnccn3)C2)nc1=O	ZINC001438079162	928494186	/nfs/dbraw/zinc/49/41/86/928494186.db2.gz	FKSUKMUFUSXGNH-UHFFFAOYSA-N	-1	1	317.353	-1.168	20	0		DAADMM
Cc1nc[nH]c1CC(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001438154397	928503137	/nfs/dbraw/zinc/50/31/37/928503137.db2.gz	WBZZBEKLMXCTSW-UHFFFAOYSA-N	-1	1	319.369	-1.069	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[n-]1	ZINC001438159082	928504908	/nfs/dbraw/zinc/50/49/08/928504908.db2.gz	WKCQRQWSUUBSJX-MIMYLULJSA-N	-1	1	322.369	-1.582	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)CCn3cnnn3)C2)nc1=O	ZINC001438196117	928508007	/nfs/dbraw/zinc/50/80/07/928508007.db2.gz	PVTDICAQNJKRBS-VIFPVBQESA-N	-1	1	321.345	-2.124	20	0		DAADMM
COCCC(=O)NC[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CCO1	ZINC001438561706	928523231	/nfs/dbraw/zinc/52/32/31/928523231.db2.gz	SCJBGVQRRGQRJD-JTQLQIEISA-N	-1	1	313.358	-1.538	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)Cn1ncn(C)c1=O	ZINC001438669567	928531844	/nfs/dbraw/zinc/53/18/44/928531844.db2.gz	PSCKLCKEKADIGW-QMMMGPOBSA-N	-1	1	324.345	-1.958	20	0		DAADMM
CCn1cc(C(=O)N(C)CCN(C)Cc2nc(=O)n(C)[n-]2)nn1	ZINC001438929254	928539117	/nfs/dbraw/zinc/53/91/17/928539117.db2.gz	DVRDIUYZTHXBCJ-UHFFFAOYSA-N	-1	1	322.373	-1.076	20	0		DAADMM
CCOC1CC(C(=O)NC[C@H](O)CNCc2n[nH]c(=O)[n-]2)C1	ZINC001438983327	928557046	/nfs/dbraw/zinc/55/70/46/928557046.db2.gz	MDNITNXKDZWMCG-HWOCKDDLSA-N	-1	1	313.358	-1.108	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)CCn1cncn1	ZINC001439300846	928612708	/nfs/dbraw/zinc/61/27/08/928612708.db2.gz	UBSREWLLNWWTAD-SNVBAGLBSA-N	-1	1	322.373	-1.273	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1cnn(C)c1N	ZINC001439313418	928614298	/nfs/dbraw/zinc/61/42/98/928614298.db2.gz	CABJLGGHKQEHRA-QMMMGPOBSA-N	-1	1	322.373	-1.326	20	0		DAADMM
O=C(CN1CCOCC1)N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001439455373	928621487	/nfs/dbraw/zinc/62/14/87/928621487.db2.gz	AJXFPZKANGJADR-NSHDSACASA-N	-1	1	324.385	-1.173	20	0		DAADMM
Cc1c[nH]nc1C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001440045185	928680183	/nfs/dbraw/zinc/68/01/83/928680183.db2.gz	SGHMWTMLEZNPJL-UHFFFAOYSA-N	-1	1	321.341	-1.883	20	0		DAADMM
CC(=O)NCC(=O)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001440364994	928715854	/nfs/dbraw/zinc/71/58/54/928715854.db2.gz	XEWRGSOHZXANTC-SECBINFHSA-N	-1	1	312.330	-2.037	20	0		DAADMM
CN(CCCN(C)C(=O)Cn1c(=O)[n-][nH]c1=O)CC(N)=O	ZINC001440477478	928726713	/nfs/dbraw/zinc/72/67/13/928726713.db2.gz	MAGJIRZVRWIQDJ-UHFFFAOYSA-N	-1	1	300.319	-2.045	20	0		DAADMM
C[C@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001440586930	928732672	/nfs/dbraw/zinc/73/26/72/928732672.db2.gz	FYJFIZOPPIKIRQ-WCBMZHEXSA-N	-1	1	322.369	-1.027	20	0		DAADMM
CC(=O)NCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H](C)C1	ZINC001440641109	928736878	/nfs/dbraw/zinc/73/68/78/928736878.db2.gz	XXSKKUUYVJIZOO-GXSJLCMTSA-N	-1	1	324.385	-1.286	20	0		DAADMM
CC(=O)NCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@H](C)C1	ZINC001440641114	928738480	/nfs/dbraw/zinc/73/84/80/928738480.db2.gz	XXSKKUUYVJIZOO-MWLCHTKSSA-N	-1	1	324.385	-1.286	20	0		DAADMM
C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)C1CS(=O)(=O)C1	ZINC001440818114	928745160	/nfs/dbraw/zinc/74/51/60/928745160.db2.gz	ZRLLRFHDRSUFKL-BQBZGAKWSA-N	-1	1	317.371	-1.462	20	0		DAADMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H](C)NC(=O)c1cc(=O)n(C)cn1	ZINC001440809726	928746588	/nfs/dbraw/zinc/74/65/88/928746588.db2.gz	SSMSWFJARYBMSE-HTQZYQBOSA-N	-1	1	321.341	-1.099	20	0		DAADMM
C[C@@H](CNC(=O)CCNC(N)=O)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001441010979	928753980	/nfs/dbraw/zinc/75/39/80/928753980.db2.gz	RPFFWXJZWDJNBC-QMMMGPOBSA-N	-1	1	313.362	-1.897	20	0		DAADMM
COCC(=O)NCCN1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001441050559	928759997	/nfs/dbraw/zinc/75/99/97/928759997.db2.gz	WKAUYECWLSTNTH-UHFFFAOYSA-N	-1	1	312.374	-2.011	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)CCn3cncn3)C2)nc1=O	ZINC001441079327	928764847	/nfs/dbraw/zinc/76/48/47/928764847.db2.gz	CULZYGYTKBUQJH-SNVBAGLBSA-N	-1	1	320.357	-1.519	20	0		DAADMM
CC(=O)NCC(=O)N[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CC1(C)C	ZINC001441223094	928775495	/nfs/dbraw/zinc/77/54/95/928775495.db2.gz	GPSGUWCTZXDLRA-JTQLQIEISA-N	-1	1	324.385	-1.429	20	0		DAADMM
CCS(=O)(=O)N(C)CCCNC(=O)CCc1nn[n-]n1	ZINC001441367184	928785584	/nfs/dbraw/zinc/78/55/84/928785584.db2.gz	FPBCPXTWPCNJEC-UHFFFAOYSA-N	-1	1	304.376	-1.080	20	0		DAADMM
Cn1cc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)cn1	ZINC001441664186	928805613	/nfs/dbraw/zinc/80/56/13/928805613.db2.gz	ASSXFMRSWRMGFM-VIFPVBQESA-N	-1	1	309.330	-2.278	20	0		DAADMM
Cc1ccc(CC(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)o1	ZINC001441691698	928817085	/nfs/dbraw/zinc/81/70/85/928817085.db2.gz	CQDBOUJJCSXUGB-JTQLQIEISA-N	-1	1	323.353	-1.181	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1cnsn1	ZINC001441960348	928889490	/nfs/dbraw/zinc/88/94/90/928889490.db2.gz	JGKAGQJTUINJNM-LURJTMIESA-N	-1	1	313.343	-1.416	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1ccn(C)n1	ZINC001442026896	928910667	/nfs/dbraw/zinc/91/06/67/928910667.db2.gz	DJNYURZCLLBMNX-MRVPVSSYSA-N	-1	1	309.330	-1.534	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@@H](O)CN(C)C(=O)c1nc[nH]n1	ZINC001442088993	928926852	/nfs/dbraw/zinc/92/68/52/928926852.db2.gz	DQOPZTCRQJKLAL-MRVPVSSYSA-N	-1	1	324.345	-2.209	20	0		DAADMM
CC(C)NS(=O)(=O)CCNC(=O)CCCc1nn[n-]n1	ZINC001442371718	928943627	/nfs/dbraw/zinc/94/36/27/928943627.db2.gz	DEFRAEQSRVTCGT-UHFFFAOYSA-N	-1	1	304.376	-1.034	20	0		DAADMM
CN(CCNC(=O)[C@@H]1CCNC(=O)CC1)Cc1nc(=O)n(C)[n-]1	ZINC001442490916	928950346	/nfs/dbraw/zinc/95/03/46/928950346.db2.gz	TXTJIRPQHKNZMQ-JTQLQIEISA-N	-1	1	324.385	-1.427	20	0		DAADMM
CN1CCn2ncc(C(=O)NCc3nn[n-]n3)c2S1(=O)=O	ZINC001443334023	929001021	/nfs/dbraw/zinc/00/10/21/929001021.db2.gz	JDQQILSVEZTCAD-UHFFFAOYSA-N	-1	1	312.315	-2.040	20	0		DAADMM
O=C(CCn1cnccc1=O)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001443448662	929005184	/nfs/dbraw/zinc/00/51/84/929005184.db2.gz	KMAQPVCXIGPNPP-SECBINFHSA-N	-1	1	305.298	-1.253	20	0		DAADMM
CC[C@H](NC(C)=O)C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001443515496	929010421	/nfs/dbraw/zinc/01/04/21/929010421.db2.gz	XNGVTQPGUXBYEC-JTQLQIEISA-N	-1	1	310.358	-1.677	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)CCCC(N)=O)C2)nc1=O	ZINC001443665248	929020646	/nfs/dbraw/zinc/02/06/46/929020646.db2.gz	IUBACQUPXHYJAW-UHFFFAOYSA-N	-1	1	310.358	-1.688	20	0		DAADMM
CC[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)NCc1n[nH]c(=O)[n-]1	ZINC001443972204	929038604	/nfs/dbraw/zinc/03/86/04/929038604.db2.gz	WLEPVZPVONVDCA-JGVFFNPUSA-N	-1	1	311.346	-1.482	20	0		DAADMM
CC[C@H](CNC(=O)c1ccc(=O)n(C)n1)NCc1n[nH]c(=O)[n-]1	ZINC001444022634	929039943	/nfs/dbraw/zinc/03/99/43/929039943.db2.gz	AVPMNWSLOGNUSM-MRVPVSSYSA-N	-1	1	321.341	-1.098	20	0		DAADMM
O=C(NC[C@@H](CO)NC(=O)c1ncccc1[O-])C1=COCCO1	ZINC001444059847	929046455	/nfs/dbraw/zinc/04/64/55/929046455.db2.gz	OURKJTNLODSCNV-VIFPVBQESA-N	-1	1	323.305	-1.118	20	0		DAADMM
CCC(=O)NCC(=O)N(C)CCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001444954015	929158001	/nfs/dbraw/zinc/15/80/01/929158001.db2.gz	HFIXHPQGTIFSAA-UHFFFAOYSA-N	-1	1	312.374	-1.475	20	0		DAADMM
CN(CCN(C)C(=O)Cn1ncnn1)Cc1nc(=O)n(C)[n-]1	ZINC001444987929	929159143	/nfs/dbraw/zinc/15/91/43/929159143.db2.gz	LQYGLZOCCUGYQK-UHFFFAOYSA-N	-1	1	309.334	-2.315	20	0		DAADMM
C[C@H](C(=O)N[C@@H](C)CNCc1n[nH]c(=O)[n-]1)S(C)(=O)=O	ZINC001445570937	929236587	/nfs/dbraw/zinc/23/65/87/929236587.db2.gz	ZQLDAYQIYTZZAA-NKWVEPMBSA-N	-1	1	305.360	-1.462	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@H](C)n1cncn1	ZINC001445715189	929251744	/nfs/dbraw/zinc/25/17/44/929251744.db2.gz	WYGBHYCYHLBPTN-ZJUUUORDSA-N	-1	1	322.373	-1.102	20	0		DAADMM
C[C@H](C(=O)N[C@@H](C)CN(C)Cc1nc(=O)n(C)[n-]1)n1cncn1	ZINC001445715185	929252410	/nfs/dbraw/zinc/25/24/10/929252410.db2.gz	WYGBHYCYHLBPTN-VHSXEESVSA-N	-1	1	322.373	-1.102	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@H]1CCC(=O)N1C	ZINC001445787142	929258160	/nfs/dbraw/zinc/25/81/60/929258160.db2.gz	RNMXKTAHULBZFH-NXEZZACHSA-N	-1	1	324.385	-1.334	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1c[nH]c(=O)cn1	ZINC001445820280	929260226	/nfs/dbraw/zinc/26/02/26/929260226.db2.gz	TZPBZYBCBKKVOI-MRVPVSSYSA-N	-1	1	321.341	-1.558	20	0		DAADMM
CCC(=O)NCC(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001446020185	929266758	/nfs/dbraw/zinc/26/67/58/929266758.db2.gz	QPGWUYBNXZUFDK-SECBINFHSA-N	-1	1	310.358	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)C[C@H]2CCNC2=O)nc1=O	ZINC001446056283	929270630	/nfs/dbraw/zinc/27/06/30/929270630.db2.gz	PNJYYNDOXYEILH-ZJUUUORDSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)C[C@@H]2COC(=O)C2)nc1=O	ZINC001446029185	929270791	/nfs/dbraw/zinc/27/07/91/929270791.db2.gz	AFPSDPZYWPCDNO-VHSXEESVSA-N	-1	1	323.353	-1.248	20	0		DAADMM
C[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001446760634	929313903	/nfs/dbraw/zinc/31/39/03/929313903.db2.gz	CDSRNOKHPHKXEO-GPCCPHFNSA-N	-1	1	309.370	-1.183	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](O)(CNC(=O)[C@@H]3CC34CC4)C2)nc1=O	ZINC001446781538	929319457	/nfs/dbraw/zinc/31/94/57/929319457.db2.gz	BABJTMZTSXSLMH-BONVTDFDSA-N	-1	1	321.381	-1.039	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](O)(CNC(=O)[C@H]3CC34CC4)C2)nc1=O	ZINC001446781533	929321391	/nfs/dbraw/zinc/32/13/91/929321391.db2.gz	BABJTMZTSXSLMH-BMIGLBTASA-N	-1	1	321.381	-1.039	20	0		DAADMM
Cc1cc(C(=O)NCC2(O)CN(Cc3nc(=O)n(C)[n-]3)C2)no1	ZINC001446814870	929327680	/nfs/dbraw/zinc/32/76/80/929327680.db2.gz	MMMIHWLPRYDLTO-UHFFFAOYSA-N	-1	1	322.325	-1.618	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)c3cn[nH]c3)C2)nc1=O	ZINC001446832898	929332801	/nfs/dbraw/zinc/33/28/01/929332801.db2.gz	DRELQTAKBYLSLV-UHFFFAOYSA-N	-1	1	307.314	-2.192	20	0		DAADMM
COCC1(O)CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC001447196169	929376129	/nfs/dbraw/zinc/37/61/29/929376129.db2.gz	OFRVQKMOJDMJGP-UHFFFAOYSA-N	-1	1	311.338	-1.073	20	0		DAADMM
CCC(=O)NCC(=O)NC[C@@H](C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001447993934	929423295	/nfs/dbraw/zinc/42/32/95/929423295.db2.gz	LQIFMTSZXDDQKP-SECBINFHSA-N	-1	1	312.374	-1.429	20	0		DAADMM
C[C@H]1C[C@@H]1C(=O)NC1(CCO)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001448157967	929434815	/nfs/dbraw/zinc/43/48/15/929434815.db2.gz	PGCAZQLCUGKYMM-UWVGGRQHSA-N	-1	1	309.370	-1.183	20	0		DAADMM
C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)NCc1n[nH]c(=O)[n-]1	ZINC001448727535	929468408	/nfs/dbraw/zinc/46/84/08/929468408.db2.gz	WLZBDRGFEPIVFB-SFYZADRCSA-N	-1	1	311.346	-1.530	20	0		DAADMM
CO[C@H](C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1)C1CC1	ZINC001448823030	929481882	/nfs/dbraw/zinc/48/18/82/929481882.db2.gz	GNYTYSFBARAGLB-KOLCDFICSA-N	-1	1	313.358	-1.900	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)c2ccnnc2)nc1=O	ZINC001448899557	929510739	/nfs/dbraw/zinc/51/07/39/929510739.db2.gz	GTZPYCRIHXIVDB-VIFPVBQESA-N	-1	1	307.314	-2.221	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)nc1=O	ZINC001448894849	929511531	/nfs/dbraw/zinc/51/15/31/929511531.db2.gz	MGIGBPFNNOEIEW-REIXXSIJSA-N	-1	1	311.342	-2.433	20	0		DAADMM
Cc1coc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)c1	ZINC001448899143	929511705	/nfs/dbraw/zinc/51/17/05/929511705.db2.gz	SWDABGHSAYLHIC-VIFPVBQESA-N	-1	1	309.326	-1.110	20	0		DAADMM
CC(=O)NCC(=O)N[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)[C@H]1C	ZINC001449029195	929532563	/nfs/dbraw/zinc/53/25/63/929532563.db2.gz	OTBTZGWOBNAWCM-ONGXEEELSA-N	-1	1	324.385	-1.286	20	0		DAADMM
CC(=O)NCC(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)C(C)(C)C1	ZINC001449066971	929534650	/nfs/dbraw/zinc/53/46/50/929534650.db2.gz	HBPHDMJOYKVJOB-SECBINFHSA-N	-1	1	310.358	-1.027	20	0		DAADMM
C[C@H](C(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)n1cccn1	ZINC001449097733	929539935	/nfs/dbraw/zinc/53/99/35/929539935.db2.gz	VBZKQOYZVODZIT-ZJUUUORDSA-N	-1	1	323.357	-1.123	20	0		DAADMM
CC[C@H](CNS(C)(=O)=O)NC(=O)CCCc1nn[n-]n1	ZINC001449789568	929595733	/nfs/dbraw/zinc/59/57/33/929595733.db2.gz	QYNWTBNZWLJVNE-MRVPVSSYSA-N	-1	1	304.376	-1.034	20	0		DAADMM
NC(=O)[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccccn1	ZINC001450120505	929609044	/nfs/dbraw/zinc/60/90/44/929609044.db2.gz	WRSFQTODSZTMNO-NSHDSACASA-N	-1	1	317.305	-1.336	20	0		DAADMM
CCOCC(=O)NC1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001450266947	929615164	/nfs/dbraw/zinc/61/51/64/929615164.db2.gz	UHXJGANRSSYXHX-UHFFFAOYSA-N	-1	1	320.309	-1.605	20	0		DAADMM
COCC(=O)N(C)C[C@@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001450885851	929629739	/nfs/dbraw/zinc/62/97/39/929629739.db2.gz	ASFOSSMLWMDCFK-MRVPVSSYSA-N	-1	1	322.325	-1.359	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCNC(=O)CC1CC1	ZINC001522486208	929670910	/nfs/dbraw/zinc/67/09/10/929670910.db2.gz	SOIFXJFCDMVDKP-UHFFFAOYSA-N	-1	1	308.338	-1.041	20	0		DAADMM
O=C(C[C@@H]1CC(=O)NC1=O)NCCNC(=O)c1ncccc1[O-]	ZINC001522597940	929683468	/nfs/dbraw/zinc/68/34/68/929683468.db2.gz	QWAVTQDXXAEZGV-MRVPVSSYSA-N	-1	1	320.305	-1.314	20	0		DAADMM
CNS(=O)(=O)CC(=O)NCCNC(=O)c1ncccc1[O-]	ZINC001522600586	929685182	/nfs/dbraw/zinc/68/51/82/929685182.db2.gz	OGBSWSHFFJAKLW-UHFFFAOYSA-N	-1	1	316.339	-1.818	20	0		DAADMM
C[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001530540595	929854624	/nfs/dbraw/zinc/85/46/24/929854624.db2.gz	IOSJKSXSOOHUCA-KOLCDFICSA-N	-1	1	320.349	-1.090	20	0		DAADMM
CO[C@@H](C)C(=O)N[C@H](C)CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001533653488	929955349	/nfs/dbraw/zinc/95/53/49/929955349.db2.gz	RHOGTHWIDXCYDP-SFYZADRCSA-N	-1	1	322.325	-1.313	20	0		DAADMM
NC(=O)CN(CC(N)=O)C(=O)c1ccc2n[n-]c(=S)n2c1	ZINC001542862298	930024406	/nfs/dbraw/zinc/02/44/06/930024406.db2.gz	CXUPHJPRENTPSW-UHFFFAOYSA-N	-1	1	308.323	-1.569	20	0		DAADMM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@H]2OCCN[C@H]2C1	ZINC001549044811	930048764	/nfs/dbraw/zinc/04/87/64/930048764.db2.gz	JKTWEEKVSMIRSV-WDEREUQCSA-N	-1	1	318.337	-1.340	20	0		DAADMM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@@H]2OCCN[C@H]2C1	ZINC001549044810	930049199	/nfs/dbraw/zinc/04/91/99/930049199.db2.gz	JKTWEEKVSMIRSV-QWRGUYRKSA-N	-1	1	318.337	-1.340	20	0		DAADMM
Cc1nnc(CCNC(=O)CCn2cc[n-]c(=O)c2=O)n1C	ZINC001556253035	930078270	/nfs/dbraw/zinc/07/82/70/930078270.db2.gz	XDSZWZJFHRUQEO-UHFFFAOYSA-N	-1	1	306.326	-1.277	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N[C@H](CO)[C@@H]1CCCOC1	ZINC001557019612	930083127	/nfs/dbraw/zinc/08/31/27/930083127.db2.gz	ALGKPOWPPJIURF-GHMZBOCLSA-N	-1	1	311.338	-1.170	20	0		DAADMM
Cn1nncc1C1(O)CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001558091304	930086153	/nfs/dbraw/zinc/08/61/53/930086153.db2.gz	IQAJTVHADVBOPV-UHFFFAOYSA-N	-1	1	320.309	-2.215	20	0		DAADMM
Cn1c(=O)ccn(CC(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c1=O	ZINC000322632339	970912821	/nfs/dbraw/zinc/91/28/21/970912821.db2.gz	SOIXQYLJNZTCRA-SECBINFHSA-N	-1	1	321.293	-1.918	20	0		DAADMM
CC(=O)N[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C1	ZINC001573498256	946361824	/nfs/dbraw/zinc/36/18/24/946361824.db2.gz	YIQOYXKVWIUDAI-ZETCQYMHSA-N	-1	1	320.313	-2.032	20	0		DAADMM
CC(=O)NCC(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1	ZINC001573500993	946376931	/nfs/dbraw/zinc/37/69/31/946376931.db2.gz	MULQNTJNMPYDDT-UHFFFAOYSA-N	-1	1	319.329	-1.337	20	0		DAADMM
CC(=O)NCC(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1	ZINC001573500993	946376943	/nfs/dbraw/zinc/37/69/43/946376943.db2.gz	MULQNTJNMPYDDT-UHFFFAOYSA-N	-1	1	319.329	-1.337	20	0		DAADMM
CC(=O)NCC(=O)NC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1	ZINC001573514587	946530605	/nfs/dbraw/zinc/53/06/05/946530605.db2.gz	AQVSADUNZQFOCM-ZETCQYMHSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)NC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1	ZINC001573514587	946530610	/nfs/dbraw/zinc/53/06/10/946530610.db2.gz	AQVSADUNZQFOCM-ZETCQYMHSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001573516315	946560314	/nfs/dbraw/zinc/56/03/14/946560314.db2.gz	XRHXBUAPBDFXKL-SSDOTTSWSA-N	-1	1	319.329	-1.869	20	0		DAADMM
CC(=O)NCC(=O)N[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1	ZINC001573521945	946617598	/nfs/dbraw/zinc/61/75/98/946617598.db2.gz	PUJLYZTYEJBBJF-SSDOTTSWSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1	ZINC001573521945	946617606	/nfs/dbraw/zinc/61/76/06/946617606.db2.gz	PUJLYZTYEJBBJF-SSDOTTSWSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1	ZINC001573530132	946686977	/nfs/dbraw/zinc/68/69/77/946686977.db2.gz	UBEXSAICTXRUOD-UHFFFAOYSA-N	-1	1	317.357	-1.085	20	0		DAADMM
CC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1O	ZINC001573537582	946752494	/nfs/dbraw/zinc/75/24/94/946752494.db2.gz	FQQOWEYNRKDFDC-NXEZZACHSA-N	-1	1	304.314	-1.349	20	0		DAADMM
CC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1O	ZINC001573537582	946752498	/nfs/dbraw/zinc/75/24/98/946752498.db2.gz	FQQOWEYNRKDFDC-NXEZZACHSA-N	-1	1	304.314	-1.349	20	0		DAADMM
C[C@H](C(=O)N1CC2(C1)CNC(=O)O2)n1cnc(-c2nn[n-]n2)n1	ZINC001573613698	947569048	/nfs/dbraw/zinc/56/90/48/947569048.db2.gz	GTYXMZDCNGFONT-ZCFIWIBFSA-N	-1	1	319.285	-1.660	20	0		DAADMM
C[C@H](C(=O)N1C[C@@H](O)C[C@@]1(C)CO)n1cnc(-c2nn[n-]n2)n1	ZINC001573614710	947590805	/nfs/dbraw/zinc/59/08/05/947590805.db2.gz	OEVUNBDGJKCIBI-LWINAJNOSA-N	-1	1	322.329	-1.637	20	0		DAADMM
C[C@@H](C(=O)N1CCO[C@H](C(N)=O)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573640517	947852990	/nfs/dbraw/zinc/85/29/90/947852990.db2.gz	HZNVRQOHMFUUDO-BQBZGAKWSA-N	-1	1	321.301	-2.268	20	0		DAADMM
C[C@H](C(=O)N1CCn2ncnc2C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573647101	947885745	/nfs/dbraw/zinc/88/57/45/947885745.db2.gz	CCMRCIXHSRQMJQ-SSDOTTSWSA-N	-1	1	315.301	-1.347	20	0		DAADMM
CC(=O)CCN(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001573383931	947900111	/nfs/dbraw/zinc/90/01/11/947900111.db2.gz	GYEJVZDNRFDZAQ-UHFFFAOYSA-N	-1	1	321.297	-1.434	20	0		DAADMM
C[C@H](C(=O)N1C[C@H](O)C[C@H]1C(N)=O)n1cnc(-c2nn[n-]n2)n1	ZINC001573650635	947911229	/nfs/dbraw/zinc/91/12/29/947911229.db2.gz	CPHQSLMETJFBCE-QYNIQEEDSA-N	-1	1	321.301	-2.534	20	0		DAADMM
C[C@H](C(=O)N[C@H](CO)[C@@H]1CCOC1)n1cnc(-c2nn[n-]n2)n1	ZINC001573654489	947967924	/nfs/dbraw/zinc/96/79/24/947967924.db2.gz	RMRBELOLUAZWDG-IWSPIJDZSA-N	-1	1	322.329	-1.467	20	0		DAADMM
C[C@@H](C(=O)N[C@]1(C(N)=O)CCOC1)n1cnc(-c2nn[n-]n2)n1	ZINC001573656516	947990816	/nfs/dbraw/zinc/99/08/16/947990816.db2.gz	HHDWOLIZRFFZCL-UPONEAKYSA-N	-1	1	321.301	-2.220	20	0		DAADMM
C[C@@H](C(=O)N[C@@]1(C)CCNC1=O)n1cnc(-c2nn[n-]n2)n1	ZINC001573656891	947994685	/nfs/dbraw/zinc/99/46/85/947994685.db2.gz	JNJZLIIWAJEKNR-KGFZYKRKSA-N	-1	1	305.302	-1.586	20	0		DAADMM
C[C@@H](C(=O)NC[C@@]1(C)CCC(=O)N1)n1cnc(-c2nn[n-]n2)n1	ZINC001573691758	948245748	/nfs/dbraw/zinc/24/57/48/948245748.db2.gz	JQZVUFGYXBGKMH-JVXZTZIISA-N	-1	1	319.329	-1.196	20	0		DAADMM
C[C@@H](C(=O)NC[C@@H]1CCCNC1=O)n1cnc(-c2nn[n-]n2)n1	ZINC001573702913	948350110	/nfs/dbraw/zinc/35/01/10/948350110.db2.gz	HHKSURRMYCMHAW-YUMQZZPRSA-N	-1	1	319.329	-1.338	20	0		DAADMM
C[C@H](C(=O)NCCC[S@](C)=O)n1cnc(-c2nn[n-]n2)n1	ZINC001573713758	948468001	/nfs/dbraw/zinc/46/80/01/948468001.db2.gz	BJNDUWQEBHSVSY-QFWYVNQISA-N	-1	1	312.359	-1.096	20	0		DAADMM
C[C@@H](C(=O)NCCS(C)(=O)=O)n1cnc(-c2nn[n-]n2)n1	ZINC001573718853	948520903	/nfs/dbraw/zinc/52/09/03/948520903.db2.gz	UPQXUGLNBVNTAA-LURJTMIESA-N	-1	1	314.331	-1.820	20	0		DAADMM
C[C@H](C(=O)NCc1nccc(N)n1)n1cnc(-c2nn[n-]n2)n1	ZINC001573730590	948583023	/nfs/dbraw/zinc/58/30/23/948583023.db2.gz	RUSZBERLGXGMRS-ZCFIWIBFSA-N	-1	1	315.301	-1.292	20	0		DAADMM
CC[N@H+](CC(N)=O)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1	ZINC001570921373	948620768	/nfs/dbraw/zinc/62/07/68/948620768.db2.gz	XPRBADZUYYIFFO-UHFFFAOYSA-N	-1	1	317.313	-1.078	20	0		DAADMM
CC[N@@H+](CC(N)=O)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1	ZINC001570921373	948620770	/nfs/dbraw/zinc/62/07/70/948620770.db2.gz	XPRBADZUYYIFFO-UHFFFAOYSA-N	-1	1	317.313	-1.078	20	0		DAADMM
C[C@H](C(=O)NCC[C@@H]1CNC(=O)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001570921733	948626782	/nfs/dbraw/zinc/62/67/82/948626782.db2.gz	MUPKMBYQIMWEGW-SFYZADRCSA-N	-1	1	319.329	-1.338	20	0		DAADMM
C[C@@H]1CN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1	ZINC001570921869	948629331	/nfs/dbraw/zinc/62/93/31/948629331.db2.gz	BQTUXWZGPAJRSQ-SSDOTTSWSA-N	-1	1	321.297	-1.624	20	0		DAADMM
Cn1c(=O)[nH]c(N2CC[C@@H](O)C(C)(C)C2)c(-c2nn[n-]n2)c1=O	ZINC001570921964	948631291	/nfs/dbraw/zinc/63/12/91/948631291.db2.gz	DEZZYYAKFGHWQY-SSDOTTSWSA-N	-1	1	321.341	-1.149	20	0		DAADMM
C[C@H](C(=O)N[C@@H]1CC[C@H](C(N)=O)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573740740	948642188	/nfs/dbraw/zinc/64/21/88/948642188.db2.gz	NQUNVKDVCPYKEV-GJMOJQLCSA-N	-1	1	319.329	-1.211	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H]2C(N)=O)n(C)c1=O	ZINC001570922483	948642563	/nfs/dbraw/zinc/64/25/63/948642563.db2.gz	KALFNSMFMQJCKH-ZCFIWIBFSA-N	-1	1	320.313	-2.282	20	0		DAADMM
C[C@@H]1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[S@@]1=O	ZINC001570922685	948645443	/nfs/dbraw/zinc/64/54/43/948645443.db2.gz	LXMWMRJCFRVEJB-PJLCYMMNSA-N	-1	1	324.370	-1.172	20	0		DAADMM
CN(c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@@H]1CCC[C@H]1O	ZINC001570922856	948648758	/nfs/dbraw/zinc/64/87/58/948648758.db2.gz	PFZSCIYJQYPUEL-HTQZYQBOSA-N	-1	1	321.341	-1.386	20	0		DAADMM
O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCCCN1	ZINC001570922985	948650787	/nfs/dbraw/zinc/65/07/87/948650787.db2.gz	RFVHRUQXZNSQHY-UHFFFAOYSA-N	-1	1	320.313	-1.354	20	0		DAADMM
O=C(NCCn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCCNC1=O	ZINC001570923074	948655048	/nfs/dbraw/zinc/65/50/48/948655048.db2.gz	TUCLOAITCVDXIL-ZETCQYMHSA-N	-1	1	320.317	-1.964	20	0		DAADMM
CC[C@@H]1[C@H](CO)CCN1c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1	ZINC001570923371	948660195	/nfs/dbraw/zinc/66/01/95/948660195.db2.gz	YNXPLFILJHHZOT-JGVFFNPUSA-N	-1	1	321.341	-1.149	20	0		DAADMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](CO)[C@@H]1CCCOC1	ZINC001570929905	948790559	/nfs/dbraw/zinc/79/05/59/948790559.db2.gz	BDBAHEOSQHEDAQ-BDAKNGLRSA-N	-1	1	322.329	-1.638	20	0		DAADMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](CO)[C@H]1CCCOC1	ZINC001570929907	948791717	/nfs/dbraw/zinc/79/17/17/948791717.db2.gz	BDBAHEOSQHEDAQ-IUCAKERBSA-N	-1	1	322.329	-1.638	20	0		DAADMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](CO)[C@H]1CCCOC1	ZINC001570929906	948792053	/nfs/dbraw/zinc/79/20/53/948792053.db2.gz	BDBAHEOSQHEDAQ-DTWKUNHWSA-N	-1	1	322.329	-1.638	20	0		DAADMM
C[C@H](C(=O)Nc1cnn(C)c(=O)c1)n1cnc(-c2nn[n-]n2)n1	ZINC001573756064	948798730	/nfs/dbraw/zinc/79/87/30/948798730.db2.gz	WNHHYIIQOWVIEC-ZCFIWIBFSA-N	-1	1	316.285	-1.248	20	0		DAADMM
C[C@@H](CCO)N(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001574695034	949101401	/nfs/dbraw/zinc/10/14/01/949101401.db2.gz	YRWXURLRGKVDNF-ZETCQYMHSA-N	-1	1	323.313	-1.642	20	0		DAADMM
Cn1c(=O)ccn(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1=O	ZINC000378724459	971574663	/nfs/dbraw/zinc/57/46/63/971574663.db2.gz	SOIXQYLJNZTCRA-VIFPVBQESA-N	-1	1	321.293	-1.918	20	0		DAADMM
C[C@@H]1CCN(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)C[C@@H]1O	ZINC001576190631	950167340	/nfs/dbraw/zinc/16/73/40/950167340.db2.gz	BZYMBSJUYNIIBE-BDAKNGLRSA-N	-1	1	321.345	-1.130	20	0		DAADMM
C[C@@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@@H]1O	ZINC001576213782	950647692	/nfs/dbraw/zinc/64/76/92/950647692.db2.gz	IEHZFELCQOMOPZ-SFYZADRCSA-N	-1	1	321.341	-1.529	20	0		DAADMM
O=C([O-])CN1CC[C@@H](N2CCC(C(=O)NCCO)CC2)C1=O	ZINC001595072451	951607283	/nfs/dbraw/zinc/60/72/83/951607283.db2.gz	ROLUZYYWMQCZJI-LLVKDONJSA-N	-1	1	313.354	-1.508	20	0		DAADMM
O=C([O-])CN1CCC[C@H](C(=O)NC[C@@H](O)c2cnc[nH]2)C1=O	ZINC001595085702	951724754	/nfs/dbraw/zinc/72/47/54/951724754.db2.gz	VVULXPHHBFGMNJ-PSASIEDQSA-N	-1	1	310.310	-1.118	20	0		DAADMM
CN(C)CC(=O)N1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC1	ZINC001593691892	954042943	/nfs/dbraw/zinc/04/29/43/954042943.db2.gz	FBWXTVMTZOOSDB-UHFFFAOYSA-N	-1	1	309.326	-1.046	20	0		DAADMM
CN(CCC(=O)[O-])CC(=O)NCCCN(C)S(C)(=O)=O	ZINC001593736949	954341842	/nfs/dbraw/zinc/34/18/42/954341842.db2.gz	FHJAXJVMJHZHLC-UHFFFAOYSA-N	-1	1	309.388	-1.209	20	0		DAADMM
CN1CCN(C)[C@H](CNC(=O)C(=O)NCCCCC(=O)[O-])C1	ZINC001593780638	954652338	/nfs/dbraw/zinc/65/23/38/954652338.db2.gz	AGPLBGXXBADFTQ-LLVKDONJSA-N	-1	1	314.386	-1.281	20	0		DAADMM
C[C@@H](CNC(=O)C(=O)NC[C@H]1CN(C)CCN1C)C(=O)[O-]	ZINC001589037149	955558327	/nfs/dbraw/zinc/55/83/27/955558327.db2.gz	XCJVLPGLFNWKIC-UWVGGRQHSA-N	-1	1	300.359	-1.815	20	0		DAADMM
C[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)C(=O)[O-]	ZINC001589037149	955558310	/nfs/dbraw/zinc/55/83/10/955558310.db2.gz	XCJVLPGLFNWKIC-UWVGGRQHSA-N	-1	1	300.359	-1.815	20	0		DAADMM
C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)C(=O)[O-]	ZINC001589037151	955558491	/nfs/dbraw/zinc/55/84/91/955558491.db2.gz	XCJVLPGLFNWKIC-ZJUUUORDSA-N	-1	1	300.359	-1.815	20	0		DAADMM
C[C@H](CNC(=O)C(=O)NC[C@H]1CN(C)CCN1C)C(=O)[O-]	ZINC001589037151	955558505	/nfs/dbraw/zinc/55/85/05/955558505.db2.gz	XCJVLPGLFNWKIC-ZJUUUORDSA-N	-1	1	300.359	-1.815	20	0		DAADMM
Cn1nc(C(=O)[O-])cc1CNC[C@]1(O)CCS(=O)(=O)C1	ZINC001594571912	955895027	/nfs/dbraw/zinc/89/50/27/955895027.db2.gz	FWTSIEKWFASQQO-LLVKDONJSA-N	-1	1	303.340	-1.243	20	0		DAADMM
CO[C@@H](C(=O)[O-])C(=O)N1CCN([C@H]2CCNC(=O)CC2)CC1	ZINC001593904828	955897914	/nfs/dbraw/zinc/89/79/14/955897914.db2.gz	ARUZCELRIIRAOI-ZYHUDNBSSA-N	-1	1	313.354	-1.101	20	0		DAADMM
COC1(C(=O)NC2CCN(CC(=O)[O-])CC2)CS(=O)(=O)C1	ZINC001593944128	956310560	/nfs/dbraw/zinc/31/05/60/956310560.db2.gz	XSZWPGFDGYTRJC-UHFFFAOYSA-N	-1	1	320.367	-1.535	20	0		DAADMM
NC(=O)C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001594636031	956372700	/nfs/dbraw/zinc/37/27/00/956372700.db2.gz	AFZYCOCSMIPHPB-RFZPGFLSSA-N	-1	1	311.216	-1.406	20	0		DAADMM
COCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1	ZINC001594014406	957015286	/nfs/dbraw/zinc/01/52/86/957015286.db2.gz	DJYMGKPDEOOUSQ-MNOVXSKESA-N	-1	1	313.354	-1.244	20	0		DAADMM
COCCN1CC[C@H](NC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001594015118	957027089	/nfs/dbraw/zinc/02/70/89/957027089.db2.gz	PQELFULJFSNUSF-GARJFASQSA-N	-1	1	313.354	-1.197	20	0		DAADMM
O=C([O-])Cn1cc(C(=O)N[C@H](CO)CN2CCCCC2)nn1	ZINC001574738157	957673939	/nfs/dbraw/zinc/67/39/39/957673939.db2.gz	NRGFWIQBVSZDEA-JTQLQIEISA-N	-1	1	311.342	-1.061	20	0		DAADMM
CC(=O)NCCN(C(=O)CCCc1nn[nH]n1)[C@@H](C)C(=O)[O-]	ZINC001588506702	958730622	/nfs/dbraw/zinc/73/06/22/958730622.db2.gz	NTBWOGZENJRVQX-QMMMGPOBSA-N	-1	1	312.330	-1.040	20	0		DAADMM
C[N@@H+](CCNC(=O)CCCn1c(=O)[n-][nH]c1=O)CC(=O)[O-]	ZINC001571074017	960927308	/nfs/dbraw/zinc/92/73/08/960927308.db2.gz	DPLQZFPSFSAZIG-UHFFFAOYSA-N	-1	1	301.303	-1.398	20	0		DAADMM
CN(CC(=O)NCC[C@H](O)C(=O)[O-])c1ncnc2[nH]cnc21	ZINC001571098578	961203767	/nfs/dbraw/zinc/20/37/67/961203767.db2.gz	VMGUTJRYGPPBFY-ZETCQYMHSA-N	-1	1	308.298	-1.259	20	0		DAADMM
CO[C@]1(C(=O)NCCN(C)CC(=O)[O-])CCS(=O)(=O)C1	ZINC001571102563	961244686	/nfs/dbraw/zinc/24/46/86/961244686.db2.gz	NPWCVJYDIUKQFG-LLVKDONJSA-N	-1	1	308.356	-1.677	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	ZINC001571123207	961465302	/nfs/dbraw/zinc/46/53/02/961465302.db2.gz	OALCZRBZPHAMMP-NSHDSACASA-N	-1	1	314.386	-1.342	20	0		DAADMM
C[C@H](NC(=O)[C@H](C)NC(=O)CN(C)[C@@H]1CCC[C@H]1O)C(=O)[O-]	ZINC001571125908	961497517	/nfs/dbraw/zinc/49/75/17/961497517.db2.gz	KFSVXACYIWGBEV-UKKRHICBSA-N	-1	1	315.370	-1.074	20	0		DAADMM
CN(C)S(=O)(=O)NCCNCc1cc(C(=O)[O-])nn1C	ZINC001573991497	961832443	/nfs/dbraw/zinc/83/24/43/961832443.db2.gz	KPRBSJKVDATMOR-UHFFFAOYSA-N	-1	1	305.360	-1.396	20	0		DAADMM
CCCNC(=O)CN(C)C(=O)CN1CCN(CC(=O)[O-])CC1	ZINC000314297693	963737689	/nfs/dbraw/zinc/73/76/89/963737689.db2.gz	NJFQODOVWRZHFP-UHFFFAOYSA-N	-1	1	314.386	-1.327	20	0		DAADMM
CN1C(=O)C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])no2)C1=O	ZINC000315395844	963895388	/nfs/dbraw/zinc/89/53/88/963895388.db2.gz	AHEFDGWTSXTQPL-SCSAIBSYSA-N	-1	1	303.252	-1.592	20	0		DAADMM
C[C@@H](C(=O)N(C)C)S(=O)(=O)N(CCN(C)C)CC(=O)[O-]	ZINC001609696237	970456346	/nfs/dbraw/zinc/45/63/46/970456346.db2.gz	FCBIVSDNZWRUJX-VIFPVBQESA-N	-1	1	309.388	-1.259	20	0		DAADMM
CC1(C)NC(=O)N(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C1=O	ZINC000320665056	970695213	/nfs/dbraw/zinc/69/52/13/970695213.db2.gz	MEYUUNZVTRXYHF-QMMMGPOBSA-N	-1	1	323.309	-1.148	20	0		DAADMM
CNC(=O)Cc1noc(CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1	ZINC001604240875	972760548	/nfs/dbraw/zinc/76/05/48/972760548.db2.gz	OAGBVKKEYFKWBG-AMIZOPFISA-N	-1	1	310.310	-1.109	20	0		DAADMM
COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@@H](C)C(=O)[O-]	ZINC001604325744	973006170	/nfs/dbraw/zinc/00/61/70/973006170.db2.gz	AMQYGJHFISBSLX-LLVKDONJSA-N	-1	1	315.370	-1.044	20	0		DAADMM
COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@H](C)C(=O)[O-]	ZINC001604325745	973006292	/nfs/dbraw/zinc/00/62/92/973006292.db2.gz	AMQYGJHFISBSLX-NSHDSACASA-N	-1	1	315.370	-1.044	20	0		DAADMM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCCc1nn[nH]n1	ZINC001606054064	973163943	/nfs/dbraw/zinc/16/39/43/973163943.db2.gz	ZDLZYKRWCDPSCS-ZETCQYMHSA-N	-1	1	317.327	-1.767	20	0		DAADMM
CN1CCN(C)[C@H](CNC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1	ZINC000401791034	973393319	/nfs/dbraw/zinc/39/33/19/973393319.db2.gz	NMPDVXCZBUIQEH-IJLUTSLNSA-N	-1	1	314.386	-1.291	20	0		DAADMM
Cc1nc(CN2CCN(C(=O)[C@H]3CC(C(=O)[O-])=NO3)CC2)n[nH]1	ZINC001605403472	973398038	/nfs/dbraw/zinc/39/80/38/973398038.db2.gz	JSXNUGCFEMHUMQ-SNVBAGLBSA-N	-1	1	322.325	-1.013	20	0		DAADMM
CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC001606237218	973510464	/nfs/dbraw/zinc/51/04/64/973510464.db2.gz	ANRRAESSRUKVOG-GHMZBOCLSA-N	-1	1	312.370	-1.719	20	0		DAADMM
CN1CCN(C)[C@H](CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1	ZINC001606237218	973510475	/nfs/dbraw/zinc/51/04/75/973510475.db2.gz	ANRRAESSRUKVOG-GHMZBOCLSA-N	-1	1	312.370	-1.719	20	0		DAADMM
Cn1nccc1[C@H](NCc1cc(=O)n(C)c(=O)n1C)C(=O)[O-]	ZINC001605568186	973816491	/nfs/dbraw/zinc/81/64/91/973816491.db2.gz	NCHXODXWBQZDKN-NSHDSACASA-N	-1	1	307.310	-1.267	20	0		DAADMM
NC(=O)Cn1cc(CN[C@@H](Cc2ccncc2)C(=O)[O-])nn1	ZINC001605634389	973984427	/nfs/dbraw/zinc/98/44/27/973984427.db2.gz	MMCAOZWSRXKEJO-NSHDSACASA-N	-1	1	304.310	-1.056	20	0		DAADMM
O=C([O-])c1cnc(C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)cn1	ZINC001606536534	974058716	/nfs/dbraw/zinc/05/87/16/974058716.db2.gz	QFMYZOFOUXNJOG-MRVPVSSYSA-N	-1	1	305.254	-1.098	20	0		DAADMM
CN(C)CC(=O)N1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1	ZINC001604057713	974590764	/nfs/dbraw/zinc/59/07/64/974590764.db2.gz	PDFQLDIKZSJQAH-AWEZNQCLSA-N	-1	1	313.354	-1.147	20	0		DAADMM
C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2OCCN(C)C2=O)CC1	ZINC001592410804	978006812	/nfs/dbraw/zinc/00/68/12/978006812.db2.gz	SDUWZXWAHCHFSQ-CMPLNLGQSA-N	-1	1	313.354	-1.149	20	0		DAADMM
CCCCS(=O)(=O)NCC(=O)N1CCN(CC(=O)[O-])CC1	ZINC001595787448	982581182	/nfs/dbraw/zinc/58/11/82/982581182.db2.gz	KRMIMBSERMGIEF-UHFFFAOYSA-N	-1	1	321.399	-1.065	20	0		DAADMM
CCN1CCN(CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC1	ZINC001596431333	984101042	/nfs/dbraw/zinc/10/10/42/984101042.db2.gz	SVQYAYXKDFIRCY-QWRGUYRKSA-N	-1	1	314.386	-1.282	20	0		DAADMM
CCNC(=O)CN1CCN(CCC(=O)NCC(=O)[O-])CC1	ZINC001596461609	984172519	/nfs/dbraw/zinc/17/25/19/984172519.db2.gz	GGXUAMGIHRHQND-UHFFFAOYSA-N	-1	1	300.359	-1.669	20	0		DAADMM
CCNS(=O)(=O)[C@@H]1CCN(CCC(=O)NCC(=O)[O-])C1	ZINC001596495822	984240208	/nfs/dbraw/zinc/24/02/08/984240208.db2.gz	KBCFIYJNYAYGON-SECBINFHSA-N	-1	1	307.372	-1.409	20	0		DAADMM
CCOC(=O)CN(C)C(=O)CN1CCN(CC(=O)[O-])CC1	ZINC001596616110	984583341	/nfs/dbraw/zinc/58/33/41/984583341.db2.gz	OWMCTIBJGBQKBD-UHFFFAOYSA-N	-1	1	301.343	-1.290	20	0		DAADMM
CCOC(=O)CN(C)C(=O)CN1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001596616133	984583366	/nfs/dbraw/zinc/58/33/66/984583366.db2.gz	PPDVSLHSNMTNGM-ZJUUUORDSA-N	-1	1	302.327	-1.225	20	0		DAADMM
CCOC(=O)CN(C)C(=O)CN1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001596616130	984583477	/nfs/dbraw/zinc/58/34/77/984583477.db2.gz	PPDVSLHSNMTNGM-NXEZZACHSA-N	-1	1	302.327	-1.225	20	0		DAADMM
CC(=O)NCC(=O)NCC(=O)N1CCN(CC(=O)[O-])CC1	ZINC001589122090	985398001	/nfs/dbraw/zinc/39/80/01/985398001.db2.gz	FALLDEZYNBOQOG-UHFFFAOYSA-N	-1	1	300.315	-2.533	20	0		DAADMM
C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1	ZINC001589337261	986228510	/nfs/dbraw/zinc/22/85/10/986228510.db2.gz	QDCUCEPXFPVVRG-NXEZZACHSA-N	-1	1	321.399	-1.259	20	0		DAADMM
C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C)C[C@H](C(=O)[O-])C1	ZINC001589337263	986228783	/nfs/dbraw/zinc/22/87/83/986228783.db2.gz	QDCUCEPXFPVVRG-UWVGGRQHSA-N	-1	1	321.399	-1.259	20	0		DAADMM
CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC001597224399	987165253	/nfs/dbraw/zinc/16/52/53/987165253.db2.gz	VOINPXWZFLZALA-CBAPKCEASA-N	-1	1	318.355	-1.151	20	0		DAADMM
CC(C)(C)NC(=O)CNC(=O)CN1CCN(CC(=O)[O-])CC1	ZINC001589823679	988282279	/nfs/dbraw/zinc/28/22/79/988282279.db2.gz	NPNYNYZYLNXDNJ-UHFFFAOYSA-N	-1	1	314.386	-1.281	20	0		DAADMM
C[C@@H](O)[C@H](NS(=O)(=O)CCCN1CCN(C)CC1)C(=O)[O-]	ZINC001599845201	988919307	/nfs/dbraw/zinc/91/93/07/988919307.db2.gz	PZRJXSSSKIONFH-MNOVXSKESA-N	-1	1	323.415	-1.623	20	0		DAADMM
C[C@@H]1CN(C(=O)C(=O)N(C)Cc2nnc[nH]2)C[C@@H](C(=O)[O-])O1	ZINC001599847855	988963166	/nfs/dbraw/zinc/96/31/66/988963166.db2.gz	JKVZFYJTUJLDAZ-SFYZADRCSA-N	-1	1	311.298	-1.536	20	0		DAADMM
CN(CC(=O)N[C@](C)(CO)C(=O)[O-])c1ncnc2[nH]cnc21	ZINC001598386627	991608085	/nfs/dbraw/zinc/60/80/85/991608085.db2.gz	DTUFFIQWTMCLGX-GFCCVEGCSA-N	-1	1	308.298	-1.259	20	0		DAADMM
CS(=O)(=O)Nc1ccc(C(=O)N[C@H](CO)C(=O)[O-])cn1	ZINC001599759905	992105948	/nfs/dbraw/zinc/10/59/48/992105948.db2.gz	DMHUISWKDOWHET-SSDOTTSWSA-N	-1	1	303.296	-1.372	20	0		DAADMM
C[N@@H+](CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)CC(=O)[O-]	ZINC001598491207	992293826	/nfs/dbraw/zinc/29/38/26/992293826.db2.gz	TXZMEDUTZOAZKU-UHFFFAOYSA-N	-1	1	308.298	-1.796	20	0		DAADMM
CN(CCNC(=O)c1coc(CS(C)(=O)=O)n1)CC(=O)[O-]	ZINC001598492638	992320952	/nfs/dbraw/zinc/32/09/52/992320952.db2.gz	IPPSPHANCZJYCS-UHFFFAOYSA-N	-1	1	319.339	-1.035	20	0		DAADMM
CN1C[C@@H](C(=O)[O-])N(C(=O)C2CN([C@@H]3CCOC3)C2)CC1=O	ZINC001598563144	993110143	/nfs/dbraw/zinc/11/01/43/993110143.db2.gz	OPVGPPZLRGJNPK-MNOVXSKESA-N	-1	1	311.338	-1.539	20	0		DAADMM
CN1C[C@H](C(=O)[O-])N(C(=O)C2CN([C@H]3CCOC3)C2)CC1=O	ZINC001598563146	993110239	/nfs/dbraw/zinc/11/02/39/993110239.db2.gz	OPVGPPZLRGJNPK-WDEREUQCSA-N	-1	1	311.338	-1.539	20	0		DAADMM
CN(CC1CN(C)C1)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001598567327	993158432	/nfs/dbraw/zinc/15/84/32/993158432.db2.gz	RHTAONPPPIXBAA-MNOVXSKESA-N	-1	1	313.354	-1.700	20	0		DAADMM
CN1CC[C@@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)C1	ZINC001598579797	993324777	/nfs/dbraw/zinc/32/47/77/993324777.db2.gz	VVPJECYWXIWNKC-VDDIYKPWSA-N	-1	1	304.368	-1.058	20	0		DAADMM
CN1CCC(O)(CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1	ZINC001598585093	993370836	/nfs/dbraw/zinc/37/08/36/993370836.db2.gz	ANDRZPZMBPSLKL-UHFFFAOYSA-N	-1	1	318.355	-1.157	20	0		DAADMM
CN1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1ccnc(C(=O)[O-])n1	ZINC001598591970	993447407	/nfs/dbraw/zinc/44/74/07/993447407.db2.gz	BXTSCVPZZWDDMJ-UWVGGRQHSA-N	-1	1	323.353	-1.420	20	0		DAADMM
CN1CCC[C@@H]1C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-]	ZINC001598602520	993581060	/nfs/dbraw/zinc/58/10/60/993581060.db2.gz	BZSNZHJGEKGZCS-AEJSXWLSSA-N	-1	1	324.337	-1.314	20	0		DAADMM
CN1CCN(CCN(CC(=O)[O-])C(=O)c2cnncc2O)CC1	ZINC001598616687	993896412	/nfs/dbraw/zinc/89/64/12/993896412.db2.gz	JQTUKIGECNUNTF-UHFFFAOYSA-N	-1	1	323.353	-1.044	20	0		DAADMM
CN1CCN(CCN(CC(=O)[O-])C(=O)c2ccc(=O)[nH]n2)CC1	ZINC001598616833	993898878	/nfs/dbraw/zinc/89/88/78/993898878.db2.gz	PIQACTFCNPFTOM-UHFFFAOYSA-N	-1	1	323.353	-1.044	20	0		DAADMM
CN1CCN(CCN(CC(=O)[O-])S(=O)(=O)N2CCC2)CC1	ZINC001598617604	993919995	/nfs/dbraw/zinc/91/99/95/993919995.db2.gz	YHRUYQUWNYCBAW-UHFFFAOYSA-N	-1	1	320.415	-1.429	20	0		DAADMM
CN1CCN(CCN(CC(=O)[O-])C(=O)CCC(N)=O)CC1	ZINC001598617696	993922074	/nfs/dbraw/zinc/92/20/74/993922074.db2.gz	CDVZVUVSMOWGCP-UHFFFAOYSA-N	-1	1	300.359	-1.588	20	0		DAADMM
CN1CCN(CCN(CC(=O)[O-])C(=O)CCCC(N)=O)CC1	ZINC001598617650	993922533	/nfs/dbraw/zinc/92/25/33/993922533.db2.gz	AOTNECUUTGGPQN-UHFFFAOYSA-N	-1	1	314.386	-1.197	20	0		DAADMM
CN1CCN(CCCS(=O)(=O)NCCOCC(=O)[O-])CC1	ZINC001598617839	993924964	/nfs/dbraw/zinc/92/49/64/993924964.db2.gz	IPUAGTPOTLSOPB-UHFFFAOYSA-N	-1	1	323.415	-1.356	20	0		DAADMM
CNC(=O)NC(=O)CN(C)CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001598651180	994445142	/nfs/dbraw/zinc/44/51/42/994445142.db2.gz	CDRSWCOFDXSHGI-IUCAKERBSA-N	-1	1	314.342	-1.399	20	0		DAADMM
CNS(=O)(=O)CCN1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC001598671230	994760780	/nfs/dbraw/zinc/76/07/80/994760780.db2.gz	CHFVVFZSDOZZCE-IUCAKERBSA-N	-1	1	308.356	-1.126	20	0		DAADMM
COC(=O)[C@H](CC(=O)[O-])NC(=O)C1CN([C@H]2CCOC2)C1	ZINC001598695491	995130416	/nfs/dbraw/zinc/13/04/16/995130416.db2.gz	VCTISSIZXHQAPF-UWVGGRQHSA-N	-1	1	300.311	-1.160	20	0		DAADMM
COC(=O)[C@@]1(N2CCN(C[C@](C)(O)C(=O)[O-])CC2)CCOC1	ZINC001598720921	995474139	/nfs/dbraw/zinc/47/41/39/995474139.db2.gz	AMFNVQXBMFHKFS-UONOGXRCSA-N	-1	1	316.354	-1.228	20	0		DAADMM
COC(=O)C1(NC(=O)CNC(=O)CN)CCC(C(=O)[O-])CC1	ZINC001598721943	995489926	/nfs/dbraw/zinc/48/99/26/995489926.db2.gz	IPXLJDHXRCDDKJ-UHFFFAOYSA-N	-1	1	315.326	-1.636	20	0		DAADMM
COC(=O)C1CCC(NC(=O)CNC(=O)CN)(C(=O)[O-])CC1	ZINC001598784125	996013954	/nfs/dbraw/zinc/01/39/54/996013954.db2.gz	CZXOSQQDJSNNDI-UHFFFAOYSA-N	-1	1	315.326	-1.636	20	0		DAADMM
COC(=O)C[C@H](NC(=O)C1CN([C@H]2CCOC2)C1)C(=O)[O-]	ZINC001598837935	996501228	/nfs/dbraw/zinc/50/12/28/996501228.db2.gz	OZSDZZOZCRVUTN-UWVGGRQHSA-N	-1	1	300.311	-1.160	20	0		DAADMM
COC(=O)CC[C@@H](NC(=O)[C@@H]1CN2CCN1C[C@H]2C)C(=O)[O-]	ZINC001598856609	996642859	/nfs/dbraw/zinc/64/28/59/996642859.db2.gz	XRYWWHXYDXCNRT-MXWKQRLJSA-N	-1	1	313.354	-1.103	20	0		DAADMM
COC(=O)COCCNS(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001598864753	996702052	/nfs/dbraw/zinc/70/20/52/996702052.db2.gz	ATQBZQHOTIBJPM-UHFFFAOYSA-N	-1	1	308.268	-1.159	20	0		DAADMM
CO[C@@]1(C(=O)[O-])CCN(CC(=O)N2CCC(C(N)=O)CC2)C1	ZINC001599077510	996910480	/nfs/dbraw/zinc/91/04/80/996910480.db2.gz	YUFRKBWIUKGLBA-AWEZNQCLSA-N	-1	1	313.354	-1.114	20	0		DAADMM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CN2CCN1C[C@H]2C	ZINC001598889723	996968710	/nfs/dbraw/zinc/96/87/10/996968710.db2.gz	BKHKIGISNJGALC-MXWKQRLJSA-N	-1	1	313.354	-1.103	20	0		DAADMM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CN2CCN1C[C@H]2C	ZINC001598889719	996969453	/nfs/dbraw/zinc/96/94/53/996969453.db2.gz	BKHKIGISNJGALC-GMTAPVOTSA-N	-1	1	313.354	-1.103	20	0		DAADMM
COC[C@@]1(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CNCCO1	ZINC001599184960	997010374	/nfs/dbraw/zinc/01/03/74/997010374.db2.gz	UVEXMJGIICJRGZ-GBIKHYSHSA-N	-1	1	302.327	-1.308	20	0		DAADMM
COC[C@]1(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CNCCO1	ZINC001599185521	997018718	/nfs/dbraw/zinc/01/87/18/997018718.db2.gz	ZUJKSMDPFWPRAA-GWCFXTLKSA-N	-1	1	302.327	-1.307	20	0		DAADMM
COC[C@@]1(C(=O)N2CCO[C@H](CC(=O)[O-])C2)CNCCO1	ZINC001599185528	997019333	/nfs/dbraw/zinc/01/93/33/997019333.db2.gz	ZUJKSMDPFWPRAA-ZWNOBZJWSA-N	-1	1	302.327	-1.307	20	0		DAADMM
COC1(OC)CCN(CCc2cn(CC(=O)[O-])nn2)C[C@H]1O	ZINC001599093790	997241476	/nfs/dbraw/zinc/24/14/76/997241476.db2.gz	IRRUXBIBGVKRHE-LLVKDONJSA-N	-1	1	314.342	-1.039	20	0		DAADMM
COCc1nc(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)n[nH]1	ZINC001599306191	997318530	/nfs/dbraw/zinc/31/85/30/997318530.db2.gz	JHJRSOKNZSTSCF-SFYZADRCSA-N	-1	1	313.314	-1.072	20	0		DAADMM
COCc1nc(CNS(=O)(=O)N(C)CCC(=O)[O-])n[nH]1	ZINC001599306275	997320792	/nfs/dbraw/zinc/32/07/92/997320792.db2.gz	MRZHTBCXKFFWBP-UHFFFAOYSA-N	-1	1	307.332	-1.308	20	0		DAADMM
COC[C@@H]1CNCCN1C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC001599206565	997419069	/nfs/dbraw/zinc/41/90/69/997419069.db2.gz	BVSGQUKULMWSJY-IINYFYTJSA-N	-1	1	313.354	-1.244	20	0		DAADMM
COC[C@@H]1CNCCN1C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC001599206564	997419103	/nfs/dbraw/zinc/41/91/03/997419103.db2.gz	BVSGQUKULMWSJY-HZMBPMFUSA-N	-1	1	313.354	-1.244	20	0		DAADMM
COCC[C@H]1CNCCN1C(=O)C(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001599221636	997680506	/nfs/dbraw/zinc/68/05/06/997680506.db2.gz	XBWDVIMWASPPJI-DCAQKATOSA-N	-1	1	313.354	-1.340	20	0		DAADMM
COCCCS(=O)(=O)NCCN1CCC[C@@H](O)[C@H]1C(=O)[O-]	ZINC001599229087	997814848	/nfs/dbraw/zinc/81/48/48/997814848.db2.gz	ARPRSUCUJNIAAH-MNOVXSKESA-N	-1	1	324.399	-1.148	20	0		DAADMM
COC(OC)C(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	ZINC001599059745	999256644	/nfs/dbraw/zinc/25/66/44/999256644.db2.gz	NVGNHOWHFABUFG-UHFFFAOYSA-N	-1	1	303.359	-1.234	20	0		DAADMM
C[C@H]1CN(C(=O)[C@@H]2OCCN(C)C2=O)CCN1CCC(=O)[O-]	ZINC001594467064	999692970	/nfs/dbraw/zinc/69/29/70/999692970.db2.gz	XGTKFKBBAPTSII-CMPLNLGQSA-N	-1	1	313.354	-1.149	20	0		DAADMM
CO[C@H](C)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001191650869	781919230	/nfs/dbraw/zinc/91/92/30/781919230.db2.gz	AJTAEMSRZQKIEN-OPRDCNLKSA-N	-1	1	313.358	-1.805	20	0		DAADMM
CCC[C@H](O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000158699721	545663569	/nfs/dbraw/zinc/66/35/69/545663569.db2.gz	BNZRWBAHIMVRNH-QMMMGPOBSA-N	-1	1	305.356	-1.477	20	0		DAADMM
CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)C1=O	ZINC000331330064	545703151	/nfs/dbraw/zinc/70/31/51/545703151.db2.gz	HBDJKWUOPPXEJK-IUCAKERBSA-N	-1	1	319.383	-1.082	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@H]2CCCO2)c(=O)n(C)c1=O	ZINC000004337580	181099462	/nfs/dbraw/zinc/09/94/62/181099462.db2.gz	SXQXBXSBOQLFNK-MRVPVSSYSA-N	-1	1	303.340	-1.459	20	0		DAADMM
COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001192224005	781950360	/nfs/dbraw/zinc/95/03/60/781950360.db2.gz	ZZTLDAIRLOPGKU-OPRDCNLKSA-N	-1	1	314.342	-1.794	20	0		DAADMM
COC[C@@H](O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000071270080	372794632	/nfs/dbraw/zinc/79/46/32/372794632.db2.gz	DWLAORMHHWSSRK-ZETCQYMHSA-N	-1	1	307.328	-2.630	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@H]2CCOC2)c(=O)n(C)c1=O	ZINC000045743162	372804446	/nfs/dbraw/zinc/80/44/46/372804446.db2.gz	PLGLHTZOQFMLLO-MRVPVSSYSA-N	-1	1	303.340	-1.601	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C2(C)CCOCC2)c(=O)n(C)c1=O	ZINC000269767392	372808347	/nfs/dbraw/zinc/80/83/47/372808347.db2.gz	NKTFDPFZTQBJMI-UHFFFAOYSA-N	-1	1	317.367	-1.069	20	0		DAADMM
Cn1c(=O)c2cc(C(=O)NCc3nn[n-]n3)cnc2n(C)c1=O	ZINC000600503227	372842718	/nfs/dbraw/zinc/84/27/18/372842718.db2.gz	DECGJBUBOGYPKK-UHFFFAOYSA-N	-1	1	316.281	-1.925	20	0		DAADMM
CN(C)C(=O)CN1CCN(C(=O)CCCc2nn[n-]n2)CC1	ZINC000635122301	372876931	/nfs/dbraw/zinc/87/69/31/372876931.db2.gz	JDEHVBCUVFLVJJ-UHFFFAOYSA-N	-1	1	309.374	-1.245	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2CCCNC2=O)c(=O)n(C)c1=O	ZINC000051156879	372931757	/nfs/dbraw/zinc/93/17/57/372931757.db2.gz	JRYOLBAOSVQUJD-ZETCQYMHSA-N	-1	1	316.339	-2.359	20	0		DAADMM
CNC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1	ZINC000595327865	372997201	/nfs/dbraw/zinc/99/72/01/372997201.db2.gz	DJAGIGQFIJJFOR-ZETCQYMHSA-N	-1	1	320.323	-1.240	20	0		DAADMM
COC(=O)[C@@]1([N-]S(=O)(=O)N2CCCOCC2)CCOC1	ZINC000593561540	372982510	/nfs/dbraw/zinc/98/25/10/372982510.db2.gz	WEKDRROWCCRGFW-LLVKDONJSA-N	-1	1	308.356	-1.125	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]Cc2cocn2)c(=O)n(C)c1=O	ZINC000594041178	372987110	/nfs/dbraw/zinc/98/71/10/372987110.db2.gz	ZAVLMPYYCJCXLC-UHFFFAOYSA-N	-1	1	300.296	-1.450	20	0		DAADMM
CCOC(=O)c1c[n-]c(NC(=O)CNS(=O)(=O)NC)n1	ZINC000593901849	372988317	/nfs/dbraw/zinc/98/83/17/372988317.db2.gz	UNABMBCUGWKRKD-UHFFFAOYSA-N	-1	1	305.316	-1.421	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)[N-]C[C@]2(O)CCN(C)C2)on1	ZINC000599276694	373039097	/nfs/dbraw/zinc/03/90/97/373039097.db2.gz	ANOFEAAMPJRXSX-LLVKDONJSA-N	-1	1	319.339	-1.194	20	0		DAADMM
CN1CC[N@@H+](C)C[C@H]1CNC(=O)CNC(=O)c1ncccc1O	ZINC000337914959	373112048	/nfs/dbraw/zinc/11/20/48/373112048.db2.gz	STNOMLGGYUBACQ-LLVKDONJSA-N	-1	1	321.381	-1.121	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCOCC2CC2)c(=O)n(C)c1=O	ZINC000264464872	373160300	/nfs/dbraw/zinc/16/03/00/373160300.db2.gz	HPXFEHAFYUBIFQ-UHFFFAOYSA-N	-1	1	317.367	-1.211	20	0		DAADMM
COC(=O)c1ccc(S(=O)(=O)[N-]CCOCC(N)=O)o1	ZINC000268549081	373166005	/nfs/dbraw/zinc/16/60/05/373166005.db2.gz	MRGUJMMMSKLBQH-UHFFFAOYSA-N	-1	1	306.296	-1.154	20	0		DAADMM
CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000269756040	373171238	/nfs/dbraw/zinc/17/12/38/373171238.db2.gz	IQKNLXUPZFHFDG-RKDXNWHRSA-N	-1	1	319.383	-1.231	20	0		DAADMM
CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000276040681	373182446	/nfs/dbraw/zinc/18/24/46/373182446.db2.gz	FZWXOPMIZDESEW-YUMQZZPRSA-N	-1	1	305.356	-1.214	20	0		DAADMM
C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000277604554	373183542	/nfs/dbraw/zinc/18/35/42/373183542.db2.gz	AIPXSFQMSOLWSO-DTWKUNHWSA-N	-1	1	317.367	-1.213	20	0		DAADMM
CCS(=O)(=O)NCC[N-]S(=O)(=O)c1c(C)onc1N	ZINC000281090785	373199093	/nfs/dbraw/zinc/19/90/93/373199093.db2.gz	DDFMIQJRTJVVHO-UHFFFAOYSA-N	-1	1	312.373	-1.217	20	0		DAADMM
CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)CCCN1CCOCC1	ZINC000613273532	373307571	/nfs/dbraw/zinc/30/75/71/373307571.db2.gz	BRNMWVUIWXZQMJ-LLVKDONJSA-N	-1	1	324.399	-1.448	20	0		DAADMM
COC(=O)c1cn(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)nn1	ZINC000539326629	373492817	/nfs/dbraw/zinc/49/28/17/373492817.db2.gz	OUEVLZLYQGAOLU-QMMMGPOBSA-N	-1	1	320.313	-1.016	20	0		DAADMM
C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000269806892	373536373	/nfs/dbraw/zinc/53/63/73/373536373.db2.gz	UAFBOMKUKIQOEW-DTWKUNHWSA-N	-1	1	319.383	-1.231	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@H](O)C(C)(C)C)c(=O)n(C)c1=O	ZINC000269814412	373538071	/nfs/dbraw/zinc/53/80/71/373538071.db2.gz	VCJJHXPJZZMURP-VIFPVBQESA-N	-1	1	319.383	-1.231	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@H](O)C2CCC2)c(=O)n(C)c1=O	ZINC000316055181	373545686	/nfs/dbraw/zinc/54/56/86/373545686.db2.gz	OASQKOIWFXYYPP-VIFPVBQESA-N	-1	1	317.367	-1.477	20	0		DAADMM
CNS(=O)(=O)NCC(=O)N1CCC(c2n[n-]c(=O)o2)CC1	ZINC000572656897	373548574	/nfs/dbraw/zinc/54/85/74/373548574.db2.gz	XRLNQCPHONDVDN-UHFFFAOYSA-N	-1	1	319.343	-1.465	20	0		DAADMM
COC(=O)C(C)(C)CS(=O)(=O)[N-][C@]1(C(N)=O)CCOC1	ZINC000572780178	373550651	/nfs/dbraw/zinc/55/06/51/373550651.db2.gz	CJKAGBAUGHVMBI-LLVKDONJSA-N	-1	1	308.356	-1.251	20	0		DAADMM
COC(=O)C[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000313909522	373651821	/nfs/dbraw/zinc/65/18/21/373651821.db2.gz	ZXOWCQAQFUHNPA-ZETCQYMHSA-N	-1	1	319.339	-1.686	20	0		DAADMM
CC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H](C)O	ZINC000386794088	373608356	/nfs/dbraw/zinc/60/83/56/373608356.db2.gz	AORIWCXJCONLFV-SFYZADRCSA-N	-1	1	305.356	-1.478	20	0		DAADMM
CC(=O)NCCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000044789692	373616484	/nfs/dbraw/zinc/61/64/84/373616484.db2.gz	QZYQXPPFQQPLMA-UHFFFAOYSA-N	-1	1	318.355	-2.112	20	0		DAADMM
CCOC(=O)CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000041684612	183216709	/nfs/dbraw/zinc/21/67/09/183216709.db2.gz	YNDHFOGWTCSXLL-UHFFFAOYSA-N	-1	1	319.339	-1.685	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C2)nc1=O	ZINC001192571594	781969418	/nfs/dbraw/zinc/96/94/18/781969418.db2.gz	PNWSXLFTRYOZRX-RKDXNWHRSA-N	-1	1	313.358	-2.069	20	0		DAADMM
CC(C)[C@@H](O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001192657370	781976141	/nfs/dbraw/zinc/97/61/41/781976141.db2.gz	KPIQOGBCRJMDFQ-FXPVBKGRSA-N	-1	1	313.358	-2.213	20	0		DAADMM
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CO)C(=O)OC)o1	ZINC000271727538	129950631	/nfs/dbraw/zinc/95/06/31/129950631.db2.gz	MIRIPGPKUOHYGS-LURJTMIESA-N	-1	1	307.280	-1.122	20	0		DAADMM
COC[C@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)OC	ZINC000272643900	130049705	/nfs/dbraw/zinc/04/97/05/130049705.db2.gz	DDVOYSFSBKOKSX-QMMMGPOBSA-N	-1	1	321.355	-1.976	20	0		DAADMM
CC(C)OCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000273377222	130114168	/nfs/dbraw/zinc/11/41/68/130114168.db2.gz	AFPLRTCYPMAKAN-UHFFFAOYSA-N	-1	1	305.356	-1.213	20	0		DAADMM
CCN(C)C(=O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000274764882	130259083	/nfs/dbraw/zinc/25/90/83/130259083.db2.gz	ULMXPFHZHAXSOO-UHFFFAOYSA-N	-1	1	318.355	-2.159	20	0		DAADMM
COC(=O)[C@H](CF)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000287468819	131282437	/nfs/dbraw/zinc/28/24/37/131282437.db2.gz	PNUPDCKWLUZYMV-LURJTMIESA-N	-1	1	323.302	-2.127	20	0		DAADMM
Cn1[n-]cc2/c(=N\C(=O)C(=O)N3CCN(C)C(=O)C3)ccnc1-2	ZINC000288663494	131334759	/nfs/dbraw/zinc/33/47/59/131334759.db2.gz	GQZISJKPZSGVLQ-YVLHZVERSA-N	-1	1	316.321	-1.419	20	0		DAADMM
COC1(CS(=O)(=O)[N-][C@H]2CC(=O)N(C)C2=O)CCOCC1	ZINC000651691328	409378163	/nfs/dbraw/zinc/37/81/63/409378163.db2.gz	MHVIIJQSWUQJFR-VIFPVBQESA-N	-1	1	320.367	-1.141	20	0		DAADMM
C[C@@H](CCO)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000097444418	409389404	/nfs/dbraw/zinc/38/94/04/409389404.db2.gz	CSZUVDOPRRKOGN-QMMMGPOBSA-N	-1	1	305.356	-1.619	20	0		DAADMM
CNC(=O)NC1CN(C(=O)CNC(=O)c2ncccc2[O-])C1	ZINC000338175834	409389439	/nfs/dbraw/zinc/38/94/39/409389439.db2.gz	WVMKWUAFVAJPOH-UHFFFAOYSA-N	-1	1	307.310	-1.343	20	0		DAADMM
CC(C)[C@H](CCO)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000228609688	409427106	/nfs/dbraw/zinc/42/71/06/409427106.db2.gz	ZMPBPVVEMFTIRZ-VIFPVBQESA-N	-1	1	319.383	-1.231	20	0		DAADMM
CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000352543550	409467996	/nfs/dbraw/zinc/46/79/96/409467996.db2.gz	GMLLGFWKKQJBOX-SECBINFHSA-N	-1	1	303.388	-1.036	20	0		DAADMM
COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H](O)C(=O)OC)c1	ZINC000352070076	409464979	/nfs/dbraw/zinc/46/49/79/409464979.db2.gz	QNXXIWGWOUMCDI-SSDOTTSWSA-N	-1	1	307.280	-1.122	20	0		DAADMM
COCC[C@H]([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)C(=O)OC	ZINC000352593353	409471665	/nfs/dbraw/zinc/47/16/65/409471665.db2.gz	PUPVESALDCDFIN-IUCAKERBSA-N	-1	1	310.372	-1.039	20	0		DAADMM
CCC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(N)=O	ZINC000352502155	409468837	/nfs/dbraw/zinc/46/88/37/409468837.db2.gz	ZLYRTLGJIRBBDQ-SSDOTTSWSA-N	-1	1	318.355	-1.984	20	0		DAADMM
CCOC(=O)[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)[N-]C)o1	ZINC000355752080	409482358	/nfs/dbraw/zinc/48/23/58/409482358.db2.gz	NTSVMMLDRLEUAM-SSDOTTSWSA-N	-1	1	320.323	-1.159	20	0		DAADMM
CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)N(C)CCC(=O)OC	ZINC000351977300	409627787	/nfs/dbraw/zinc/62/77/87/409627787.db2.gz	VVSXQHSLBTZKBM-MRVPVSSYSA-N	-1	1	312.344	-1.760	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N1CCN2C(=O)N=NC2C1	ZINC000438449883	409579682	/nfs/dbraw/zinc/57/96/82/409579682.db2.gz	NJJUTMRESFVNCB-UHFFFAOYSA-N	-1	1	318.293	-1.144	20	0		DAADMM
CC(C)[C@H](O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000158851927	409590922	/nfs/dbraw/zinc/59/09/22/409590922.db2.gz	OFDPXHCGBUGZIO-MRVPVSSYSA-N	-1	1	305.356	-1.621	20	0		DAADMM
CC(C)[C@H](CO)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000344819405	409662448	/nfs/dbraw/zinc/66/24/48/409662448.db2.gz	CUJHNXYGNCEPPE-VIFPVBQESA-N	-1	1	319.383	-1.373	20	0		DAADMM
CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000657100031	409677078	/nfs/dbraw/zinc/67/70/78/409677078.db2.gz	NKBHXSAZVAHUJG-KXUCPTDWSA-N	-1	1	313.397	-1.103	20	0		DAADMM
CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)[C@H]1CCO[C@@H]1C	ZINC000657101598	409678444	/nfs/dbraw/zinc/67/84/44/409678444.db2.gz	UCJMJTUGVIDMIE-RGOKHQFPSA-N	-1	1	313.397	-1.105	20	0		DAADMM
CO[C@H](CS(=O)(=O)[N-][C@@H]1CC(=O)N(C)C1=O)[C@@H]1CCOC1	ZINC000656983753	409679188	/nfs/dbraw/zinc/67/91/88/409679188.db2.gz	UDNLFFLRCHVPHV-OPRDCNLKSA-N	-1	1	320.367	-1.285	20	0		DAADMM
NC(=O)C([N-]S(=O)(=O)Cc1noc2ccccc21)C(N)=O	ZINC001194110599	782027452	/nfs/dbraw/zinc/02/74/52/782027452.db2.gz	QNHJDXKZUBLWGE-UHFFFAOYSA-N	-1	1	312.307	-1.414	20	0		DAADMM
CC(C)(C)OC(=O)NN1C[C@H](C(=O)[N-]OCC(N)=O)CC1=O	ZINC000494588001	263220888	/nfs/dbraw/zinc/22/08/88/263220888.db2.gz	AXICPYCYUBJILX-SSDOTTSWSA-N	-1	1	316.314	-1.192	20	0		DAADMM
CNC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)co1	ZINC000357138296	263226409	/nfs/dbraw/zinc/22/64/09/263226409.db2.gz	BRHCSOGNOUEFHZ-ZETCQYMHSA-N	-1	1	306.296	-1.549	20	0		DAADMM
CNC(=O)[C@@H](CO)[N-]S(=O)(=O)CC1(C(=O)OC)CCCC1	ZINC000349535173	263229201	/nfs/dbraw/zinc/22/92/01/263229201.db2.gz	KKQPLPISTOXLHW-SECBINFHSA-N	-1	1	322.383	-1.254	20	0		DAADMM
Cc1noc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1	ZINC000428089716	263236776	/nfs/dbraw/zinc/23/67/76/263236776.db2.gz	ITCJJIJQMVDSNE-UHFFFAOYSA-N	-1	1	315.311	-1.746	20	0		DAADMM
CN(CC(=O)NC[C@@](C)(O)C(=O)[O-])c1ncnc2[nH]cnc21	ZINC000262447738	263241518	/nfs/dbraw/zinc/24/15/18/263241518.db2.gz	VMYBZTTYEGAOSZ-GFCCVEGCSA-N	-1	1	308.298	-1.259	20	0		DAADMM
Cn1ccc(NCCN=c2ccc(C(=O)NCCO)n[n-]2)n1	ZINC000514934309	263242822	/nfs/dbraw/zinc/24/28/22/263242822.db2.gz	OIHPTLKVWDOUNI-UHFFFAOYSA-N	-1	1	305.342	-1.700	20	0		DAADMM
NC(=O)C[C@@H]1COCCN1C(=O)CNC(=O)c1ncccc1[O-]	ZINC000457064958	263246655	/nfs/dbraw/zinc/24/66/55/263246655.db2.gz	RDCUMWVGHRXLGB-SECBINFHSA-N	-1	1	322.321	-1.380	20	0		DAADMM
Cn1ccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1	ZINC000345545505	263247011	/nfs/dbraw/zinc/24/70/11/263247011.db2.gz	PQAMLEOSUOCKOO-UHFFFAOYSA-N	-1	1	313.339	-1.704	20	0		DAADMM
COC(=O)CC1(CS(=O)(=O)[N-][C@@H](CO)C(=O)OC)CC1	ZINC000342344863	263249098	/nfs/dbraw/zinc/24/90/98/263249098.db2.gz	KHACLRCLXXTSOT-QMMMGPOBSA-N	-1	1	309.340	-1.217	20	0		DAADMM
C[C@@H]1OCCN(C(=O)CNC(=O)c2ncccc2[O-])[C@@H]1C(N)=O	ZINC000348828953	263251967	/nfs/dbraw/zinc/25/19/67/263251967.db2.gz	RVEYWOIRHZAKKV-UFBFGSQYSA-N	-1	1	322.321	-1.382	20	0		DAADMM
CNS(=O)(=O)CCNC(=O)c1c[n-]c2c(cnn2C)c1=O	ZINC000440162276	263256984	/nfs/dbraw/zinc/25/69/84/263256984.db2.gz	PWEPHFQWKFVEOD-UHFFFAOYSA-N	-1	1	313.339	-1.047	20	0		DAADMM
C[C@H](O)CCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000228067680	263258234	/nfs/dbraw/zinc/25/82/34/263258234.db2.gz	ZBTMHINXHUXQRP-QMMMGPOBSA-N	-1	1	305.356	-1.477	20	0		DAADMM
C[C@H]1CC[NH2+]C[C@@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000193418519	263260346	/nfs/dbraw/zinc/26/03/46/263260346.db2.gz	BRTHKARBTRJGOA-IUCAKERBSA-N	-1	1	316.383	-1.640	20	0		DAADMM
CCC[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)c1nn[n-]n1	ZINC000516298905	263263671	/nfs/dbraw/zinc/26/36/71/263263671.db2.gz	HKGPFIMCYQJCSP-QMMMGPOBSA-N	-1	1	319.391	-1.105	20	0		DAADMM
NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)CNC(=O)c1ncccc1[O-]	ZINC000347232667	263274471	/nfs/dbraw/zinc/27/44/71/263274471.db2.gz	SJOSUAFGVUAYMK-SFYZADRCSA-N	-1	1	310.285	-1.059	20	0		DAADMM
COC(=O)CCN(C)S(=O)(=O)[N-][C@@H](C(=O)OC)[C@H](C)O	ZINC000444185004	263288597	/nfs/dbraw/zinc/28/85/97/263288597.db2.gz	BHOMISXEROZAKK-IONNQARKSA-N	-1	1	312.344	-1.762	20	0		DAADMM
Cc1nc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)no1	ZINC000360643375	263289446	/nfs/dbraw/zinc/28/94/46/263289446.db2.gz	BBDYLVGOMHENAN-UHFFFAOYSA-N	-1	1	315.311	-1.746	20	0		DAADMM
COCCCS(=O)(=O)NCC(=O)NC(C)(C)c1nn[n-]n1	ZINC000433178552	263290264	/nfs/dbraw/zinc/29/02/64/263290264.db2.gz	CLCRQVZLEZYDAK-UHFFFAOYSA-N	-1	1	320.375	-1.493	20	0		DAADMM
CC(C)[C@H](NS(C)(=O)=O)C(=O)NC1(c2nn[n-]n2)CC1	ZINC000430314097	263292014	/nfs/dbraw/zinc/29/20/14/263292014.db2.gz	IRTLLKFXQXUTQD-ZETCQYMHSA-N	-1	1	302.360	-1.121	20	0		DAADMM
NC(=O)Cn1cc(NC(=O)CNC(=O)c2ncccc2[O-])cn1	ZINC000343127894	263298510	/nfs/dbraw/zinc/29/85/10/263298510.db2.gz	MGSADEIIKDSIKS-UHFFFAOYSA-N	-1	1	318.293	-1.163	20	0		DAADMM
CC[C@H](O)CCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000398541572	263301573	/nfs/dbraw/zinc/30/15/73/263301573.db2.gz	CMUVLKKELLDJJB-VIFPVBQESA-N	-1	1	319.383	-1.087	20	0		DAADMM
CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000313935320	263305366	/nfs/dbraw/zinc/30/53/66/263305366.db2.gz	YXMQGTISWPBUJE-GFCCVEGCSA-N	-1	1	319.383	-1.231	20	0		DAADMM
Cc1ocnc1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000328927203	263311564	/nfs/dbraw/zinc/31/15/64/263311564.db2.gz	WZBXSVWFPPHISW-UHFFFAOYSA-N	-1	1	314.323	-1.141	20	0		DAADMM
Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CNC(=O)C[NH3+]	ZINC000347674562	263315647	/nfs/dbraw/zinc/31/56/47/263315647.db2.gz	MQKJIXPTCRNALT-UHFFFAOYSA-N	-1	1	306.326	-1.257	20	0		DAADMM
COC(=O)[C@@H]([N-]S(=O)(=O)N1CCOC(C)(C)C1)[C@H](C)O	ZINC000444196563	263316672	/nfs/dbraw/zinc/31/66/72/263316672.db2.gz	WGDBIJILUQYPTC-IUCAKERBSA-N	-1	1	310.372	-1.146	20	0		DAADMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](CO)COC	ZINC000233725631	263324947	/nfs/dbraw/zinc/32/49/47/263324947.db2.gz	RCJGNSURCGXTQQ-ZETCQYMHSA-N	-1	1	307.328	-1.128	20	0		DAADMM
COC(=O)c1c[n-]c(S(=O)(=O)CC(=O)N2CCOCC2)n1	ZINC000350222515	263326470	/nfs/dbraw/zinc/32/64/70/263326470.db2.gz	QDLXWEHPJGKHGJ-UHFFFAOYSA-N	-1	1	317.323	-1.171	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CCCF)C2)nc1=O	ZINC001195373483	782063939	/nfs/dbraw/zinc/06/39/39/782063939.db2.gz	HYHKYTWVEWVXGA-RKDXNWHRSA-N	-1	1	301.322	-1.481	20	0		DAADMM
CCOC(=O)CNC(=S)Nc1c(O)[nH]c(=O)[n-]c1=S	ZINC001195578453	782071431	/nfs/dbraw/zinc/07/14/31/782071431.db2.gz	JPNCAKCSNZXASD-YFKPBYRVSA-N	-1	1	304.353	-1.451	20	0		DAADMM
O=C(c1c[nH]c(=S)[n-]c1=O)N1CC(N2CCNC(=O)C2)C1	ZINC001196016053	782088400	/nfs/dbraw/zinc/08/84/00/782088400.db2.gz	MLSBOLDVPZENFF-UHFFFAOYSA-N	-1	1	309.351	-1.273	20	0		DAADMM
COCCCS(=O)(=O)[N-][C@@H](CN1CCOCC1)C(=O)OC	ZINC000559797715	332282305	/nfs/dbraw/zinc/28/23/05/332282305.db2.gz	QULGUTAIEKYWON-NSHDSACASA-N	-1	1	324.399	-1.184	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(C)C2=O)o1	ZINC000563498984	333612920	/nfs/dbraw/zinc/61/29/20/333612920.db2.gz	HUNVGMIKDLEALM-ZCFIWIBFSA-N	-1	1	315.307	-1.325	20	0		DAADMM
C[C@H](CCO)CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000397734403	337283523	/nfs/dbraw/zinc/28/35/23/337283523.db2.gz	GZTNFASPWKHULQ-VIFPVBQESA-N	-1	1	319.383	-1.229	20	0		DAADMM
CCOCCN1C[C@@H](O)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001198162234	782149355	/nfs/dbraw/zinc/14/93/55/782149355.db2.gz	UQWZSOGDVAAIDZ-RKDXNWHRSA-N	-1	1	315.330	-2.113	20	0		DAADMM
CNS(=O)(=O)NCC(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000339434253	522229397	/nfs/dbraw/zinc/22/93/97/522229397.db2.gz	SERMKLMMXMXTDE-UHFFFAOYSA-N	-1	1	302.238	-1.184	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@]2(C)CCOC2)c(=O)n(C)c1=O	ZINC000354477411	527288389	/nfs/dbraw/zinc/28/83/89/527288389.db2.gz	AAQYJMAWSVVYOH-LBPRGKRZSA-N	-1	1	317.367	-1.211	20	0		DAADMM
CCC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(N)=O	ZINC000285525062	535707232	/nfs/dbraw/zinc/70/72/32/535707232.db2.gz	ZLYRTLGJIRBBDQ-ZETCQYMHSA-N	-1	1	318.355	-1.984	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N1CCN2C(=O)NC[C@@H]2C1	ZINC000343792506	545707850	/nfs/dbraw/zinc/70/78/50/545707850.db2.gz	CNCSCIWVNPODHO-SECBINFHSA-N	-1	1	319.321	-1.247	20	0		DAADMM
NC(=O)[C@@H]1CC[C@@H](CNC(=O)CNC(=O)c2ncccc2[O-])O1	ZINC000343880351	545708817	/nfs/dbraw/zinc/70/88/17/545708817.db2.gz	YCONBXHDRZMVPE-WPRPVWTQSA-N	-1	1	322.321	-1.334	20	0		DAADMM
NC(=O)[C@H]1CC[C@@H](CNC(=O)CNC(=O)c2ncccc2[O-])O1	ZINC000343880349	545710022	/nfs/dbraw/zinc/71/00/22/545710022.db2.gz	YCONBXHDRZMVPE-WCBMZHEXSA-N	-1	1	322.321	-1.334	20	0		DAADMM
CCS(=O)(=O)NCC(=O)N1CCC[C@H](c2nn[n-]n2)C1	ZINC000677793724	545874855	/nfs/dbraw/zinc/87/48/55/545874855.db2.gz	ZVLNYYFHZXWZRA-QMMMGPOBSA-N	-1	1	302.360	-1.155	20	0		DAADMM
CC(C)[C@@H](O)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000735735809	598971554	/nfs/dbraw/zinc/97/15/54/598971554.db2.gz	VQCYJHKKYCDEBH-ZETCQYMHSA-N	-1	1	309.330	-1.307	20	0		DAADMM
C[C@@H](CO)[C@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736036676	598971597	/nfs/dbraw/zinc/97/15/97/598971597.db2.gz	GDIMOWMZHBPZCI-BQBZGAKWSA-N	-1	1	309.330	-1.307	20	0		DAADMM
CC[C@@H](CCO)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736350337	598973862	/nfs/dbraw/zinc/97/38/62/598973862.db2.gz	LYLKONDJYIWHGG-ZETCQYMHSA-N	-1	1	309.330	-1.163	20	0		DAADMM
NS(=O)(=O)CCCNC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000737764613	599024048	/nfs/dbraw/zinc/02/40/48/599024048.db2.gz	JSNXHOZODFXDPW-UHFFFAOYSA-N	-1	1	311.327	-1.330	20	0		DAADMM
NS(=O)(=O)CCCNC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000737764613	599024049	/nfs/dbraw/zinc/02/40/49/599024049.db2.gz	JSNXHOZODFXDPW-UHFFFAOYSA-N	-1	1	311.327	-1.330	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](CCO)C2CC2)n(C)c1=O	ZINC000737598063	599045317	/nfs/dbraw/zinc/04/53/17/599045317.db2.gz	XGLQVWHNQMELKF-MRVPVSSYSA-N	-1	1	321.341	-1.163	20	0		DAADMM
CCN(CCCO)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000821214052	599102461	/nfs/dbraw/zinc/10/24/61/599102461.db2.gz	GRLQZPGJYXPOQR-UHFFFAOYSA-N	-1	1	309.330	-1.527	20	0		DAADMM
Nc1nc(N)nc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)n1	ZINC000737776946	599135033	/nfs/dbraw/zinc/13/50/33/599135033.db2.gz	UJJGIVCDCALMFP-UHFFFAOYSA-N	-1	1	314.269	-1.032	20	0		DAADMM
Nc1nc(N)nc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)n1	ZINC000737776946	599135034	/nfs/dbraw/zinc/13/50/34/599135034.db2.gz	UJJGIVCDCALMFP-UHFFFAOYSA-N	-1	1	314.269	-1.032	20	0		DAADMM
CS(=O)(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1	ZINC000737169291	599206032	/nfs/dbraw/zinc/20/60/32/599206032.db2.gz	RQHLZMQVKWAURI-ZETCQYMHSA-N	-1	1	310.343	-1.215	20	0		DAADMM
CS(=O)(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1	ZINC000737169291	599206034	/nfs/dbraw/zinc/20/60/34/599206034.db2.gz	RQHLZMQVKWAURI-ZETCQYMHSA-N	-1	1	310.343	-1.215	20	0		DAADMM
C[S@](=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000737173410	599211046	/nfs/dbraw/zinc/21/10/46/599211046.db2.gz	ODMKMAYQFSFYST-IBGZPJMESA-N	-1	1	316.368	-1.082	20	0		DAADMM
C[S@](=O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000737173410	599211049	/nfs/dbraw/zinc/21/10/49/599211049.db2.gz	ODMKMAYQFSFYST-IBGZPJMESA-N	-1	1	316.368	-1.082	20	0		DAADMM
Cn1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c(=O)n(C)c1=O	ZINC000737604700	599215369	/nfs/dbraw/zinc/21/53/69/599215369.db2.gz	JZKDQUVILGAFLH-UHFFFAOYSA-N	-1	1	317.269	-2.269	20	0		DAADMM
CN(C)C(=O)CN1CCN(C(=O)CN(C)CCC(=O)[O-])CC1	ZINC000737991541	596996804	/nfs/dbraw/zinc/99/68/04/596996804.db2.gz	PTLPLEBODXQFEF-UHFFFAOYSA-N	-1	1	314.386	-1.375	20	0		DAADMM
CC(=O)NCCN(CCN1CCCS1(=O)=O)[C@H](C)C(=O)[O-]	ZINC000819770407	597677930	/nfs/dbraw/zinc/67/79/30/597677930.db2.gz	QVZGJIDKBMETQI-SNVBAGLBSA-N	-1	1	321.399	-1.067	20	0		DAADMM
CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)NCC(=O)[O-])C1	ZINC000820025179	597762460	/nfs/dbraw/zinc/76/24/60/597762460.db2.gz	ZBMFRJFCZPLJMP-SECBINFHSA-N	-1	1	302.331	-1.205	20	0		DAADMM
NS(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1	ZINC000826394265	608395117	/nfs/dbraw/zinc/39/51/17/608395117.db2.gz	DBRRUPDVZSEBNT-UHFFFAOYSA-N	-1	1	311.331	-2.018	20	0		DAADMM
NS(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1	ZINC000826394265	608395118	/nfs/dbraw/zinc/39/51/18/608395118.db2.gz	DBRRUPDVZSEBNT-UHFFFAOYSA-N	-1	1	311.331	-2.018	20	0		DAADMM
CN(C)C(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000736747107	598260554	/nfs/dbraw/zinc/26/05/54/598260554.db2.gz	OOBQBRUDFCBCQL-UHFFFAOYSA-N	-1	1	311.327	-1.372	20	0		DAADMM
CN(C)C(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000736747107	598260556	/nfs/dbraw/zinc/26/05/56/598260556.db2.gz	OOBQBRUDFCBCQL-UHFFFAOYSA-N	-1	1	311.327	-1.372	20	0		DAADMM
O=C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1	ZINC000738303129	598262198	/nfs/dbraw/zinc/26/21/98/598262198.db2.gz	DVKVRGPYBJFPIG-UHFFFAOYSA-N	-1	1	323.338	-1.228	20	0		DAADMM
O=C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1	ZINC000738303129	598262199	/nfs/dbraw/zinc/26/21/99/598262199.db2.gz	DVKVRGPYBJFPIG-UHFFFAOYSA-N	-1	1	323.338	-1.228	20	0		DAADMM
CN(C)C(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)CC1	ZINC000736748577	598337459	/nfs/dbraw/zinc/33/74/59/598337459.db2.gz	ZXUXXXRIYBVUJB-UHFFFAOYSA-N	-1	1	317.357	-1.133	20	0		DAADMM
CN(C)C(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)CC1	ZINC000736748577	598337460	/nfs/dbraw/zinc/33/74/60/598337460.db2.gz	ZXUXXXRIYBVUJB-UHFFFAOYSA-N	-1	1	317.357	-1.133	20	0		DAADMM
CNC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)CC1	ZINC000736873364	598339629	/nfs/dbraw/zinc/33/96/29/598339629.db2.gz	IWJVLJXDSCTGPE-UHFFFAOYSA-N	-1	1	303.330	-1.475	20	0		DAADMM
CNC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)CC1	ZINC000736873364	598339631	/nfs/dbraw/zinc/33/96/31/598339631.db2.gz	IWJVLJXDSCTGPE-UHFFFAOYSA-N	-1	1	303.330	-1.475	20	0		DAADMM
CN1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1=O	ZINC000736847634	598354166	/nfs/dbraw/zinc/35/41/66/598354166.db2.gz	VZUMXIINDPODLS-SSDOTTSWSA-N	-1	1	323.338	-1.229	20	0		DAADMM
CN1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1=O	ZINC000736847634	598354168	/nfs/dbraw/zinc/35/41/68/598354168.db2.gz	VZUMXIINDPODLS-SSDOTTSWSA-N	-1	1	323.338	-1.229	20	0		DAADMM
CN(C[C@H]1CCCO1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736791339	598374068	/nfs/dbraw/zinc/37/40/68/598374068.db2.gz	LOBJCYIWOLZJPH-MRVPVSSYSA-N	-1	1	321.341	-1.121	20	0		DAADMM
NC(=O)CN1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1	ZINC000737752016	598387297	/nfs/dbraw/zinc/38/72/97/598387297.db2.gz	CUSLCYBEQAOFSX-UHFFFAOYSA-N	-1	1	303.330	-1.346	20	0		DAADMM
C[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCCO1	ZINC000736291326	598457411	/nfs/dbraw/zinc/45/74/11/598457411.db2.gz	VOIGEQCBELGVPE-MRVPVSSYSA-N	-1	1	321.341	-1.121	20	0		DAADMM
CO[C@H]1CCCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1	ZINC000736963168	598553600	/nfs/dbraw/zinc/55/36/00/598553600.db2.gz	SSPPKKRHDMODIZ-QMMMGPOBSA-N	-1	1	321.341	-1.121	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H](O)C2CC2)n(C)c1=O	ZINC000737597155	598673184	/nfs/dbraw/zinc/67/31/84/598673184.db2.gz	QMCIRSQYPOFPSN-ZETCQYMHSA-N	-1	1	307.314	-1.553	20	0		DAADMM
CN(C)c1nc(N)nc(Cn2cccc(-c3nn[n-]n3)c2=O)n1	ZINC000736779984	598676882	/nfs/dbraw/zinc/67/68/82/598676882.db2.gz	REPLHKVPDKSFJI-UHFFFAOYSA-N	-1	1	314.313	-1.090	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NCC2(C)COC2)n(C)c1=O	ZINC000737597130	598795866	/nfs/dbraw/zinc/79/58/66/598795866.db2.gz	QEOOJNNJAAEATL-UHFFFAOYSA-N	-1	1	307.314	-1.288	20	0		DAADMM
CN(c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@@H]1CCOC1	ZINC000736841216	598816466	/nfs/dbraw/zinc/81/64/66/598816466.db2.gz	AIBUKXMLZFUGIC-SSDOTTSWSA-N	-1	1	307.314	-1.511	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H]2CO)n(C)c1=O	ZINC000737597804	598817296	/nfs/dbraw/zinc/81/72/96/598817296.db2.gz	UZSGVLKSQZWTDX-SSDOTTSWSA-N	-1	1	307.314	-1.775	20	0		DAADMM
CCn1cc(-c2nn[n-]n2)c(=O)n(CCS(N)(=O)=O)c1=O	ZINC000736714184	599339377	/nfs/dbraw/zinc/33/93/77/599339377.db2.gz	PEABRIWNGWIFQV-UHFFFAOYSA-N	-1	1	315.315	-2.502	20	0		DAADMM
CN(CCCNC(=O)CNC(C)(C)C(=O)[O-])S(C)(=O)=O	ZINC000737439438	599924790	/nfs/dbraw/zinc/92/47/90/599924790.db2.gz	PJBAUBIEWODCEX-UHFFFAOYSA-N	-1	1	309.388	-1.163	20	0		DAADMM
CS(=O)(=O)N[C@H]1CCCN(CCC(=O)NCC(=O)[O-])C1	ZINC000738158767	600159617	/nfs/dbraw/zinc/15/96/17/600159617.db2.gz	XYIGJDKUJWKPJE-VIFPVBQESA-N	-1	1	307.372	-1.409	20	0		DAADMM
CN(CC(=O)[O-])C(=O)CCN1CCC[C@@H](NS(C)(=O)=O)C1	ZINC000737403032	600159664	/nfs/dbraw/zinc/15/96/64/600159664.db2.gz	QQUMPVXCZHUPQD-SNVBAGLBSA-N	-1	1	321.399	-1.067	20	0		DAADMM
Cc1nnc(CN2CCN(CCC(=O)NCC(=O)[O-])CC2)n1C	ZINC000738932199	600303843	/nfs/dbraw/zinc/30/38/43/600303843.db2.gz	RRDIJKJEGFXKMI-UHFFFAOYSA-N	-1	1	324.385	-1.168	20	0		DAADMM
CN(CCC(=O)N(C)CC(=O)[O-])CC(=O)N1CCOCC1	ZINC000737412053	600317752	/nfs/dbraw/zinc/31/77/52/600317752.db2.gz	JERHALMQYLHWPJ-UHFFFAOYSA-N	-1	1	301.343	-1.290	20	0		DAADMM
O=C(N[C@H]1CCC(=O)NC1=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000823525872	607448899	/nfs/dbraw/zinc/44/88/99/607448899.db2.gz	UZUIBLVKALDRSI-QMMMGPOBSA-N	-1	1	301.266	-1.203	20	0		DAADMM
O=C(N[C@H]1CCC(=O)NC1=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000823525872	607448900	/nfs/dbraw/zinc/44/89/00/607448900.db2.gz	UZUIBLVKALDRSI-QMMMGPOBSA-N	-1	1	301.266	-1.203	20	0		DAADMM
C[C@@H]1COCCCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000820814908	607469407	/nfs/dbraw/zinc/46/94/07/607469407.db2.gz	ZDKRABZGWILTNU-MRVPVSSYSA-N	-1	1	321.341	-1.121	20	0		DAADMM
CCN1CCN(CC(=O)N[C@@H](CC(=O)OC)C(=O)[O-])CC1	ZINC000829776706	600877498	/nfs/dbraw/zinc/87/74/98/600877498.db2.gz	UQVMBBDREWWTQU-JTQLQIEISA-N	-1	1	301.343	-1.244	20	0		DAADMM
C[C@@H](NS(C)(=O)=O)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1	ZINC000827768475	601084588	/nfs/dbraw/zinc/08/45/88/601084588.db2.gz	SHDBXQDQRPKBBT-VHSXEESVSA-N	-1	1	321.399	-1.069	20	0		DAADMM
C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1	ZINC000827768476	601084723	/nfs/dbraw/zinc/08/47/23/601084723.db2.gz	SHDBXQDQRPKBBT-ZJUUUORDSA-N	-1	1	321.399	-1.069	20	0		DAADMM
O=C([O-])CN(CCN1CCOCC1)C(=O)CCc1nc[nH]n1	ZINC000833248696	601137647	/nfs/dbraw/zinc/13/76/47/601137647.db2.gz	YWPGLMTVRICHAM-UHFFFAOYSA-N	-1	1	311.342	-1.017	20	0		DAADMM
C[C@@H](CN1CCN(C)CC1)NC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000827460751	601200181	/nfs/dbraw/zinc/20/01/81/601200181.db2.gz	AWRUPXNWVPIPQL-JTQLQIEISA-N	-1	1	310.358	-1.272	20	0		DAADMM
NS(=O)(=O)c1ccc(CNCC(=O)NCC(=O)[O-])cc1	ZINC000833089179	601586047	/nfs/dbraw/zinc/58/60/47/601586047.db2.gz	XIFRNSXCKHEHRP-UHFFFAOYSA-N	-1	1	301.324	-1.376	20	0		DAADMM
CNS(=O)(=O)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1	ZINC000826091143	607542455	/nfs/dbraw/zinc/54/24/55/607542455.db2.gz	WLCLOGCSMKDWPM-SSDOTTSWSA-N	-1	1	310.343	-1.215	20	0		DAADMM
CNS(=O)(=O)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1	ZINC000826091143	607542457	/nfs/dbraw/zinc/54/24/57/607542457.db2.gz	WLCLOGCSMKDWPM-SSDOTTSWSA-N	-1	1	310.343	-1.215	20	0		DAADMM
CN1CCN(C)[C@H](CNC(=O)[C@H]2COCCN2C(=O)[O-])C1	ZINC000739735829	602901083	/nfs/dbraw/zinc/90/10/83/602901083.db2.gz	VPCWCICVVHFKLI-GHMZBOCLSA-N	-1	1	300.359	-1.273	20	0		DAADMM
CN1CCN(C)[C@@H](CNC(=O)[C@H]2COCCN2C(=O)[O-])C1	ZINC000739735832	602901337	/nfs/dbraw/zinc/90/13/37/602901337.db2.gz	VPCWCICVVHFKLI-WDEREUQCSA-N	-1	1	300.359	-1.273	20	0		DAADMM
O=C([O-])NCCN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1	ZINC000740659002	602929803	/nfs/dbraw/zinc/92/98/03/602929803.db2.gz	OSGWCSFGTWXAKD-NXEZZACHSA-N	-1	1	307.372	-1.659	20	0		DAADMM
CN1CCN(CCNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1	ZINC000739736220	603132384	/nfs/dbraw/zinc/13/23/84/603132384.db2.gz	CPDRKNZDPDMJPH-WDEREUQCSA-N	-1	1	300.359	-1.537	20	0		DAADMM
NS(=O)(=O)CCN1CCC[C@H](C(=O)NCCNC(=O)[O-])C1	ZINC000740342994	603408791	/nfs/dbraw/zinc/40/87/91/603408791.db2.gz	RLMYQHAWKZSIPH-VIFPVBQESA-N	-1	1	322.387	-1.629	20	0		DAADMM
O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1	ZINC000831271596	603771973	/nfs/dbraw/zinc/77/19/73/603771973.db2.gz	DGBSFWCTWPEMDT-BIIVOSGPSA-N	-1	1	312.286	-1.787	20	0		DAADMM
NS(=O)(=O)CCN1CCN(C[C@@H]2CCN(C(=O)[O-])C2)CC1	ZINC000831245644	604113329	/nfs/dbraw/zinc/11/33/29/604113329.db2.gz	LDFMBUCUBWTHGU-NSHDSACASA-N	-1	1	320.415	-1.108	20	0		DAADMM
O=C([O-])N1CCO[C@H](C(=O)N2CCO[C@H](c3nn[nH]n3)C2)C1	ZINC000832050999	604853439	/nfs/dbraw/zinc/85/34/39/604853439.db2.gz	SITZJJHMZLZIAC-YUMQZZPRSA-N	-1	1	312.286	-1.522	20	0		DAADMM
C[C@@H](C(=O)NCC(=O)[O-])N1CCN(C(=O)CN(C)C)CC1	ZINC000826001690	604959994	/nfs/dbraw/zinc/95/99/94/604959994.db2.gz	YGVHTAKCJCSJFO-JTQLQIEISA-N	-1	1	300.359	-1.719	20	0		DAADMM
O=C([O-])NCC(=O)NCC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000834197231	605342885	/nfs/dbraw/zinc/34/28/85/605342885.db2.gz	XMOTUMSQDAEZJQ-VHSXEESVSA-N	-1	1	314.342	-1.650	20	0		DAADMM
O=C([O-])NCC(=O)NCC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000834197230	605343085	/nfs/dbraw/zinc/34/30/85/605343085.db2.gz	XMOTUMSQDAEZJQ-UWVGGRQHSA-N	-1	1	314.342	-1.650	20	0		DAADMM
O=C([O-])NCC(=O)N1CCC(O)(CN2CCOCC2)CC1	ZINC000834195489	605754079	/nfs/dbraw/zinc/75/40/79/605754079.db2.gz	YMJLYDYZMHETQH-UHFFFAOYSA-N	-1	1	301.343	-1.060	20	0		DAADMM
O=C([O-])N1CCN(C(=O)CNC(=O)NCCN2CCC2)CC1	ZINC000834042701	605950692	/nfs/dbraw/zinc/95/06/92/605950692.db2.gz	XVPFRLYZZUPNIX-UHFFFAOYSA-N	-1	1	313.358	-1.187	20	0		DAADMM
CCN(CC(=O)NC)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000821165388	606163404	/nfs/dbraw/zinc/16/34/04/606163404.db2.gz	QORRSLDUIAGHCY-UHFFFAOYSA-N	-1	1	322.329	-2.164	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@](C)(O)C2)n(C)c1=O	ZINC000822600072	606244089	/nfs/dbraw/zinc/24/40/89/606244089.db2.gz	JJZVBLMDCIRSIS-GFCCVEGCSA-N	-1	1	307.314	-1.775	20	0		DAADMM
CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2cncn2C)c1=O	ZINC000821565029	606332800	/nfs/dbraw/zinc/33/28/00/606332800.db2.gz	AGOOPICOCZMWMG-UHFFFAOYSA-N	-1	1	302.298	-1.008	20	0		DAADMM
CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000736865683	606434748	/nfs/dbraw/zinc/43/47/48/606434748.db2.gz	CECITCNRVLODIT-ZCFIWIBFSA-N	-1	1	311.327	-1.326	20	0		DAADMM
CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000736865683	606434750	/nfs/dbraw/zinc/43/47/50/606434750.db2.gz	CECITCNRVLODIT-ZCFIWIBFSA-N	-1	1	311.327	-1.326	20	0		DAADMM
C[C@H]1C(=O)NCCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000820641924	606474772	/nfs/dbraw/zinc/47/47/72/606474772.db2.gz	FSFNOQWYTFGDMA-LURJTMIESA-N	-1	1	320.313	-2.411	20	0		DAADMM
O=C(COc1ccccc1-c1nn[nH]n1)NN1CC(=O)[N-]C1=O	ZINC000823536123	606578774	/nfs/dbraw/zinc/57/87/74/606578774.db2.gz	SIZOSALIPRUOOD-UHFFFAOYSA-N	-1	1	317.265	-1.172	20	0		DAADMM
NS(=O)(=O)CCNC(=O)c1ccc(-c2nnn[n-]2)s1	ZINC000822895188	606591499	/nfs/dbraw/zinc/59/14/99/606591499.db2.gz	NCTKBOQWMKORIX-UHFFFAOYSA-N	-1	1	302.341	-1.054	20	0		DAADMM
NS(=O)(=O)CCNC(=O)c1ccc(-c2nn[n-]n2)s1	ZINC000822895188	606591501	/nfs/dbraw/zinc/59/15/01/606591501.db2.gz	NCTKBOQWMKORIX-UHFFFAOYSA-N	-1	1	302.341	-1.054	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N(CCO)C2CC2)n(C)c1=O	ZINC000822600080	606643836	/nfs/dbraw/zinc/64/38/36/606643836.db2.gz	JMFSEPAXRMFCPD-UHFFFAOYSA-N	-1	1	307.314	-1.775	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NCCn2ncnn2)n(C)c1=O	ZINC000822600275	606756864	/nfs/dbraw/zinc/75/68/64/606756864.db2.gz	KXMGDLBTJXFYTQ-UHFFFAOYSA-N	-1	1	319.289	-2.637	20	0		DAADMM
Cn1[nH]cnc1=NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000822714350	606779255	/nfs/dbraw/zinc/77/92/55/606779255.db2.gz	LQWONKLDELPZAL-UHFFFAOYSA-N	-1	1	307.299	-1.387	20	0		DAADMM
Cn1[nH]cnc1=NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000822714350	606779257	/nfs/dbraw/zinc/77/92/57/606779257.db2.gz	LQWONKLDELPZAL-UHFFFAOYSA-N	-1	1	307.299	-1.387	20	0		DAADMM
CCn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)CCOC)c1=O	ZINC000821565261	606782598	/nfs/dbraw/zinc/78/25/98/606782598.db2.gz	LOQHBXNPEWLIQG-UHFFFAOYSA-N	-1	1	308.298	-1.184	20	0		DAADMM
C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(N)=O	ZINC000820788613	606785124	/nfs/dbraw/zinc/78/51/24/606785124.db2.gz	KOYFBAWBFHKEDI-MRVPVSSYSA-N	-1	1	303.330	-1.348	20	0		DAADMM
C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(N)=O	ZINC000820788613	606785125	/nfs/dbraw/zinc/78/51/25/606785125.db2.gz	KOYFBAWBFHKEDI-MRVPVSSYSA-N	-1	1	303.330	-1.348	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N[C@](C)(CO)C2CC2)n(C)c1=O	ZINC000822600742	606831836	/nfs/dbraw/zinc/83/18/36/606831836.db2.gz	RPMPTXLKWKDFMU-CYBMUJFWSA-N	-1	1	321.341	-1.163	20	0		DAADMM
NC(=O)NC(=O)CCNC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000822873815	606913381	/nfs/dbraw/zinc/91/33/81/606913381.db2.gz	LGKZCQRFGUPEJI-UHFFFAOYSA-N	-1	1	304.270	-1.424	20	0		DAADMM
NC(=O)NC(=O)CCNC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000822873815	606913382	/nfs/dbraw/zinc/91/33/82/606913382.db2.gz	LGKZCQRFGUPEJI-UHFFFAOYSA-N	-1	1	304.270	-1.424	20	0		DAADMM
O=C(CN1CC(=O)NC1=O)Nc1ncc(-c2nn[n-]n2)s1	ZINC000823535528	607110668	/nfs/dbraw/zinc/11/06/68/607110668.db2.gz	AMVRAJHEXQZOJT-UHFFFAOYSA-N	-1	1	308.283	-1.187	20	0		DAADMM
O=C(CN1CC(=O)NC1=O)Nc1ncc(-c2nnn[n-]2)s1	ZINC000823535528	607110667	/nfs/dbraw/zinc/11/06/67/607110667.db2.gz	AMVRAJHEXQZOJT-UHFFFAOYSA-N	-1	1	308.283	-1.187	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NCCc2nnc[nH]2)n(C)c1=O	ZINC000822600415	607112130	/nfs/dbraw/zinc/11/21/30/607112130.db2.gz	NRMCMLVRCOPTGQ-UHFFFAOYSA-N	-1	1	318.301	-1.963	20	0		DAADMM
COC(=O)[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(C)C	ZINC000821641164	607206512	/nfs/dbraw/zinc/20/65/12/607206512.db2.gz	XGABDRLXEPSJGH-MRVPVSSYSA-N	-1	1	308.302	-1.228	20	0		DAADMM
CC[C@@](C)(NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)OC	ZINC000820853743	607212085	/nfs/dbraw/zinc/21/20/85/607212085.db2.gz	ORMWKEJRWKKVNW-LLVKDONJSA-N	-1	1	308.302	-1.084	20	0		DAADMM
C[C@@H]1CN(CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)CCO1	ZINC000820760473	607212342	/nfs/dbraw/zinc/21/23/42/607212342.db2.gz	QUTGIUUGAKLMNB-SECBINFHSA-N	-1	1	321.345	-1.705	20	0		DAADMM
CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CCCCNC1=O	ZINC000821572305	607212614	/nfs/dbraw/zinc/21/26/14/607212614.db2.gz	ZEDKNYVWCLJYAN-QMMMGPOBSA-N	-1	1	319.329	-1.415	20	0		DAADMM
COC(=O)[C@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1	ZINC000821655707	607213451	/nfs/dbraw/zinc/21/34/51/607213451.db2.gz	QHIYRZCYDYIZGC-QMMMGPOBSA-N	-1	1	320.313	-1.130	20	0		DAADMM
COC(=O)[C@@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1	ZINC000821655706	607213507	/nfs/dbraw/zinc/21/35/07/607213507.db2.gz	QHIYRZCYDYIZGC-MRVPVSSYSA-N	-1	1	320.313	-1.130	20	0		DAADMM
CCCOC(=O)CCNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821128702	607215040	/nfs/dbraw/zinc/21/50/40/607215040.db2.gz	ZRWIWAVZYJCKSY-UHFFFAOYSA-N	-1	1	308.302	-1.082	20	0		DAADMM
CN(CCn1cccn1)C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821607618	607216163	/nfs/dbraw/zinc/21/61/63/607216163.db2.gz	WSZIHDGYENGMKV-UHFFFAOYSA-N	-1	1	302.302	-1.187	20	0		DAADMM
COCCN(CC(=O)OC)C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821689413	607216845	/nfs/dbraw/zinc/21/68/45/607216845.db2.gz	ZJTGSXIXERRWFN-UHFFFAOYSA-N	-1	1	324.301	-1.894	20	0		DAADMM
COC(=O)[C@H]1COCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821656853	607220971	/nfs/dbraw/zinc/22/09/71/607220971.db2.gz	ARJHZZHMUCFVAX-SSDOTTSWSA-N	-1	1	322.285	-2.141	20	0		DAADMM
CCOC(=O)C[C@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821326461	607223598	/nfs/dbraw/zinc/22/35/98/607223598.db2.gz	XUQFVHMXQHYSKG-ZETCQYMHSA-N	-1	1	308.302	-1.084	20	0		DAADMM
CC(C)[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(N)=O	ZINC000820026703	607225428	/nfs/dbraw/zinc/22/54/28/607225428.db2.gz	LYQQWGXZMVXHQJ-ZETCQYMHSA-N	-1	1	322.329	-1.814	20	0		DAADMM
O=C([O-])C1(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)CCCC1	ZINC000823126923	607232965	/nfs/dbraw/zinc/23/29/65/607232965.db2.gz	NWVLVPDDOVMRHD-UHFFFAOYSA-N	-1	1	306.286	-1.028	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CC[C@H](O)CC2)n(C)c1=O	ZINC000826355738	607810533	/nfs/dbraw/zinc/81/05/33/607810533.db2.gz	LLRMWECRKUMDJM-ZKCHVHJHSA-N	-1	1	321.341	-1.021	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](CO)CC2CC2)n(C)c1=O	ZINC000826356061	607850810	/nfs/dbraw/zinc/85/08/10/607850810.db2.gz	YUWLLNAJKLXJLC-QMMMGPOBSA-N	-1	1	321.341	-1.163	20	0		DAADMM
CNC(=O)[C@H](CC(C)C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000826067243	607918983	/nfs/dbraw/zinc/91/89/83/607918983.db2.gz	FQAJXFMSDHIMBM-QMMMGPOBSA-N	-1	1	321.345	-1.265	20	0		DAADMM
CC[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@H]1O	ZINC000825213478	608018193	/nfs/dbraw/zinc/01/81/93/608018193.db2.gz	YYMYGCDSMJKGSP-JGVFFNPUSA-N	-1	1	321.341	-1.529	20	0		DAADMM
CCOC(=O)/C=C/Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O	ZINC000825499262	608095531	/nfs/dbraw/zinc/09/55/31/608095531.db2.gz	JGNKZLIECIHSGJ-SNAWJCMRSA-N	-1	1	306.282	-1.154	20	0		DAADMM
Cc1cnc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)cn1	ZINC000826318739	608096017	/nfs/dbraw/zinc/09/60/17/608096017.db2.gz	XCVYIOVTWSCFSD-UHFFFAOYSA-N	-1	1	300.282	-1.126	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)NCC2CCC2)c1=O	ZINC000826356201	608096456	/nfs/dbraw/zinc/09/64/56/608096456.db2.gz	GEJHRJOCHSCVEL-UHFFFAOYSA-N	-1	1	319.325	-1.357	20	0		DAADMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@H](NC(N)=O)C2)n1	ZINC000826357057	608106641	/nfs/dbraw/zinc/10/66/41/608106641.db2.gz	POKOEEITDJAVDM-LURJTMIESA-N	-1	1	320.317	-1.125	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@H](NC(N)=O)C2)n1	ZINC000826357057	608106642	/nfs/dbraw/zinc/10/66/42/608106642.db2.gz	POKOEEITDJAVDM-LURJTMIESA-N	-1	1	320.317	-1.125	20	0		DAADMM
C[C@@H]1OCC[C@H]1Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000825021048	608148200	/nfs/dbraw/zinc/14/82/00/608148200.db2.gz	OJUHOKJLHXGLEP-NKWVEPMBSA-N	-1	1	307.314	-1.147	20	0		DAADMM
CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccnn2C)c1=O	ZINC000825799637	608330348	/nfs/dbraw/zinc/33/03/48/608330348.db2.gz	OJMFFRLOBYYPNP-UHFFFAOYSA-N	-1	1	302.298	-1.008	20	0		DAADMM
CN(C)C(=O)CN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1	ZINC000825839909	608391402	/nfs/dbraw/zinc/39/14/02/608391402.db2.gz	LGUITBQYBQBASY-UHFFFAOYSA-N	-1	1	317.357	-1.133	20	0		DAADMM
CN(C)C(=O)CN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1	ZINC000825839909	608391404	/nfs/dbraw/zinc/39/14/04/608391404.db2.gz	LGUITBQYBQBASY-UHFFFAOYSA-N	-1	1	317.357	-1.133	20	0		DAADMM
CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)S(N)(=O)=O	ZINC000825937694	608408250	/nfs/dbraw/zinc/40/82/50/608408250.db2.gz	IDQPGYODJSYACT-UHFFFAOYSA-N	-1	1	301.336	-1.760	20	0		DAADMM
CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)S(N)(=O)=O	ZINC000825937694	608408251	/nfs/dbraw/zinc/40/82/51/608408251.db2.gz	IDQPGYODJSYACT-UHFFFAOYSA-N	-1	1	301.336	-1.760	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NCC2(C)OCCO2)n(C)c1=O	ZINC000826355809	608552536	/nfs/dbraw/zinc/55/25/36/608552536.db2.gz	NWJPYFBWFAUHCZ-UHFFFAOYSA-N	-1	1	323.313	-1.561	20	0		DAADMM
C[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@@H]1O	ZINC000824991487	608554664	/nfs/dbraw/zinc/55/46/64/608554664.db2.gz	BLQIGEQPFHOREU-RQJHMYQMSA-N	-1	1	307.314	-1.919	20	0		DAADMM
C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1nc[nH]n1	ZINC000824650918	608666788	/nfs/dbraw/zinc/66/67/88/608666788.db2.gz	WCIVSPBJGPCRCH-RXMQYKEDSA-N	-1	1	318.301	-1.445	20	0		DAADMM
COC[C@H](C)NC(=O)NC(=O)Cn1ccnc1-c1nnn[n-]1	ZINC000826148383	608887206	/nfs/dbraw/zinc/88/72/06/608887206.db2.gz	HEEBKXHGAPXLHD-ZETCQYMHSA-N	-1	1	308.302	-1.076	20	0		DAADMM
COC[C@H](C)NC(=O)NC(=O)Cn1ccnc1-c1nn[n-]n1	ZINC000826148383	608887209	/nfs/dbraw/zinc/88/72/09/608887209.db2.gz	HEEBKXHGAPXLHD-ZETCQYMHSA-N	-1	1	308.302	-1.076	20	0		DAADMM
CC(C)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1=O	ZINC000824300693	609264887	/nfs/dbraw/zinc/26/48/87/609264887.db2.gz	JBZSZLUOWJKTFP-UHFFFAOYSA-N	-1	1	319.329	-1.463	20	0		DAADMM
CCOCCOC1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1	ZINC000825599840	609265580	/nfs/dbraw/zinc/26/55/80/609265580.db2.gz	SFGRBNWGQUFJKB-UHFFFAOYSA-N	-1	1	322.329	-1.278	20	0		DAADMM
C[C@@H](O)[C@@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1	ZINC000824687961	609568650	/nfs/dbraw/zinc/56/86/50/609568650.db2.gz	HSBJURDKMHCBTB-HTQZYQBOSA-N	-1	1	321.341	-1.529	20	0		DAADMM
C[C@@H](O)[C@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1	ZINC000824687963	609568778	/nfs/dbraw/zinc/56/87/78/609568778.db2.gz	HSBJURDKMHCBTB-SFYZADRCSA-N	-1	1	321.341	-1.529	20	0		DAADMM
CN1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(=O)n(C)[n-]3)C2)C1=O	ZINC001020484673	662313681	/nfs/dbraw/zinc/31/36/81/662313681.db2.gz	MGUVZLHYOYIGQT-GUBZILKMSA-N	-1	1	322.369	-1.677	20	0		DAADMM
C[C@@]1(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)CNC(=O)C1	ZINC000969439809	662317671	/nfs/dbraw/zinc/31/76/71/662317671.db2.gz	MJDMPMLRUBVPEY-OQPBUACISA-N	-1	1	308.342	-1.273	20	0		DAADMM
C[C@@H](NC(=O)[C@H]1COC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000969593913	662323133	/nfs/dbraw/zinc/32/31/33/662323133.db2.gz	JDXDLPWRHYBDFQ-VXNVDRBHSA-N	-1	1	324.341	-1.847	20	0		DAADMM
C[C@H](NC(=O)[C@H]1COC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000969593906	662323482	/nfs/dbraw/zinc/32/34/82/662323482.db2.gz	JDXDLPWRHYBDFQ-IONNQARKSA-N	-1	1	324.341	-1.847	20	0		DAADMM
O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)c1nnc[nH]1	ZINC000969746533	662327480	/nfs/dbraw/zinc/32/74/80/662327480.db2.gz	MFPFLDHZZWQLGV-APPZFPTMSA-N	-1	1	318.293	-1.479	20	0		DAADMM
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000969969313	662335268	/nfs/dbraw/zinc/33/52/68/662335268.db2.gz	CUAJZPGYTLYLAT-BBBLOLIVSA-N	-1	1	322.369	-1.075	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@@H]2COCCN2C)nc1=O	ZINC001038177465	662344343	/nfs/dbraw/zinc/34/43/43/662344343.db2.gz	KTLKNNHESXMQFF-QWRGUYRKSA-N	-1	1	324.385	-1.871	20	0		DAADMM
Cn1cnnc1CN[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001020983630	662346162	/nfs/dbraw/zinc/34/61/62/662346162.db2.gz	OUTAJIKWCCMXGF-ZKCHVHJHSA-N	-1	1	322.329	-1.745	20	0		DAADMM
C[C@@H](NC(=O)[C@H]1CCNC1=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000970265360	662355272	/nfs/dbraw/zinc/35/52/72/662355272.db2.gz	PLVBMYFAFYQXNJ-SCZZXKLOSA-N	-1	1	322.369	-1.819	20	0		DAADMM
C[C@@H](NC(=O)[C@@H]1CCNC1=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000970265358	662355302	/nfs/dbraw/zinc/35/53/02/662355302.db2.gz	PLVBMYFAFYQXNJ-PSASIEDQSA-N	-1	1	322.369	-1.819	20	0		DAADMM
C[C@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000970282699	662356304	/nfs/dbraw/zinc/35/63/04/662356304.db2.gz	XFIBQEATSIRHPH-MVVXRAEJSA-N	-1	1	321.381	-1.063	20	0		DAADMM
NC(=O)c1c[nH]c(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)c1	ZINC000970345402	662359172	/nfs/dbraw/zinc/35/91/72/662359172.db2.gz	GNDRDQWVONVCTD-MRVPVSSYSA-N	-1	1	319.325	-1.058	20	0		DAADMM
C[C@@H](NC(=O)c1cnn(C)n1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000970570193	662364102	/nfs/dbraw/zinc/36/41/02/662364102.db2.gz	IDLNTARZACVAAR-MRVPVSSYSA-N	-1	1	320.357	-1.513	20	0		DAADMM
C[C@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)C1CN(CC(N)=O)C1	ZINC000970736847	662369021	/nfs/dbraw/zinc/36/90/21/662369021.db2.gz	GATOOAMBNQVFJK-ZETCQYMHSA-N	-1	1	319.325	-2.047	20	0		DAADMM
CCS(=O)(=O)N1CCC[C@H](C(=O)NN2CC(=O)[N-]C2=O)C1	ZINC000050170226	662375064	/nfs/dbraw/zinc/37/50/64/662375064.db2.gz	BSJMTFNEOKDNQE-QMMMGPOBSA-N	-1	1	318.355	-1.369	20	0		DAADMM
Cn1cnc(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001010868431	662377309	/nfs/dbraw/zinc/37/73/09/662377309.db2.gz	GPHOAQJAMQDCAC-QMMMGPOBSA-N	-1	1	306.330	-1.759	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1	ZINC000971205596	662379709	/nfs/dbraw/zinc/37/97/09/662379709.db2.gz	VRBCTMJVIATLGB-NXEZZACHSA-N	-1	1	322.369	-1.580	20	0		DAADMM
C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[n-]2)C1)n1cncn1	ZINC001021984281	662384094	/nfs/dbraw/zinc/38/40/94/662384094.db2.gz	QSUMJSGTRYELFK-LPEHRKFASA-N	-1	1	320.357	-1.302	20	0		DAADMM
Cn1[n-]c(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CN=NC3=O)C2)nc1=O	ZINC001021987473	662384231	/nfs/dbraw/zinc/38/42/31/662384231.db2.gz	IFZPSMFFFYXSLA-OCAPTIKFSA-N	-1	1	322.329	-2.158	20	0		DAADMM
CC[C@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000971869612	662392803	/nfs/dbraw/zinc/39/28/03/662392803.db2.gz	LSKTUJJJECEZBP-HTQZYQBOSA-N	-1	1	324.341	-1.307	20	0		DAADMM
CN([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000971870049	662392823	/nfs/dbraw/zinc/39/28/23/662392823.db2.gz	OCZQARSAYBUVAH-JGVFFNPUSA-N	-1	1	322.325	-1.682	20	0		DAADMM
CN([C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)[C@H]1CCNC1=O	ZINC000971870050	662392852	/nfs/dbraw/zinc/39/28/52/662392852.db2.gz	OCZQARSAYBUVAH-SFYZADRCSA-N	-1	1	322.325	-1.682	20	0		DAADMM
CN([C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)[C@@H]1CCNC1=O	ZINC000971870046	662392956	/nfs/dbraw/zinc/39/29/56/662392956.db2.gz	OCZQARSAYBUVAH-HTQZYQBOSA-N	-1	1	322.325	-1.682	20	0		DAADMM
CN([C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)[C@H]1CCNC1=O	ZINC000971870051	662393107	/nfs/dbraw/zinc/39/31/07/662393107.db2.gz	OCZQARSAYBUVAH-YUMQZZPRSA-N	-1	1	322.325	-1.682	20	0		DAADMM
CCn1nncc1C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001038235066	662397776	/nfs/dbraw/zinc/39/77/76/662397776.db2.gz	MQYHEXUMRXNJCO-SECBINFHSA-N	-1	1	320.357	-1.276	20	0		DAADMM
C[C@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1	ZINC000972062668	662399225	/nfs/dbraw/zinc/39/92/25/662399225.db2.gz	DCBDTFSUSHUKAF-RKDXNWHRSA-N	-1	1	323.353	-1.494	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1	ZINC000972208298	662403658	/nfs/dbraw/zinc/40/36/58/662403658.db2.gz	YHRDBDQZQXMXPO-BDAKNGLRSA-N	-1	1	323.357	-2.178	20	0		DAADMM
CCC(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1O	ZINC001022844940	662409691	/nfs/dbraw/zinc/40/96/91/662409691.db2.gz	ZYENBMJDGHNFDX-NXEZZACHSA-N	-1	1	324.337	-1.975	20	0		DAADMM
CC(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1O	ZINC001022852200	662411146	/nfs/dbraw/zinc/41/11/46/662411146.db2.gz	YRDMSDQFIFJRPE-RKDXNWHRSA-N	-1	1	306.282	-2.261	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@@]3(CCN(C(=O)C(N)=O)C3)C2)nc1=O	ZINC000972527077	662440810	/nfs/dbraw/zinc/44/08/10/662440810.db2.gz	QNDNXWMKQROZQE-ZDUSSCGKSA-N	-1	1	324.341	-2.603	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1	ZINC000972545191	662445651	/nfs/dbraw/zinc/44/56/51/662445651.db2.gz	ROYCNFXGGGQCTE-SECBINFHSA-N	-1	1	320.357	-1.417	20	0		DAADMM
C[C@H](C(N)=O)N1CCC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001023468144	662448927	/nfs/dbraw/zinc/44/89/27/662448927.db2.gz	KKDSWKLWLVPDCR-SFYZADRCSA-N	-1	1	324.341	-1.402	20	0		DAADMM
C[C@@H](C(N)=O)N1CCC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001023468143	662448967	/nfs/dbraw/zinc/44/89/67/662448967.db2.gz	KKDSWKLWLVPDCR-JGVFFNPUSA-N	-1	1	324.341	-1.402	20	0		DAADMM
O=C(N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O)c1ncccc1[O-]	ZINC001023490699	662450192	/nfs/dbraw/zinc/45/01/92/662450192.db2.gz	NFKXTEQOFORTFG-VXNVDRBHSA-N	-1	1	318.293	-1.479	20	0		DAADMM
CN1C[C@H](C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)CC1=O	ZINC001038312903	662482729	/nfs/dbraw/zinc/48/27/29/662482729.db2.gz	UHICNHDWBKSBLH-ZJUUUORDSA-N	-1	1	322.369	-1.723	20	0		DAADMM
O=C(Cn1ncnn1)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001024965248	662488502	/nfs/dbraw/zinc/48/85/02/662488502.db2.gz	XUJYMVFHTJAWTB-SECBINFHSA-N	-1	1	321.345	-1.332	20	0		DAADMM
Nc1nccnc1C(=O)N[C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1	ZINC000973107550	662502287	/nfs/dbraw/zinc/50/22/87/662502287.db2.gz	VPGQOYIDGOTCAY-LJGSYFOKSA-N	-1	1	302.298	-1.132	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1	ZINC000973436073	662513637	/nfs/dbraw/zinc/51/36/37/662513637.db2.gz	MGWCEQAXQFRBNY-IZLXSQMJSA-N	-1	1	322.285	-2.115	20	0		DAADMM
O=S(=O)(c1n[n-]c(C2CC2)n1)[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000783706544	662520462	/nfs/dbraw/zinc/52/04/62/662520462.db2.gz	QWEWBXGRPJESAY-RNFRBKRXSA-N	-1	1	307.353	-1.386	20	0		DAADMM
O=S(=O)(c1n[n-]c(C2CC2)n1)[C@H]1CS(=O)(=O)C[C@@H]1O	ZINC000783706542	662520715	/nfs/dbraw/zinc/52/07/15/662520715.db2.gz	QWEWBXGRPJESAY-BQBZGAKWSA-N	-1	1	307.353	-1.386	20	0		DAADMM
O=C(Cn1c(=O)cnc2ccccc21)NN1CC(=O)[N-]C1=O	ZINC000053286103	662558294	/nfs/dbraw/zinc/55/82/94/662558294.db2.gz	TYJPLZCSRSEZNH-UHFFFAOYSA-N	-1	1	301.262	-1.021	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)C3(C(N)=O)CC3)CC2)nc1=O	ZINC000949986714	662568575	/nfs/dbraw/zinc/56/85/75/662568575.db2.gz	OVHKJLOVYOCXRL-UHFFFAOYSA-N	-1	1	308.342	-1.982	20	0		DAADMM
C[C@@H](C(N)=O)N(C)[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001027479261	662600278	/nfs/dbraw/zinc/60/02/78/662600278.db2.gz	BODVISWZEUBXEQ-YUMQZZPRSA-N	-1	1	324.341	-1.307	20	0		DAADMM
CCN(C(=O)[C@H]1COC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000950002788	662603809	/nfs/dbraw/zinc/60/38/09/662603809.db2.gz	ZVYWFKIMVADGLC-SECBINFHSA-N	-1	1	324.341	-1.751	20	0		DAADMM
C[C@@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1	ZINC000978413380	662613700	/nfs/dbraw/zinc/61/37/00/662613700.db2.gz	MUOABCNVHNDJNY-DKXJUACHSA-N	-1	1	322.325	-1.936	20	0		DAADMM
C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)c2cnon2)CCO1	ZINC000979419797	662624346	/nfs/dbraw/zinc/62/43/46/662624346.db2.gz	WLTCBENKZWSVAC-CBAPKCEASA-N	-1	1	323.313	-1.087	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)CN3CCCC3=O)C2)nc1=O	ZINC001010107458	662634253	/nfs/dbraw/zinc/63/42/53/662634253.db2.gz	QQLOGWZKBATIBE-SNVBAGLBSA-N	-1	1	322.369	-1.579	20	0		DAADMM
C[C@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC000980274597	662634918	/nfs/dbraw/zinc/63/49/18/662634918.db2.gz	HWIHYXSDMIEJHG-HTQZYQBOSA-N	-1	1	312.330	-1.904	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)Cn2cncn2)C1	ZINC000980340194	662635578	/nfs/dbraw/zinc/63/55/78/662635578.db2.gz	XRRMCXSFBXAONH-SNVBAGLBSA-N	-1	1	320.357	-1.567	20	0		DAADMM
Cn1[n-]c(CN2CCCC3(CN(C(=O)CC(N)=O)C3)C2)nc1=O	ZINC000981678710	662646141	/nfs/dbraw/zinc/64/61/41/662646141.db2.gz	CBANFNBDJDWBLJ-UHFFFAOYSA-N	-1	1	322.369	-1.592	20	0		DAADMM
Cn1[n-]c(CN2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)nc1=O	ZINC000981850748	662648263	/nfs/dbraw/zinc/64/82/63/662648263.db2.gz	RYZCYFZZJITROO-VIFPVBQESA-N	-1	1	323.357	-2.176	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCNc1ncccn1	ZINC000726873346	662681044	/nfs/dbraw/zinc/68/10/44/662681044.db2.gz	VAJMWDPKSZLQKD-UHFFFAOYSA-N	-1	1	304.310	-1.055	20	0		DAADMM
C[C@H](CN1CCOCC1)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000726867665	662681053	/nfs/dbraw/zinc/68/10/53/662681053.db2.gz	OHNRBOJIZFGQDS-LLVKDONJSA-N	-1	1	310.354	-1.236	20	0		DAADMM
O=C(NC[C@@H]1CCN([C@@H]2CCNC2=O)C1)c1n[nH]c(=O)[n-]c1=O	ZINC001028661177	662683913	/nfs/dbraw/zinc/68/39/13/662683913.db2.gz	GOIWOWJQMBBFPL-JGVFFNPUSA-N	-1	1	322.325	-1.777	20	0		DAADMM
O=C(NC[C@H]1CCN([C@H]2CCNC2=O)C1)c1n[nH]c(=O)[n-]c1=O	ZINC001028661179	662684044	/nfs/dbraw/zinc/68/40/44/662684044.db2.gz	GOIWOWJQMBBFPL-SFYZADRCSA-N	-1	1	322.325	-1.777	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)nc1=O	ZINC001028773909	662690633	/nfs/dbraw/zinc/69/06/33/662690633.db2.gz	OYRAZIUIJNZRAA-RKDXNWHRSA-N	-1	1	323.357	-2.272	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)nc1=O	ZINC001028773906	662690832	/nfs/dbraw/zinc/69/08/32/662690832.db2.gz	OYRAZIUIJNZRAA-BDAKNGLRSA-N	-1	1	323.357	-2.272	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](CNC(=O)c3cnon3)C2)nc1=O	ZINC001028880332	662693428	/nfs/dbraw/zinc/69/34/28/662693428.db2.gz	BHZJJCXQPVTPSN-MRVPVSSYSA-N	-1	1	307.314	-1.257	20	0		DAADMM
O=C(CCc1n[nH]c(=O)[n-]c1=O)N1C[C@H]2CC[C@@H](C1)N2CCO	ZINC001029377111	662701532	/nfs/dbraw/zinc/70/15/32/662701532.db2.gz	DRIPYSDPFVGOOL-AOOOYVTPSA-N	-1	1	323.353	-1.117	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)N1CCN(C)CCN(C)CC1	ZINC000895570552	662703949	/nfs/dbraw/zinc/70/39/49/662703949.db2.gz	LKNJPAPAQIZCHQ-UHFFFAOYSA-N	-1	1	301.391	-1.057	20	0		DAADMM
CN(C)C(=O)N1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC000727754555	662706045	/nfs/dbraw/zinc/70/60/45/662706045.db2.gz	DBYDQNMZMHMURC-UHFFFAOYSA-N	-1	1	323.353	-1.248	20	0		DAADMM
CN(CCN1CCOCC1)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000727856495	662706580	/nfs/dbraw/zinc/70/65/80/662706580.db2.gz	DHTUMHBZVQVFBH-UHFFFAOYSA-N	-1	1	310.354	-1.283	20	0		DAADMM
COC(=O)Cn1ccc(NC(=O)CCn2cc[n-]c(=O)c2=O)n1	ZINC000727856953	662706879	/nfs/dbraw/zinc/70/68/79/662706879.db2.gz	MPXYUIUXPJDWEP-UHFFFAOYSA-N	-1	1	321.293	-1.065	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCCN1CCOC1=O	ZINC000728308597	662709455	/nfs/dbraw/zinc/70/94/55/662709455.db2.gz	XDPUSCDDOQTTTE-UHFFFAOYSA-N	-1	1	310.310	-1.115	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H](CCO)C2CC2)c(=O)n(C)c1=O	ZINC000751443321	662710305	/nfs/dbraw/zinc/71/03/05/662710305.db2.gz	QENAXBDKEIMVTB-SECBINFHSA-N	-1	1	317.367	-1.477	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1	ZINC001029641437	662710936	/nfs/dbraw/zinc/71/09/36/662710936.db2.gz	JBUAWOXGHIQUNM-VIFPVBQESA-N	-1	1	321.345	-1.523	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)Cn2cnnn2)C1	ZINC001029641436	662711118	/nfs/dbraw/zinc/71/11/18/662711118.db2.gz	JBUAWOXGHIQUNM-SECBINFHSA-N	-1	1	321.345	-1.523	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001029839645	662713293	/nfs/dbraw/zinc/71/32/93/662713293.db2.gz	FTXSANCVCQESAN-BBBLOLIVSA-N	-1	1	322.369	-1.088	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1	ZINC000985607811	662713391	/nfs/dbraw/zinc/71/33/91/662713391.db2.gz	KDYXSEBMLMLHEU-SECBINFHSA-N	-1	1	323.357	-1.386	20	0		DAADMM
C[C@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CS(C)(=O)=O	ZINC000986041877	662715416	/nfs/dbraw/zinc/71/54/16/662715416.db2.gz	MYDHCFXLOAMINW-JGVFFNPUSA-N	-1	1	317.371	-1.366	20	0		DAADMM
C[C@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CN1CN=NC1=O	ZINC000986181309	662715787	/nfs/dbraw/zinc/71/57/87/662715787.db2.gz	GCUXZUPOFXKOEW-JGVFFNPUSA-N	-1	1	322.329	-1.413	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)Cn1ncnn1	ZINC000986285243	662716869	/nfs/dbraw/zinc/71/68/69/662716869.db2.gz	DMTMLSBKMUWJDP-YUMQZZPRSA-N	-1	1	307.318	-1.724	20	0		DAADMM
C[C@@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)c1c[nH]c(=O)cn1	ZINC000986750331	662718971	/nfs/dbraw/zinc/71/89/71/662718971.db2.gz	SSCNXXRWOBRFIV-HTQZYQBOSA-N	-1	1	319.325	-1.014	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CCn1cnnn1	ZINC000987250297	662721959	/nfs/dbraw/zinc/72/19/59/662721959.db2.gz	TYKWUAGQNQJKAK-IUCAKERBSA-N	-1	1	321.345	-1.334	20	0		DAADMM
C[C@@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)Cn1cncn1	ZINC000987470671	662722714	/nfs/dbraw/zinc/72/27/14/662722714.db2.gz	HDFAQZOHNNKHHJ-RKDXNWHRSA-N	-1	1	306.330	-1.119	20	0		DAADMM
C[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CS(C)(=O)=O	ZINC000988277883	662725511	/nfs/dbraw/zinc/72/55/11/662725511.db2.gz	HJNDAFSZJSWPAH-JGVFFNPUSA-N	-1	1	317.371	-1.366	20	0		DAADMM
O=C(Cn1cnnn1)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1	ZINC000937654829	662726665	/nfs/dbraw/zinc/72/66/65/662726665.db2.gz	ZHEZQEXXUDYFJL-VIFPVBQESA-N	-1	1	317.309	-1.195	20	0		DAADMM
O=C(Cn1cnnn1)N1CC[C@H](NC(=O)c2ncccc2[O-])C1	ZINC000937860489	662732744	/nfs/dbraw/zinc/73/27/44/662732744.db2.gz	GSMJFMWCEXEOPF-VIFPVBQESA-N	-1	1	317.309	-1.195	20	0		DAADMM
O=C(N[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1)c1ncccc1[O-]	ZINC000937862995	662732836	/nfs/dbraw/zinc/73/28/36/662732836.db2.gz	AIVCOPXBUKFTCK-DTWKUNHWSA-N	-1	1	319.321	-1.201	20	0		DAADMM
C[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)Cn1ncnn1	ZINC000988838972	662739659	/nfs/dbraw/zinc/73/96/59/662739659.db2.gz	QEDWYCDVVMPWKZ-YUMQZZPRSA-N	-1	1	307.318	-1.724	20	0		DAADMM
O=C(Cc1ncn[nH]1)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000989452949	662746731	/nfs/dbraw/zinc/74/67/31/662746731.db2.gz	XCPCOWAUFTUFMA-UHFFFAOYSA-N	-1	1	306.330	-1.095	20	0		DAADMM
C[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CCn1cnnn1	ZINC000989600786	662749157	/nfs/dbraw/zinc/74/91/57/662749157.db2.gz	MPWZGKBUMHJZLS-RKDXNWHRSA-N	-1	1	321.345	-1.334	20	0		DAADMM
C[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC000990130732	662753676	/nfs/dbraw/zinc/75/36/76/662753676.db2.gz	RMSFXWQGRCMQQC-ONGXEEELSA-N	-1	1	320.349	-1.090	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@H]2CCC(=O)N2)nc1=O	ZINC001038119254	662770964	/nfs/dbraw/zinc/77/09/64/662770964.db2.gz	IJPOGNUSNWXXSD-DTWKUNHWSA-N	-1	1	308.342	-1.923	20	0		DAADMM
O=C(NC1CN(C(=O)[C@@H]2COC(=O)N2)C1)c1ncccc1[O-]	ZINC000990970048	662788214	/nfs/dbraw/zinc/78/82/14/662788214.db2.gz	SISSUPBQYDQCBE-QMMMGPOBSA-N	-1	1	306.278	-1.164	20	0		DAADMM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@H](O)CN1CCCC1	ZINC000903702370	662790123	/nfs/dbraw/zinc/79/01/23/662790123.db2.gz	WEQLWMAIKOHZPB-MNOVXSKESA-N	-1	1	306.384	-1.373	20	0		DAADMM
O=C([O-])[C@H]1CS(=O)(=O)CCN1C[C@H](O)CN1CCCC1	ZINC000903702369	662790140	/nfs/dbraw/zinc/79/01/40/662790140.db2.gz	WEQLWMAIKOHZPB-GHMZBOCLSA-N	-1	1	306.384	-1.373	20	0		DAADMM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@@H](O)CN1CCCC1	ZINC000903702484	662790145	/nfs/dbraw/zinc/79/01/45/662790145.db2.gz	WEQLWMAIKOHZPB-QWRGUYRKSA-N	-1	1	306.384	-1.373	20	0		DAADMM
CNC(=O)NCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC	ZINC000912555789	663154100	/nfs/dbraw/zinc/15/41/00/663154100.db2.gz	FHNBUGPJAJGOLI-UHFFFAOYSA-N	-1	1	305.316	-1.596	20	0		DAADMM
NC(=O)CC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC000991426938	663156169	/nfs/dbraw/zinc/15/61/69/663156169.db2.gz	NOXHHZQIGHAYTA-SCZZXKLOSA-N	-1	1	322.321	-1.646	20	0		DAADMM
NC(=O)CC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])[C@H](O)C1	ZINC000991426932	663156176	/nfs/dbraw/zinc/15/61/76/663156176.db2.gz	NOXHHZQIGHAYTA-PSASIEDQSA-N	-1	1	322.321	-1.646	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@H]2COCCO2)nc1=O	ZINC001038056884	663159108	/nfs/dbraw/zinc/15/91/08/663159108.db2.gz	DWVNMPKXKHIXGU-NXEZZACHSA-N	-1	1	311.342	-1.786	20	0		DAADMM
Cn1cc(CC(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC001030143331	663166569	/nfs/dbraw/zinc/16/65/69/663166569.db2.gz	JXYMCNYCOKZVLT-UHFFFAOYSA-N	-1	1	305.342	-1.615	20	0		DAADMM
COC(=O)[C@H]1C[C@@H]1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001030154140	663166919	/nfs/dbraw/zinc/16/69/19/663166919.db2.gz	FYGLAZIYQYAKHD-IUCAKERBSA-N	-1	1	309.326	-1.782	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3nccnc3N)C2)nc1=O	ZINC001030165648	663167649	/nfs/dbraw/zinc/16/76/49/663167649.db2.gz	OQPFEDBTXOXURF-UHFFFAOYSA-N	-1	1	304.314	-1.905	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@@H]3CN(C)CCO3)C2)nc1=O	ZINC001030185087	663169814	/nfs/dbraw/zinc/16/98/14/663169814.db2.gz	ZJHLBORZLRROHP-JTQLQIEISA-N	-1	1	310.358	-2.261	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@H]3CCNC(=O)C3)C2)nc1=O	ZINC001030215211	663170824	/nfs/dbraw/zinc/17/08/24/663170824.db2.gz	PXIHNXOHOXGIAT-QMMMGPOBSA-N	-1	1	308.342	-2.065	20	0		DAADMM
CC(=O)N1CC[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H](O)C1	ZINC000991621425	663172981	/nfs/dbraw/zinc/17/29/81/663172981.db2.gz	YWHLFPKDKKXRFH-WPRPVWTQSA-N	-1	1	320.309	-1.871	20	0		DAADMM
Cn1ncc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)c1N	ZINC001030242550	663173002	/nfs/dbraw/zinc/17/30/02/663173002.db2.gz	KKOLMJSOHFSRSF-UHFFFAOYSA-N	-1	1	306.330	-1.962	20	0		DAADMM
CCn1nccc1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001030245562	663173131	/nfs/dbraw/zinc/17/31/31/663173131.db2.gz	DCNMYIDMONHTQS-UHFFFAOYSA-N	-1	1	305.342	-1.061	20	0		DAADMM
Cc1ccnc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001030258587	663173248	/nfs/dbraw/zinc/17/32/48/663173248.db2.gz	DMQNMMGNCUBCEN-UHFFFAOYSA-N	-1	1	303.326	-1.179	20	0		DAADMM
CCn1ncc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001030279071	663174831	/nfs/dbraw/zinc/17/48/31/663174831.db2.gz	FRCDVQZWOJFWBL-UHFFFAOYSA-N	-1	1	306.330	-1.666	20	0		DAADMM
Cc1nnc(CC(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)[nH]1	ZINC001030288883	663175599	/nfs/dbraw/zinc/17/55/99/663175599.db2.gz	LSUCOQHCFJAVSB-UHFFFAOYSA-N	-1	1	306.330	-1.922	20	0		DAADMM
NC(=O)CC(=O)N1CC(NC(=O)c2cnc(C3CC3)[n-]c2=O)C1	ZINC000991655980	663175879	/nfs/dbraw/zinc/17/58/79/663175879.db2.gz	WEPHBOWGHMVKLL-UHFFFAOYSA-N	-1	1	319.321	-1.124	20	0		DAADMM
C[C@H]1CC(=O)N[C@@H](C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)C1	ZINC001030328499	663179749	/nfs/dbraw/zinc/17/97/49/663179749.db2.gz	KVSUZLLCYOXTLV-PSASIEDQSA-N	-1	1	322.369	-1.677	20	0		DAADMM
NC(=O)C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC000991717644	663185456	/nfs/dbraw/zinc/18/54/56/663185456.db2.gz	AKEIIUMOWPLNKG-VXNVDRBHSA-N	-1	1	308.294	-2.036	20	0		DAADMM
NC(=O)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC000991717637	663185601	/nfs/dbraw/zinc/18/56/01/663185601.db2.gz	AKEIIUMOWPLNKG-CBAPKCEASA-N	-1	1	308.294	-2.036	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)C[C@@H]3CCC(=O)NC3)C2)nc1=O	ZINC001030427717	663193503	/nfs/dbraw/zinc/19/35/03/663193503.db2.gz	RHFKNXKVBKTOFN-VIFPVBQESA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cc1ncn(C)c1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001030480847	663197093	/nfs/dbraw/zinc/19/70/93/663197093.db2.gz	SMIAXAZRPQUXQG-UHFFFAOYSA-N	-1	1	305.342	-1.235	20	0		DAADMM
Cn1[nH]c(CN2CC(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)nc1=O	ZINC001030535800	663199946	/nfs/dbraw/zinc/19/99/46/663199946.db2.gz	UWELMDCHJNGITO-NSHDSACASA-N	-1	1	308.386	-1.107	20	0		DAADMM
CCN1CCOC[C@@H]1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001030578031	663201672	/nfs/dbraw/zinc/20/16/72/663201672.db2.gz	MNEAFLJYGNUXRZ-LLVKDONJSA-N	-1	1	324.385	-1.871	20	0		DAADMM
C[C@@H]1C[C@@H](C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)CC(=O)N1	ZINC001030587448	663201919	/nfs/dbraw/zinc/20/19/19/663201919.db2.gz	HNZUNMRUPXHONE-RKDXNWHRSA-N	-1	1	322.369	-1.677	20	0		DAADMM
O=C(Cn1ncnn1)NC1CN(C(=O)c2ncccc2[O-])C1	ZINC000991869665	663202896	/nfs/dbraw/zinc/20/28/96/663202896.db2.gz	SHIGKHXYOVWOLE-UHFFFAOYSA-N	-1	1	303.282	-1.586	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)C[C@@H]3CCCC(=O)N3)C2)nc1=O	ZINC001030648657	663209254	/nfs/dbraw/zinc/20/92/54/663209254.db2.gz	XKNJMAIVHMZMDR-VIFPVBQESA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)C[C@@H]3CCC(=O)N3C)C2)nc1=O	ZINC001030780679	663221189	/nfs/dbraw/zinc/22/11/89/663221189.db2.gz	ZVXIXKLTGATUQZ-JTQLQIEISA-N	-1	1	322.369	-1.580	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)nc1=O	ZINC001030788887	663223026	/nfs/dbraw/zinc/22/30/26/663223026.db2.gz	ALYHLAQYJKRPDR-DTWKUNHWSA-N	-1	1	308.342	-2.080	20	0		DAADMM
CN1C[C@@H](C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)NC1=O	ZINC001030792924	663224007	/nfs/dbraw/zinc/22/40/07/663224007.db2.gz	DCOIPIKNVFQITH-QMMMGPOBSA-N	-1	1	309.330	-2.568	20	0		DAADMM
CN1C[C@H](C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)NC1=O	ZINC001030792922	663224198	/nfs/dbraw/zinc/22/41/98/663224198.db2.gz	DCOIPIKNVFQITH-MRVPVSSYSA-N	-1	1	309.330	-2.568	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3c[nH]c(=O)cn3)C2)nc1=O	ZINC001030860055	663229079	/nfs/dbraw/zinc/22/90/79/663229079.db2.gz	TYLOPFCAWUJHCD-UHFFFAOYSA-N	-1	1	305.298	-2.194	20	0		DAADMM
COC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)C(N)=O	ZINC000758480592	663229331	/nfs/dbraw/zinc/22/93/31/663229331.db2.gz	GEOZFCDZGQAKPQ-ZETCQYMHSA-N	-1	1	306.296	-1.155	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)nc1=O	ZINC001030968137	663239255	/nfs/dbraw/zinc/23/92/55/663239255.db2.gz	RLQPNJBYYVKQHW-BDAKNGLRSA-N	-1	1	322.369	-1.690	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)nc1=O	ZINC001031024369	663242468	/nfs/dbraw/zinc/24/24/68/663242468.db2.gz	NSKWHHCSQVVWCE-ZETCQYMHSA-N	-1	1	323.313	-2.993	20	0		DAADMM
CCC(N[C@@H]1CCS(=O)(=O)C1)=C1C(=O)[N-]C(=S)NC1=O	ZINC000031433878	663244498	/nfs/dbraw/zinc/24/44/98/663244498.db2.gz	IIOSPRXISZMJEF-ZCFIWIBFSA-N	-1	1	317.392	-1.042	20	0		DAADMM
Cn1nnc(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001015553905	663253158	/nfs/dbraw/zinc/25/31/58/663253158.db2.gz	JQINMENASYICMM-ZETCQYMHSA-N	-1	1	307.318	-2.364	20	0		DAADMM
COCc1nocc1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031244814	663259894	/nfs/dbraw/zinc/25/98/94/663259894.db2.gz	URQDWGQMGSFPBN-UHFFFAOYSA-N	-1	1	322.325	-1.143	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1CN([C@@H](C)C(N)=O)C1	ZINC001031249940	663261008	/nfs/dbraw/zinc/26/10/08/663261008.db2.gz	MEKWLRJJXGURMR-YFKPBYRVSA-N	-1	1	311.298	-1.816	20	0		DAADMM
CNC(=O)CN1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001031250155	663261127	/nfs/dbraw/zinc/26/11/27/663261127.db2.gz	VVQQHRQRWPKURI-UHFFFAOYSA-N	-1	1	305.298	-2.422	20	0		DAADMM
O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCc2[nH]nnc2C1	ZINC001031250995	663262211	/nfs/dbraw/zinc/26/22/11/663262211.db2.gz	UTGFDIJVQDALDW-ZETCQYMHSA-N	-1	1	318.341	-1.266	20	0		DAADMM
O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1CCc2nn[nH]c2C1	ZINC001031250995	663262214	/nfs/dbraw/zinc/26/22/14/663262214.db2.gz	UTGFDIJVQDALDW-ZETCQYMHSA-N	-1	1	318.341	-1.266	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(CC[C@H]2CCOC2)C1	ZINC001031314786	663279942	/nfs/dbraw/zinc/27/99/42/663279942.db2.gz	KINSYFCCEHEEED-VIFPVBQESA-N	-1	1	311.342	-1.084	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)Cn3ccccc3=O)C2)nc1=O	ZINC001031372665	663288651	/nfs/dbraw/zinc/28/86/51/663288651.db2.gz	MLTUZDSGKAVWPG-UHFFFAOYSA-N	-1	1	318.337	-1.729	20	0		DAADMM
CCn1nc(C)c(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001031487659	663296127	/nfs/dbraw/zinc/29/61/27/663296127.db2.gz	MFKJZACUAHDMKD-UHFFFAOYSA-N	-1	1	320.357	-1.358	20	0		DAADMM
C[C@@H](C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1)c1cnn(C)c1	ZINC001031507485	663297182	/nfs/dbraw/zinc/29/71/82/663297182.db2.gz	VSGIVXFPZJCVID-SECBINFHSA-N	-1	1	319.369	-1.054	20	0		DAADMM
Cn1cc(C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC001031538840	663298312	/nfs/dbraw/zinc/29/83/12/663298312.db2.gz	KIOYGDIMKJXBPK-UHFFFAOYSA-N	-1	1	305.342	-1.296	20	0		DAADMM
Cn1nccc1C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031576112	663299945	/nfs/dbraw/zinc/29/99/45/663299945.db2.gz	VZOCBXVNZJIIHR-UHFFFAOYSA-N	-1	1	305.342	-1.296	20	0		DAADMM
CC(=O)N1CC(C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)C1	ZINC001031637028	663304511	/nfs/dbraw/zinc/30/45/11/663304511.db2.gz	RPDSJYHXEJWICH-UHFFFAOYSA-N	-1	1	322.369	-1.865	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@@H]3COC(=O)N3)C2)nc1=O	ZINC001031646695	663304695	/nfs/dbraw/zinc/30/46/95/663304695.db2.gz	FHAZGZVOXHPWOV-QMMMGPOBSA-N	-1	1	310.314	-2.235	20	0		DAADMM
NC(=O)C(=O)N1CC[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000938315042	663313219	/nfs/dbraw/zinc/31/32/19/663313219.db2.gz	XQZWRQRRNIQLAE-LURJTMIESA-N	-1	1	319.281	-2.766	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](NC(=O)c2nc[nH]n2)C1	ZINC000938453311	663320499	/nfs/dbraw/zinc/32/04/99/663320499.db2.gz	RJSLENKVFKTDQD-LURJTMIESA-N	-1	1	322.285	-2.162	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](NC(=O)c2ncn[nH]2)C1	ZINC000938453311	663320503	/nfs/dbraw/zinc/32/05/03/663320503.db2.gz	RJSLENKVFKTDQD-LURJTMIESA-N	-1	1	322.285	-2.162	20	0		DAADMM
NC(=O)C(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC000938580812	663328190	/nfs/dbraw/zinc/32/81/90/663328190.db2.gz	QPJLNEXRCWOERI-QMMMGPOBSA-N	-1	1	323.309	-2.871	20	0		DAADMM
O=C(Cn1cnnn1)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1	ZINC000939330069	663351330	/nfs/dbraw/zinc/35/13/30/663351330.db2.gz	ZHEZQEXXUDYFJL-SECBINFHSA-N	-1	1	317.309	-1.195	20	0		DAADMM
O=C(NCC1CN(CCn2cncn2)C1)c1n[nH]c(=O)[n-]c1=O	ZINC001031815820	663352280	/nfs/dbraw/zinc/35/22/80/663352280.db2.gz	KUNMTWJTADOYOC-UHFFFAOYSA-N	-1	1	320.313	-1.764	20	0		DAADMM
C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC000939688475	663361447	/nfs/dbraw/zinc/36/14/47/663361447.db2.gz	PAYSYCNMEPNOSC-RKDXNWHRSA-N	-1	1	306.330	-1.262	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@@H]2CCNC2=O)nc1=O	ZINC001038595593	663382637	/nfs/dbraw/zinc/38/26/37/663382637.db2.gz	UFQLDOHGTMZYMG-RKDXNWHRSA-N	-1	1	308.342	-2.065	20	0		DAADMM
O=C(N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)[C@H]1CNC(=O)N1	ZINC000942305855	663420277	/nfs/dbraw/zinc/42/02/77/663420277.db2.gz	XNNSKISVBCPLDZ-RKDXNWHRSA-N	-1	1	319.321	-1.201	20	0		DAADMM
CO[C@@H]1CN(C(C)=O)C[C@H]1NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000943538628	663436471	/nfs/dbraw/zinc/43/64/71/663436471.db2.gz	VBUIVSPNEGAPBW-NXEZZACHSA-N	-1	1	320.309	-1.607	20	0		DAADMM
CC1(C)CN(C(=O)Cn2cnnn2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC000995419146	663441093	/nfs/dbraw/zinc/44/10/93/663441093.db2.gz	YHPQQJGPCRECBC-QMMMGPOBSA-N	-1	1	321.345	-1.476	20	0		DAADMM
C[C@H](C(N)=O)N1CC(CNC(=O)c2cc(=O)n3nc[n-]c3n2)C1	ZINC001032127754	663441343	/nfs/dbraw/zinc/44/13/43/663441343.db2.gz	FBABOMWKGYUREL-SSDOTTSWSA-N	-1	1	319.325	-2.047	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cc[nH]n2)nc1=O	ZINC001032288832	663481896	/nfs/dbraw/zinc/48/18/96/663481896.db2.gz	YESHPUWTCMAFBE-IUCAKERBSA-N	-1	1	303.326	-1.070	20	0		DAADMM
CC1(C)CN(C(=O)[C@H]2CCNC2=O)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC000996129990	663483578	/nfs/dbraw/zinc/48/35/78/663483578.db2.gz	WVFJWTJHXYNEMQ-DTWKUNHWSA-N	-1	1	322.369	-1.027	20	0		DAADMM
COCCN(CC(=O)OC)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000733980748	663489367	/nfs/dbraw/zinc/48/93/67/663489367.db2.gz	XGQHTYWVOCZQDU-UHFFFAOYSA-N	-1	1	313.310	-1.425	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCOC2)nc1=O	ZINC001032308020	663489689	/nfs/dbraw/zinc/48/96/89/663489689.db2.gz	ZAASHBLHPIULPX-VWYCJHECSA-N	-1	1	307.354	-1.070	20	0		DAADMM
O=C(NC1CN(C(=O)c2ccn[nH]2)C1)c1n[nH]c(=O)[n-]c1=O	ZINC000996744496	663491983	/nfs/dbraw/zinc/49/19/83/663491983.db2.gz	KTRJKAKVXJXUGI-UHFFFAOYSA-N	-1	1	305.254	-1.740	20	0		DAADMM
O=C(Cc1ncn[nH]1)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000996745419	663492099	/nfs/dbraw/zinc/49/20/99/663492099.db2.gz	PVUPFVRXRCOVQG-UHFFFAOYSA-N	-1	1	320.269	-2.416	20	0		DAADMM
CCN1CCO[C@@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC000734820748	663493454	/nfs/dbraw/zinc/49/34/54/663493454.db2.gz	VMCTTZYTFIOVJB-NSHDSACASA-N	-1	1	310.354	-1.236	20	0		DAADMM
C[C@H](C(=O)N1CCO[C@@H](c2nn[n-]n2)C1)N1C(=O)CCC1=O	ZINC000735526375	663497642	/nfs/dbraw/zinc/49/76/42/663497642.db2.gz	WBYUXWDVCMQFAB-HTQZYQBOSA-N	-1	1	308.298	-1.363	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cncnc2)nc1=O	ZINC001032368363	663501269	/nfs/dbraw/zinc/50/12/69/663501269.db2.gz	RLGKBMBIPDVNNC-QWRGUYRKSA-N	-1	1	315.337	-1.003	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2COC(=O)N2)nc1=O	ZINC001032384947	663503690	/nfs/dbraw/zinc/50/36/90/663503690.db2.gz	YYVRKCXGOOUDHT-XHNCKOQMSA-N	-1	1	322.325	-1.998	20	0		DAADMM
CCn1[n-]nnc1=NC(=O)N(CCN(C)C)CC(=O)N(C)C	ZINC000888321262	663504852	/nfs/dbraw/zinc/50/48/52/663504852.db2.gz	NVFNAMRYEXBHGG-UHFFFAOYSA-N	-1	1	312.378	-1.401	20	0		DAADMM
CCC[C@@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)c1nn[n-]n1	ZINC000736435383	663505059	/nfs/dbraw/zinc/50/50/59/663505059.db2.gz	GYDFRFWIYKSEPG-MRVPVSSYSA-N	-1	1	307.314	-1.132	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(NCc2cnon2)CC1	ZINC000997220374	663507324	/nfs/dbraw/zinc/50/73/24/663507324.db2.gz	AKDKILHEWSVJPE-UHFFFAOYSA-N	-1	1	323.313	-1.147	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)C(C)(C)C(N)=O)nc1=O	ZINC001032459432	663511687	/nfs/dbraw/zinc/51/16/87/663511687.db2.gz	CGOIQQCOJBXABN-IUCAKERBSA-N	-1	1	322.369	-1.595	20	0		DAADMM
O=C(NC1CN(C(=O)c2ncccc2[O-])C1)[C@@H]1CCNC1=O	ZINC000997412481	663515525	/nfs/dbraw/zinc/51/55/25/663515525.db2.gz	VSMKOHJGQNJTDK-SECBINFHSA-N	-1	1	304.306	-1.136	20	0		DAADMM
O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ncn[nH]1	ZINC000997808985	663526183	/nfs/dbraw/zinc/52/61/83/663526183.db2.gz	HVWHKQVHROJVOZ-UHFFFAOYSA-N	-1	1	306.242	-2.345	20	0		DAADMM
O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1nc[nH]n1	ZINC000997808985	663526185	/nfs/dbraw/zinc/52/61/85/663526185.db2.gz	HVWHKQVHROJVOZ-UHFFFAOYSA-N	-1	1	306.242	-2.345	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCNC2=O)nc1=O	ZINC001032559607	663527248	/nfs/dbraw/zinc/52/72/48/663527248.db2.gz	BAHJCRRSHAHUAG-LPEHRKFASA-N	-1	1	320.353	-1.970	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CNC(=O)N2)nc1=O	ZINC001032595307	663535195	/nfs/dbraw/zinc/53/51/95/663535195.db2.gz	LSDOVGWHAPXCOF-CIUDSAMLSA-N	-1	1	321.341	-2.425	20	0		DAADMM
NC(=O)C(=O)NC1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1	ZINC000998722891	663551127	/nfs/dbraw/zinc/55/11/27/663551127.db2.gz	PIESRUGUQLEOQZ-UHFFFAOYSA-N	-1	1	305.294	-1.515	20	0		DAADMM
O=C(Cn1ncnn1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000999167051	663556754	/nfs/dbraw/zinc/55/67/54/663556754.db2.gz	YPACGYWQYYIGCO-MRVPVSSYSA-N	-1	1	307.318	-1.722	20	0		DAADMM
O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1[nH]ncc1F	ZINC000999185244	663556930	/nfs/dbraw/zinc/55/69/30/663556930.db2.gz	QPMSRUBGQIHSDQ-UHFFFAOYSA-N	-1	1	323.244	-1.601	20	0		DAADMM
O=C(Cn1nccn1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000999269376	663558820	/nfs/dbraw/zinc/55/88/20/663558820.db2.gz	XZZLMVNWTYODQE-SECBINFHSA-N	-1	1	306.330	-1.117	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)c2nc[nH]n2)nc1=O	ZINC001032690693	663559106	/nfs/dbraw/zinc/55/91/06/663559106.db2.gz	SCHJPYPLSSLWMQ-YUMQZZPRSA-N	-1	1	304.314	-1.675	20	0		DAADMM
Cn1nnc(C(=O)N2CCC[C@H](NCc3n[nH]c(=O)[n-]3)C2)n1	ZINC000999918423	663569926	/nfs/dbraw/zinc/56/99/26/663569926.db2.gz	BMSOQNUZVHAAMW-ZETCQYMHSA-N	-1	1	307.318	-1.572	20	0		DAADMM
O=C([C@H]1CNC(=O)N1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001000052677	663573553	/nfs/dbraw/zinc/57/35/53/663573553.db2.gz	ZCRFDARKJRYAJU-JGVFFNPUSA-N	-1	1	309.330	-1.728	20	0		DAADMM
O=C([C@@H]1CNC(=O)N1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001000052680	663573616	/nfs/dbraw/zinc/57/36/16/663573616.db2.gz	ZCRFDARKJRYAJU-YUMQZZPRSA-N	-1	1	309.330	-1.728	20	0		DAADMM
O=C(Cc1nnc[nH]1)NC1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001000183989	663579843	/nfs/dbraw/zinc/57/98/43/663579843.db2.gz	DYYAWQHEHJJJPV-UHFFFAOYSA-N	-1	1	322.285	-2.623	20	0		DAADMM
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001000197051	663580972	/nfs/dbraw/zinc/58/09/72/663580972.db2.gz	ADSMVXCMPZKPHW-YIZRAAEISA-N	-1	1	308.342	-1.288	20	0		DAADMM
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001000197048	663581001	/nfs/dbraw/zinc/58/10/01/663581001.db2.gz	ADSMVXCMPZKPHW-HLTSFMKQSA-N	-1	1	308.342	-1.288	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CC(CNC(=O)C2CC2)C1	ZINC001000606286	663589413	/nfs/dbraw/zinc/58/94/13/663589413.db2.gz	IKXWGNCDOAVCHK-UHFFFAOYSA-N	-1	1	320.349	-1.089	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)Cn2ccnc2)nc1=O	ZINC001032815155	663602173	/nfs/dbraw/zinc/60/21/73/663602173.db2.gz	FKRBXFDGKLBDQV-QWRGUYRKSA-N	-1	1	317.353	-1.210	20	0		DAADMM
O=C(NCC1CN(C(=O)[C@@H]2CNC(=O)N2)C1)c1ncccc1[O-]	ZINC001001540433	663603208	/nfs/dbraw/zinc/60/32/08/663603208.db2.gz	DDZHAQWAYXFHSC-VIFPVBQESA-N	-1	1	319.321	-1.343	20	0		DAADMM
Cn1nnc(C(=O)N2CC(CNC(=O)c3ncccc3[O-])C2)n1	ZINC001001553500	663603446	/nfs/dbraw/zinc/60/34/46/663603446.db2.gz	UWJILWCEEYHIKE-UHFFFAOYSA-N	-1	1	317.309	-1.187	20	0		DAADMM
Cn1cnc(C(=O)NC2CCN(Cc3nc(=O)n(C)[n-]3)CC2)n1	ZINC001002740327	663618764	/nfs/dbraw/zinc/61/87/64/663618764.db2.gz	AJSQBNQSSBLTND-UHFFFAOYSA-N	-1	1	320.357	-1.369	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N1CC(CNC(=O)c2cnn[nH]2)C1	ZINC001003111736	663624192	/nfs/dbraw/zinc/62/41/92/663624192.db2.gz	KKBHQTLITAOFNG-UHFFFAOYSA-N	-1	1	322.285	-2.304	20	0		DAADMM
O=C(NC1CCN([C@@H]2CCNC2=O)CC1)c1n[nH]c(=O)[n-]c1=O	ZINC001003250879	663626858	/nfs/dbraw/zinc/62/68/58/663626858.db2.gz	LOWIGXNOJQTCEH-MRVPVSSYSA-N	-1	1	322.325	-1.635	20	0		DAADMM
CC[C@H](C(N)=O)N1CCC(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001003248188	663627028	/nfs/dbraw/zinc/62/70/28/663627028.db2.gz	FSNJSSVJSXIJHY-MRVPVSSYSA-N	-1	1	324.341	-1.259	20	0		DAADMM
Cn1nnc(C(=O)NCC2CN(C(=O)c3ncccc3[O-])C2)n1	ZINC001003710374	663637049	/nfs/dbraw/zinc/63/70/49/663637049.db2.gz	MPJIKCUWZYOGCW-UHFFFAOYSA-N	-1	1	317.309	-1.187	20	0		DAADMM
Cn1ncc(C(=O)NC2CCN(Cc3nc(=O)n(C)[n-]3)CC2)n1	ZINC001003791948	663639178	/nfs/dbraw/zinc/63/91/78/663639178.db2.gz	SICLLUVWXRMJGR-UHFFFAOYSA-N	-1	1	320.357	-1.369	20	0		DAADMM
O=C(Cc1nnc[nH]1)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001003930117	663641725	/nfs/dbraw/zinc/64/17/25/663641725.db2.gz	JASZGQAGBQPDSO-UHFFFAOYSA-N	-1	1	306.330	-1.048	20	0		DAADMM
Cn1[n-]c(CN2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)nc1=O	ZINC001003999319	663644456	/nfs/dbraw/zinc/64/44/56/663644456.db2.gz	JPWPSQSYDCKRQO-JTQLQIEISA-N	-1	1	322.369	-1.532	20	0		DAADMM
CN(C(=O)c1cn(C)nn1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033054492	663646980	/nfs/dbraw/zinc/64/69/80/663646980.db2.gz	LRIFMWIVTVHGHJ-SECBINFHSA-N	-1	1	320.357	-1.417	20	0		DAADMM
CN(C(=O)c1ncn(C)n1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033061114	663647072	/nfs/dbraw/zinc/64/70/72/663647072.db2.gz	FQKAMZHIDKPSBU-VIFPVBQESA-N	-1	1	320.357	-1.417	20	0		DAADMM
CN(C(=O)c1ncn(C)n1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033061113	663647166	/nfs/dbraw/zinc/64/71/66/663647166.db2.gz	FQKAMZHIDKPSBU-SECBINFHSA-N	-1	1	320.357	-1.417	20	0		DAADMM
CN(C(=O)Cn1ncnn1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033079079	663648036	/nfs/dbraw/zinc/64/80/36/663648036.db2.gz	TYQPZVJLRSLICS-SECBINFHSA-N	-1	1	321.345	-2.172	20	0		DAADMM
CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033429151	663661169	/nfs/dbraw/zinc/66/11/69/663661169.db2.gz	JQZUVNQHGMPNLI-AEJSXWLSSA-N	-1	1	322.369	-1.738	20	0		DAADMM
CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H]1CCN(CCO)C1	ZINC001033510889	663661842	/nfs/dbraw/zinc/66/18/42/663661842.db2.gz	ZHZZGVPXRUKILO-SNVBAGLBSA-N	-1	1	320.353	-1.404	20	0		DAADMM
CN(C(=O)Cc1nnc[nH]1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033567169	663663208	/nfs/dbraw/zinc/66/32/08/663663208.db2.gz	WMQCPHCZZTWJQX-VIFPVBQESA-N	-1	1	320.357	-1.498	20	0		DAADMM
CCN(C(=O)c1cn[nH]n1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033886743	663668049	/nfs/dbraw/zinc/66/80/49/663668049.db2.gz	CJISRJBLHJFQPT-VIFPVBQESA-N	-1	1	320.357	-1.037	20	0		DAADMM
CC(=O)N[C@@H](C)C1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001005554693	663671806	/nfs/dbraw/zinc/67/18/06/663671806.db2.gz	LLPPAMSEGFREHR-VIFPVBQESA-N	-1	1	308.338	-1.090	20	0		DAADMM
O=C(CN1CN=NC1=O)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001034912774	663675299	/nfs/dbraw/zinc/67/52/99/663675299.db2.gz	CSOJKXYCSJHDGM-MRVPVSSYSA-N	-1	1	322.329	-1.412	20	0		DAADMM
O=C(c1c[nH]c(=O)cn1)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001035029615	663676344	/nfs/dbraw/zinc/67/63/44/663676344.db2.gz	QOMHCHOLEJKPMS-MRVPVSSYSA-N	-1	1	319.325	-1.012	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@H](CNC(=O)c3ccon3)C2)nc1=O	ZINC001035307597	663678439	/nfs/dbraw/zinc/67/84/39/663678439.db2.gz	WQILLFZWULPSCW-SECBINFHSA-N	-1	1	322.325	-1.273	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@H](CNC(=O)c3cocn3)C2)nc1=O	ZINC001035310584	663679059	/nfs/dbraw/zinc/67/90/59/663679059.db2.gz	RQDBUAMZGYUUHL-SECBINFHSA-N	-1	1	322.325	-1.273	20	0		DAADMM
O=C(CCN1C(=O)CCC1=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC000738301680	663792690	/nfs/dbraw/zinc/79/26/90/663792690.db2.gz	RIFNZUDCHKSWMP-QMMMGPOBSA-N	-1	1	308.298	-1.361	20	0		DAADMM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(=O)O1	ZINC000748861608	663801112	/nfs/dbraw/zinc/80/11/12/663801112.db2.gz	CIGYVNWLULXFSZ-RQJHMYQMSA-N	-1	1	317.323	-1.934	20	0		DAADMM
O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NN1CC(=O)[N-]C1=O	ZINC000752693207	663803932	/nfs/dbraw/zinc/80/39/32/663803932.db2.gz	DRGWBCHOVRPIRF-YUMQZZPRSA-N	-1	1	308.294	-1.255	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCN2CCOC[C@H]2C1	ZINC000754463867	663804984	/nfs/dbraw/zinc/80/49/84/663804984.db2.gz	DABUHJWBQVYSBN-LLVKDONJSA-N	-1	1	308.338	-1.530	20	0		DAADMM
CCOC(=O)[C@H](CO)[N-]S(=O)(=O)N(C)C1CCOCC1	ZINC000758505765	663807724	/nfs/dbraw/zinc/80/77/24/663807724.db2.gz	XOMFTCVLYDENJK-JTQLQIEISA-N	-1	1	310.372	-1.144	20	0		DAADMM
COC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)C(N)=O	ZINC000758483528	663807900	/nfs/dbraw/zinc/80/79/00/663807900.db2.gz	MFJJRKFVEWXANX-ZCFIWIBFSA-N	-1	1	306.296	-1.155	20	0		DAADMM
Cc1cc(O)cc(=O)n1CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC000759783776	663808680	/nfs/dbraw/zinc/80/86/80/663808680.db2.gz	KDXBQDITTHUQCY-SNVBAGLBSA-N	-1	1	320.309	-1.024	20	0		DAADMM
Cn1[n-]c(COC(=O)CS(=O)(=O)NC(C)(C)C)nc1=O	ZINC000765472346	663813185	/nfs/dbraw/zinc/81/31/85/663813185.db2.gz	DJNQAZUIYKWUDQ-UHFFFAOYSA-N	-1	1	306.344	-1.131	20	0		DAADMM
CNS(=O)(=O)c1ccc(C(=O)OCc2nc(=O)n(C)[n-]2)o1	ZINC000765441253	663813352	/nfs/dbraw/zinc/81/33/52/663813352.db2.gz	UZYMRANMYHMXJO-UHFFFAOYSA-N	-1	1	316.295	-1.034	20	0		DAADMM
COCCN1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1=O	ZINC000768877687	663814790	/nfs/dbraw/zinc/81/47/90/663814790.db2.gz	JVUSRPYMKUHLLG-UHFFFAOYSA-N	-1	1	324.337	-1.756	20	0		DAADMM
CCOC(=O)[C@](C)(O)CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000768726326	663815339	/nfs/dbraw/zinc/81/53/39/663815339.db2.gz	XOPFSVICCUNNER-CYBMUJFWSA-N	-1	1	313.310	-1.643	20	0		DAADMM
C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)[C@@H]1CN(C)CCO1	ZINC000770335263	663816955	/nfs/dbraw/zinc/81/69/55/663816955.db2.gz	LGPYZZAIRONZPJ-MNOVXSKESA-N	-1	1	310.354	-1.238	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@@H](OCCO)C1	ZINC000771784875	663818406	/nfs/dbraw/zinc/81/84/06/663818406.db2.gz	SBBFLFKNDPILLL-LLVKDONJSA-N	-1	1	311.338	-1.073	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC2OCCCO2)c(=O)n(C)c1=O	ZINC000788416881	663831860	/nfs/dbraw/zinc/83/18/60/663831860.db2.gz	MFSDIDBCQLVWQA-UHFFFAOYSA-N	-1	1	319.339	-1.875	20	0		DAADMM
C[C@H](O)C[N@H+]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@@H](C)C1	ZINC000793875648	663835226	/nfs/dbraw/zinc/83/52/26/663835226.db2.gz	UALBBLRAJSAABK-RYUDHWBXSA-N	-1	1	324.381	-1.160	20	0		DAADMM
NC(=O)CN1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@H]21	ZINC001036762828	663842342	/nfs/dbraw/zinc/84/23/42/663842342.db2.gz	POMNKUDARKCIJC-JGVFFNPUSA-N	-1	1	322.325	-1.696	20	0		DAADMM
CN1CN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC1=O	ZINC000806980054	663846054	/nfs/dbraw/zinc/84/60/54/663846054.db2.gz	JLMIDQFQSMDCNE-UHFFFAOYSA-N	-1	1	302.294	-1.462	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2COC(=O)C2)c(=O)n(C)c1=O	ZINC000820719702	663858802	/nfs/dbraw/zinc/85/88/02/663858802.db2.gz	AEWICJWWDZFGBZ-LURJTMIESA-N	-1	1	303.296	-2.322	20	0		DAADMM
CCC[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)OC	ZINC000825241912	663864267	/nfs/dbraw/zinc/86/42/67/663864267.db2.gz	DHKOYBNBUDEGEW-SSDOTTSWSA-N	-1	1	308.302	-1.084	20	0		DAADMM
CCOC(=O)c1cnn(CCC(=O)NC(N)=O)c1-c1nn[n-]n1	ZINC000825570959	663864791	/nfs/dbraw/zinc/86/47/91/663864791.db2.gz	PENJLIWOJKOQLX-UHFFFAOYSA-N	-1	1	322.285	-1.175	20	0		DAADMM
CCOC(=O)[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000825492087	663865168	/nfs/dbraw/zinc/86/51/68/663865168.db2.gz	CZGCCMHZRGYYTR-SECBINFHSA-N	-1	1	306.282	-1.085	20	0		DAADMM
CCOC(=O)[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000825492087	663865169	/nfs/dbraw/zinc/86/51/69/663865169.db2.gz	CZGCCMHZRGYYTR-SECBINFHSA-N	-1	1	306.282	-1.085	20	0		DAADMM
CN1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC1=O	ZINC000826044239	663865472	/nfs/dbraw/zinc/86/54/72/663865472.db2.gz	DHWCEEMIWORECW-UHFFFAOYSA-N	-1	1	306.286	-2.500	20	0		DAADMM
COCCCOCCN(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000826156391	663866010	/nfs/dbraw/zinc/86/60/10/663866010.db2.gz	BARXOKXXDYZIPS-UHFFFAOYSA-N	-1	1	324.345	-1.030	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NCCn2ccnn2)n(C)c1=O	ZINC000826355657	663866232	/nfs/dbraw/zinc/86/62/32/663866232.db2.gz	IOTWHLQYNRNFKI-UHFFFAOYSA-N	-1	1	318.301	-2.032	20	0		DAADMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCSC[C@H]1CCO	ZINC000826424737	663866323	/nfs/dbraw/zinc/86/63/23/663866323.db2.gz	APAZPIAIEMLOFR-MRVPVSSYSA-N	-1	1	324.370	-1.215	20	0		DAADMM
O=S(=O)(NCCn1ccnn1)c1ccc(-c2nnn[n-]2)nc1	ZINC000826491375	663866383	/nfs/dbraw/zinc/86/63/83/663866383.db2.gz	GWLDHGGYPMJCAN-UHFFFAOYSA-N	-1	1	321.326	-1.168	20	0		DAADMM
O=S(=O)(NCCn1ccnn1)c1ccc(-c2nn[n-]n2)nc1	ZINC000826491375	663866387	/nfs/dbraw/zinc/86/63/87/663866387.db2.gz	GWLDHGGYPMJCAN-UHFFFAOYSA-N	-1	1	321.326	-1.168	20	0		DAADMM
C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC000834416277	663874604	/nfs/dbraw/zinc/87/46/04/663874604.db2.gz	GCQMNDPZJPLKJF-QMMMGPOBSA-N	-1	1	316.321	-1.073	20	0		DAADMM
CS(=O)(=O)CCS(=O)(=O)[N-][C@H]1CNCCC1(F)F	ZINC000842893685	663877953	/nfs/dbraw/zinc/87/79/53/663877953.db2.gz	KYYNWDAWUAGUIC-ZETCQYMHSA-N	-1	1	306.356	-1.052	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@]2(C(N)=O)CCOC2)nc1Cl	ZINC000848503934	663892264	/nfs/dbraw/zinc/89/22/64/663892264.db2.gz	VURLVPBKSRLSSS-VIFPVBQESA-N	-1	1	308.747	-1.004	20	0		DAADMM
COC[C@H]([N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1)C(N)=O	ZINC000851775176	663896763	/nfs/dbraw/zinc/89/67/63/663896763.db2.gz	OERIMVQPTMSMIQ-JQWIXIFHSA-N	-1	1	324.399	-1.010	20	0		DAADMM
O=C(/C=C\CN1CCOCC1)N1CCO[C@H](c2nn[n-]n2)C1	ZINC000865596196	663930753	/nfs/dbraw/zinc/93/07/53/663930753.db2.gz	VKGCQLKKIJGNEN-BVBSBALXSA-N	-1	1	308.342	-1.012	20	0		DAADMM
CO[C@H]1C[C@H](C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1	ZINC000882592073	663960075	/nfs/dbraw/zinc/96/00/75/663960075.db2.gz	XJJKXSYKLUPTAY-KYZUINATSA-N	-1	1	317.367	-1.213	20	0		DAADMM
O=C(N[C@H]1CCCN(CCN2CCOCC2)C1)c1cc(=O)[nH][n-]1	ZINC000882632138	663960095	/nfs/dbraw/zinc/96/00/95/663960095.db2.gz	NZYDNUFTLAXWJB-LBPRGKRZSA-N	-1	1	323.397	-1.225	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@]23C[C@H]2COC3)c(=O)n(C)c1=O	ZINC000885496485	663969834	/nfs/dbraw/zinc/96/98/34/663969834.db2.gz	SAEBZBJPUJOBEF-CPCISQLKSA-N	-1	1	301.324	-1.849	20	0		DAADMM
CO[N-]C(=O)CNC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000927211842	663985284	/nfs/dbraw/zinc/98/52/84/663985284.db2.gz	ORJVXJFQKASHLT-GHMZBOCLSA-N	-1	1	300.359	-1.095	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)C[C@H]3CCNC3=O)CC2)nc1=O	ZINC000948733088	664020602	/nfs/dbraw/zinc/02/06/02/664020602.db2.gz	BMPJNOMJZIIPSN-SNVBAGLBSA-N	-1	1	322.369	-1.721	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)nc1=O	ZINC000949718847	664043797	/nfs/dbraw/zinc/04/37/97/664043797.db2.gz	DPDRDBMRFDZHDY-JTQLQIEISA-N	-1	1	322.369	-1.627	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@@]3(F)CCOC3)CC2)nc1=O	ZINC000949856824	664046392	/nfs/dbraw/zinc/04/63/92/664046392.db2.gz	ZKDVXVRLJTUTSC-CYBMUJFWSA-N	-1	1	313.333	-1.119	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@]3(F)CCOC3)CC2)nc1=O	ZINC000949856825	664046790	/nfs/dbraw/zinc/04/67/90/664046790.db2.gz	ZKDVXVRLJTUTSC-ZDUSSCGKSA-N	-1	1	313.333	-1.119	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@@]3(C)CCNC3=O)CC2)nc1=O	ZINC000950466871	664056387	/nfs/dbraw/zinc/05/63/87/664056387.db2.gz	MTTRXLDIAZJCIZ-AWEZNQCLSA-N	-1	1	322.369	-1.721	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)nc1=O	ZINC000950531552	664058406	/nfs/dbraw/zinc/05/84/06/664058406.db2.gz	PUVRIILDLXGUEY-BDAKNGLRSA-N	-1	1	308.342	-2.126	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]1CNC(=O)c1nc[nH]n1	ZINC000951586538	664085222	/nfs/dbraw/zinc/08/52/22/664085222.db2.gz	HMWNRMWBSIXNNU-LURJTMIESA-N	-1	1	322.285	-2.162	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H]1CNC(=O)c1ncn[nH]1	ZINC000951586538	664085224	/nfs/dbraw/zinc/08/52/24/664085224.db2.gz	HMWNRMWBSIXNNU-LURJTMIESA-N	-1	1	322.285	-2.162	20	0		DAADMM
Cn1nnc(C(=O)NC[C@H]2CCN2C(=O)c2ncccc2[O-])n1	ZINC000951619310	664087557	/nfs/dbraw/zinc/08/75/57/664087557.db2.gz	BMXNHOIVGPKOQL-MRVPVSSYSA-N	-1	1	317.309	-1.045	20	0		DAADMM
C[C@@H](C(N)=O)N1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC000951777178	664094196	/nfs/dbraw/zinc/09/41/96/664094196.db2.gz	AMSOCJHCQGDUCO-JTQLQIEISA-N	-1	1	323.353	-2.055	20	0		DAADMM
NC(=O)CN1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC000951777248	664094402	/nfs/dbraw/zinc/09/44/02/664094402.db2.gz	DPCLIKFNFFLJNF-UHFFFAOYSA-N	-1	1	309.326	-2.444	20	0		DAADMM
O=C(NC[C@@H]1CCN1C(=O)c1ncccc1[O-])[C@@H]1CNC(=O)N1	ZINC000951878270	664101833	/nfs/dbraw/zinc/10/18/33/664101833.db2.gz	NHVPEOQCGKUNTH-IUCAKERBSA-N	-1	1	319.321	-1.201	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)c3cccnn3)CC2)nc1=O	ZINC000952374701	664110498	/nfs/dbraw/zinc/11/04/98/664110498.db2.gz	UWVXMZQFTWMSCQ-UHFFFAOYSA-N	-1	1	303.326	-1.144	20	0		DAADMM
CN(C(=O)c1nnn(C)n1)C1CN(C(=O)c2ncccc2[O-])C1	ZINC000955028005	664167189	/nfs/dbraw/zinc/16/71/89/664167189.db2.gz	CKFCKTFNAYYYNX-UHFFFAOYSA-N	-1	1	317.309	-1.093	20	0		DAADMM
CCN(C(=O)c1cc(=O)n2[n-]cnc2n1)C1CN(CCCO)C1	ZINC000957134457	664205877	/nfs/dbraw/zinc/20/58/77/664205877.db2.gz	OMUFTOHPOARBNG-UHFFFAOYSA-N	-1	1	320.353	-1.054	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)nc1=O	ZINC000957391201	664211379	/nfs/dbraw/zinc/21/13/79/664211379.db2.gz	OOIJZERIGPTEBF-VIFPVBQESA-N	-1	1	308.342	-1.969	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@@H](CNC(=O)C3CCC3)C2)nc1=O	ZINC000957797125	664218729	/nfs/dbraw/zinc/21/87/29/664218729.db2.gz	CEVRJULMAHKFSP-WDEREUQCSA-N	-1	1	309.370	-1.183	20	0		DAADMM
Cn1[n-]c(CN2C[C@H](O)[C@@H](CNC(=O)C3CCC3)C2)nc1=O	ZINC000957797124	664219062	/nfs/dbraw/zinc/21/90/62/664219062.db2.gz	CEVRJULMAHKFSP-QWRGUYRKSA-N	-1	1	309.370	-1.183	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)Cn3ccnc3)CC2)nc1=O	ZINC000957899507	664223239	/nfs/dbraw/zinc/22/32/39/664223239.db2.gz	FTHRESLNVOGRCB-UHFFFAOYSA-N	-1	1	305.342	-1.351	20	0		DAADMM
Cn1[n-]c(CN2C[C@H](O)[C@@H](CNC(=O)c3cocn3)C2)nc1=O	ZINC000957926015	664226835	/nfs/dbraw/zinc/22/68/35/664226835.db2.gz	JVHSQWNPPZSHKM-WPRPVWTQSA-N	-1	1	322.325	-1.681	20	0		DAADMM
CNC(=O)CN1C[C@@H](O)[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC000957992555	664229202	/nfs/dbraw/zinc/22/92/02/664229202.db2.gz	XRZAERHUIMOUIV-GXSJLCMTSA-N	-1	1	308.338	-1.444	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@@H](CNC(=O)c3cc[nH]c3)C2)nc1=O	ZINC000958086454	664237030	/nfs/dbraw/zinc/23/70/30/664237030.db2.gz	UVZGTQFYQZDNLJ-WDEREUQCSA-N	-1	1	320.353	-1.341	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cocn2)nc1=O	ZINC000958392449	664264061	/nfs/dbraw/zinc/26/40/61/664264061.db2.gz	LMCJMRAAAZJDKQ-VROVMSAKSA-N	-1	1	304.310	-1.043	20	0		DAADMM
O=C(NC[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ncn[n-]1	ZINC000958503808	664274538	/nfs/dbraw/zinc/27/45/38/664274538.db2.gz	SWASPIOGRSAFAL-RNFRBKRXSA-N	-1	1	308.302	-2.149	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](CNC(=O)c3cnon3)[C@H](O)C2)nc1=O	ZINC000958510961	664275739	/nfs/dbraw/zinc/27/57/39/664275739.db2.gz	CLMBFYINIKOGFQ-VXNVDRBHSA-N	-1	1	323.313	-2.286	20	0		DAADMM
Cn1cnc(C(=O)N[C@@H]2[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]32)c1	ZINC000958564835	664278898	/nfs/dbraw/zinc/27/88/98/664278898.db2.gz	AFLKWSSHAUSREU-GDGBQDQQSA-N	-1	1	317.353	-1.298	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2COC(=O)N2)nc1=O	ZINC000958746783	664291221	/nfs/dbraw/zinc/29/12/21/664291221.db2.gz	KNDDZTLCXKHPOA-JIOCBJNQSA-N	-1	1	322.325	-2.237	20	0		DAADMM
Cn1cc(C(=O)N[C@@H]2[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]32)nn1	ZINC000958757503	664292230	/nfs/dbraw/zinc/29/22/30/664292230.db2.gz	YUSKAJBNPMXRQW-VROVMSAKSA-N	-1	1	318.341	-1.903	20	0		DAADMM
Cc1nc(CC(=O)N[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)n[nH]1	ZINC000958816649	664293871	/nfs/dbraw/zinc/29/38/71/664293871.db2.gz	PQTRQWKJZXSINZ-JDICNCQASA-N	-1	1	318.341	-1.274	20	0		DAADMM
CC(=O)N1C[C@@H]2CN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@@H]2C1	ZINC000959771190	664311128	/nfs/dbraw/zinc/31/11/28/664311128.db2.gz	YKEGOINWHONSOY-AOOOYVTPSA-N	-1	1	316.321	-1.032	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@H]1CCCN1C(=O)CC(N)=O	ZINC000960495930	664320719	/nfs/dbraw/zinc/32/07/19/664320719.db2.gz	DMADCKYWHUMDMV-SECBINFHSA-N	-1	1	310.358	-1.593	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@@H]1CCCN1C(=O)c1cn[nH]n1	ZINC000960726539	664324008	/nfs/dbraw/zinc/32/40/08/664324008.db2.gz	WNANBKBAGSJBMI-VIFPVBQESA-N	-1	1	320.357	-1.037	20	0		DAADMM
NC(=O)C(=O)N1CCO[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]21	ZINC000960861234	664326544	/nfs/dbraw/zinc/32/65/44/664326544.db2.gz	PXBLVXQOVVWDRH-WCBMZHEXSA-N	-1	1	320.305	-1.676	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@H]1CCCN1C(=O)c1nc[nH]n1	ZINC000960924508	664328249	/nfs/dbraw/zinc/32/82/49/664328249.db2.gz	QIJHCBDAWPVEJK-SECBINFHSA-N	-1	1	320.357	-1.037	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCNC2=O)nc1=O	ZINC000961455378	664341518	/nfs/dbraw/zinc/34/15/18/664341518.db2.gz	UCVNGQVPOINVRL-WYOJIJJFSA-N	-1	1	320.353	-2.209	20	0		DAADMM
C[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc([O-])n(C)c1=O	ZINC000961459626	664342281	/nfs/dbraw/zinc/34/22/81/664342281.db2.gz	OOGNGEQUYDURIS-BEYHFKMWSA-N	-1	1	321.337	-1.980	20	0		DAADMM
C[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc([O-])n(C)c1=O	ZINC000961459636	664342414	/nfs/dbraw/zinc/34/24/14/664342414.db2.gz	OOGNGEQUYDURIS-PRQTWWFRSA-N	-1	1	321.337	-1.980	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)N2)nc1=O	ZINC000961632712	664348865	/nfs/dbraw/zinc/34/88/65/664348865.db2.gz	WIIOCUJFUMTSQA-PYHGXSLLSA-N	-1	1	321.341	-2.664	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnon2)nc1=O	ZINC000962106022	664367877	/nfs/dbraw/zinc/36/78/77/664367877.db2.gz	CVPDPGRJJWBRLR-MTBHXBHISA-N	-1	1	305.298	-1.648	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)N2)nc1=O	ZINC000962348266	664373519	/nfs/dbraw/zinc/37/35/19/664373519.db2.gz	SYXJJNCYRJRNEM-KIKITERTSA-N	-1	1	320.353	-2.067	20	0		DAADMM
NC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)c1ncccc1[O-]	ZINC000964159821	664402531	/nfs/dbraw/zinc/40/25/31/664402531.db2.gz	SXMBAUYCVLKNAT-SECBINFHSA-N	-1	1	322.321	-1.380	20	0		DAADMM
NC(=O)C(=O)N1CC2(C1)CN(C(=O)c1ncccc1[O-])CCO2	ZINC000965362312	664420476	/nfs/dbraw/zinc/42/04/76/664420476.db2.gz	YJAIHRIXXOAALS-UHFFFAOYSA-N	-1	1	320.305	-1.674	20	0		DAADMM
NC(=O)C(=O)N[C@H]1COC2(CN(C(=O)c3ncccc3[O-])C2)C1	ZINC000965796784	664433633	/nfs/dbraw/zinc/43/36/33/664433633.db2.gz	PAQZBQOXTBHXLT-MRVPVSSYSA-N	-1	1	320.305	-1.628	20	0		DAADMM
CC(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@@H]1C	ZINC000966593718	664447200	/nfs/dbraw/zinc/44/72/00/664447200.db2.gz	PMZUSNIYXJVQHM-GXSJLCMTSA-N	-1	1	308.338	-1.090	20	0		DAADMM
O=C([C@H]1CCNC(=O)C1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000968391584	664476473	/nfs/dbraw/zinc/47/64/73/664476473.db2.gz	MQOFVQZCVUMSLT-DTWKUNHWSA-N	-1	1	308.342	-1.273	20	0		DAADMM
CN1CCOC[C@@H]1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000968459429	664478699	/nfs/dbraw/zinc/47/86/99/664478699.db2.gz	GJAPRPSNAOXCKW-NXEZZACHSA-N	-1	1	310.358	-1.469	20	0		DAADMM
Cn1cc(C(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)cn1	ZINC000968694223	664482425	/nfs/dbraw/zinc/48/24/25/664482425.db2.gz	CCOLEVNKWMCXLW-ZJUUUORDSA-N	-1	1	305.298	-1.847	20	0		DAADMM
Cc1c(C(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)nnn1C	ZINC000968694215	664482522	/nfs/dbraw/zinc/48/25/22/664482522.db2.gz	BWDGDFIRDLTJCT-BDAKNGLRSA-N	-1	1	320.313	-2.143	20	0		DAADMM
O=C(N[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@@H]1O)c1cnn[nH]1	ZINC000968694107	664482782	/nfs/dbraw/zinc/48/27/82/664482782.db2.gz	AEZUGDMHQLQXQC-SFGNSQDASA-N	-1	1	322.325	-2.368	20	0		DAADMM
Cn1oc(C(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)cc1=O	ZINC000968694204	664482815	/nfs/dbraw/zinc/48/28/15/664482815.db2.gz	BJLXEMALMGQVNN-SFYZADRCSA-N	-1	1	322.281	-2.288	20	0		DAADMM
O=C([C@H]1CCCC(=O)N1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000969026361	664489559	/nfs/dbraw/zinc/48/95/59/664489559.db2.gz	AXEDOTJMGVPXMO-RKDXNWHRSA-N	-1	1	308.342	-1.131	20	0		DAADMM
CCC(=O)N1C[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H](O)C1	ZINC000969056402	664489958	/nfs/dbraw/zinc/48/99/58/664489958.db2.gz	KDVYTGIQKMMTLZ-BDAKNGLRSA-N	-1	1	320.309	-1.871	20	0		DAADMM
Cn1nnc(C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)n1	ZINC001038610394	664493903	/nfs/dbraw/zinc/49/39/03/664493903.db2.gz	JXKXVCCEEFNYTM-ZETCQYMHSA-N	-1	1	307.318	-2.364	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)nc1=O	ZINC001008173634	664499164	/nfs/dbraw/zinc/49/91/64/664499164.db2.gz	AYPGSLKRAWWWPD-ZJUUUORDSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1ncc(C(=O)N[C@@H]2CCCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001008864835	664504595	/nfs/dbraw/zinc/50/45/95/664504595.db2.gz	YBVAYSZYAYHFCZ-SECBINFHSA-N	-1	1	320.357	-1.369	20	0		DAADMM
C[C@@H](NC(=O)c1ncccc1[O-])[C@H]1CN(C(=O)C(N)=O)CCO1	ZINC001009750384	664511093	/nfs/dbraw/zinc/51/10/93/664511093.db2.gz	WBEUNQRYBPBZAE-PSASIEDQSA-N	-1	1	322.321	-1.382	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)C3=COCCO3)C2)nc1=O	ZINC001010001913	664511985	/nfs/dbraw/zinc/51/19/85/664511985.db2.gz	YEEUVXJGTKRPBB-SECBINFHSA-N	-1	1	309.326	-1.313	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3cnsn3)C2)nc1=O	ZINC001010320737	664514753	/nfs/dbraw/zinc/51/47/53/664514753.db2.gz	YYBDHEMQLAHDNL-SSDOTTSWSA-N	-1	1	309.355	-1.036	20	0		DAADMM
Cn1nccc1C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001010357909	664514818	/nfs/dbraw/zinc/51/48/18/664514818.db2.gz	MVMYKDGOGFPEMG-SECBINFHSA-N	-1	1	305.342	-1.154	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)Cc3cc[nH]n3)C2)nc1=O	ZINC001010404015	664515326	/nfs/dbraw/zinc/51/53/26/664515326.db2.gz	FXXPGGSCHCHJMS-JTQLQIEISA-N	-1	1	305.342	-1.235	20	0		DAADMM
Cn1cnc(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC001010554402	664516375	/nfs/dbraw/zinc/51/63/75/664516375.db2.gz	XHPOJGNEUBNKIU-VIFPVBQESA-N	-1	1	305.342	-1.154	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)nc1=O	ZINC001010494198	664516463	/nfs/dbraw/zinc/51/64/63/664516463.db2.gz	BJBZICQNGZUATM-NXEZZACHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)C[C@H]3COC(=O)C3)C2)nc1=O	ZINC001010570344	664516626	/nfs/dbraw/zinc/51/66/26/664516626.db2.gz	LBUPMCKYPMASPB-NXEZZACHSA-N	-1	1	323.353	-1.248	20	0		DAADMM
C[C@H](C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1)n1cncn1	ZINC001010684416	664517799	/nfs/dbraw/zinc/51/77/99/664517799.db2.gz	SWYCRFXJCAQPDA-NXEZZACHSA-N	-1	1	320.357	-1.348	20	0		DAADMM
NC(=O)C(=O)N1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC001011638085	664532080	/nfs/dbraw/zinc/53/20/80/664532080.db2.gz	YSWJWSRNTIZVIY-UHFFFAOYSA-N	-1	1	319.281	-2.813	20	0		DAADMM
CN1C[C@@H](C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)CC1=O	ZINC001014618667	664556188	/nfs/dbraw/zinc/55/61/88/664556188.db2.gz	RYPHADFBOBFAHC-VHSXEESVSA-N	-1	1	322.369	-1.723	20	0		DAADMM
O=C(N[C@@H]1CCN(CCn2cccn2)C1)c1n[nH]c(=O)[n-]c1=O	ZINC001015109011	664560569	/nfs/dbraw/zinc/56/05/69/664560569.db2.gz	GRBSESPPLFBVRH-SECBINFHSA-N	-1	1	319.325	-1.016	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)nc1=O	ZINC001015549826	664564354	/nfs/dbraw/zinc/56/43/54/664564354.db2.gz	CLXTVIQSDIGBRY-UXCLJVHYSA-N	-1	1	307.354	-1.309	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)nc1=O	ZINC001015549816	664564520	/nfs/dbraw/zinc/56/45/20/664564520.db2.gz	CLXTVIQSDIGBRY-SVDPJWKOSA-N	-1	1	307.354	-1.309	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@]3(F)CCOC3)C2)nc1=O	ZINC001015607227	664565588	/nfs/dbraw/zinc/56/55/88/664565588.db2.gz	INEAWGDJKNIKFV-RNCFNFMXSA-N	-1	1	313.333	-1.073	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@]3(C)CCC(=O)N3)C2)nc1=O	ZINC001015662037	664566825	/nfs/dbraw/zinc/56/68/25/664566825.db2.gz	JDGNMSZJOBJZES-XPTSAGLGSA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@]3(C)CCNC3=O)C2)nc1=O	ZINC001015695730	664567041	/nfs/dbraw/zinc/56/70/41/664567041.db2.gz	OBPRLZZCBPGBCH-YMTOWFKASA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)Cc3c[nH]cn3)C2)nc1=O	ZINC001015766294	664567414	/nfs/dbraw/zinc/56/74/14/664567414.db2.gz	WIYFZABTYYIXQQ-VIFPVBQESA-N	-1	1	305.342	-1.235	20	0		DAADMM
C[C@H](O)CN1CC[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001015865152	664568848	/nfs/dbraw/zinc/56/88/48/664568848.db2.gz	RIOMQRSZGBTHIY-VHSXEESVSA-N	-1	1	320.353	-1.358	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3ccncn3)C2)nc1=O	ZINC001015873772	664569622	/nfs/dbraw/zinc/56/96/22/664569622.db2.gz	KKZLNGKBMYXVRL-VIFPVBQESA-N	-1	1	303.326	-1.097	20	0		DAADMM
CCn1cc(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001015916655	664569839	/nfs/dbraw/zinc/56/98/39/664569839.db2.gz	OOAMDQRKTGXRDW-VIFPVBQESA-N	-1	1	320.357	-1.276	20	0		DAADMM
NC(=O)CN1CC[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001015993653	664570659	/nfs/dbraw/zinc/57/06/59/664570659.db2.gz	YUQIYTRKNCCWSX-SSDOTTSWSA-N	-1	1	305.298	-2.293	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)Cn3cncn3)C2)nc1=O	ZINC001016185879	664571504	/nfs/dbraw/zinc/57/15/04/664571504.db2.gz	XPVIOUQBLHFGAL-SECBINFHSA-N	-1	1	306.330	-1.909	20	0		DAADMM
Cc1nonc1C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001016409752	664574377	/nfs/dbraw/zinc/57/43/77/664574377.db2.gz	CEZUPYHTTMQUCJ-QMMMGPOBSA-N	-1	1	307.314	-1.196	20	0		DAADMM
NC(=O)CN1CCC2(C[C@@H]2NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001016708946	664576672	/nfs/dbraw/zinc/57/66/72/664576672.db2.gz	KARZRGJXTXSSHD-ZETCQYMHSA-N	-1	1	322.325	-1.648	20	0		DAADMM
CN1CCO[C@@H](C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)C1	ZINC001018664287	664588634	/nfs/dbraw/zinc/58/86/34/664588634.db2.gz	BKJSUIFQYPPANH-VHSXEESVSA-N	-1	1	310.358	-1.469	20	0		DAADMM
CN1CCO[C@H](C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)C1	ZINC001018664282	664588764	/nfs/dbraw/zinc/58/87/64/664588764.db2.gz	BKJSUIFQYPPANH-UWVGGRQHSA-N	-1	1	310.358	-1.469	20	0		DAADMM
CN1C[C@@H](C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)CC1=O	ZINC001018934213	664591513	/nfs/dbraw/zinc/59/15/13/664591513.db2.gz	IXFFUVDOAXOCSR-IUCAKERBSA-N	-1	1	308.342	-1.321	20	0		DAADMM
O=C(CN1CCNC(=O)C1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019234679	664596369	/nfs/dbraw/zinc/59/63/69/664596369.db2.gz	PEEKDDJYDXFCDT-VIFPVBQESA-N	-1	1	323.357	-2.367	20	0		DAADMM
Cn1c(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)c[nH]c1=O	ZINC001019236839	664596390	/nfs/dbraw/zinc/59/63/90/664596390.db2.gz	FMQCALUGBVPGKG-ZETCQYMHSA-N	-1	1	307.314	-1.046	20	0		DAADMM
C[C@@]1(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)CCC(=O)N1	ZINC001019340685	664598949	/nfs/dbraw/zinc/59/89/49/664598949.db2.gz	BFPMXVBAWOTVOC-SDBXPKJASA-N	-1	1	308.342	-1.131	20	0		DAADMM
Cn1ncc(CCC(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)n1	ZINC001019392914	664601089	/nfs/dbraw/zinc/60/10/89/664601089.db2.gz	VRHDNTYHKDFODW-JTQLQIEISA-N	-1	1	320.357	-1.038	20	0		DAADMM
NC(=O)c1c[nH]c(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)c1	ZINC001019569229	664602715	/nfs/dbraw/zinc/60/27/15/664602715.db2.gz	GNDRDQWVONVCTD-QMMMGPOBSA-N	-1	1	319.325	-1.058	20	0		DAADMM
NC(=O)C(=O)N1CCCO[C@H](CNC(=O)c2ncccc2[O-])C1	ZINC001019573613	664603241	/nfs/dbraw/zinc/60/32/41/664603241.db2.gz	LDJVFOZJQQYIHM-SECBINFHSA-N	-1	1	322.321	-1.380	20	0		DAADMM
Cn1cc(CCC(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)nn1	ZINC001019884104	664605970	/nfs/dbraw/zinc/60/59/70/664605970.db2.gz	VHUJEPNERRKMME-VIFPVBQESA-N	-1	1	320.357	-1.038	20	0		DAADMM
O=C(N[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C1)C1CS(=O)(=O)C1	ZINC001020194162	664610188	/nfs/dbraw/zinc/61/01/88/664610188.db2.gz	CCNCSQVKTNZKPH-ZKCHVHJHSA-N	-1	1	315.355	-1.708	20	0		DAADMM
Cc1nnc(CN[C@H]2C[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)[nH]1	ZINC001020353149	664611787	/nfs/dbraw/zinc/61/17/87/664611787.db2.gz	RELWCSMVVDSDGK-LJGSYFOKSA-N	-1	1	320.313	-1.240	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)c2cn[nH]c(=O)c2)nc1=O	ZINC001038382257	664612544	/nfs/dbraw/zinc/61/25/44/664612544.db2.gz	PCCYSNGLZXSGRL-VIFPVBQESA-N	-1	1	319.325	-1.392	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@H]2CCCC(=O)N2)nc1=O	ZINC001038388944	664612997	/nfs/dbraw/zinc/61/29/97/664612997.db2.gz	QLXKDMIUBMIVSB-VHSXEESVSA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cc1nn[nH]c1C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001038579558	664614672	/nfs/dbraw/zinc/61/46/72/664614672.db2.gz	PHBOGDMCAUZENG-MRVPVSSYSA-N	-1	1	306.330	-1.461	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)c2ccncn2)nc1=O	ZINC001038820530	664617503	/nfs/dbraw/zinc/61/75/03/664617503.db2.gz	IRZVHQIGVWCWLH-VIFPVBQESA-N	-1	1	303.326	-1.097	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)[C@@H]3CCCO3)[C@@H](O)C2)nc1=O	ZINC001083326372	677689648	/nfs/dbraw/zinc/68/96/48/677689648.db2.gz	BEPQPJQUHVPGPG-UTLUCORTSA-N	-1	1	311.342	-2.051	20	0		DAADMM
CN(C(=O)c1cnns1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042511471	677697636	/nfs/dbraw/zinc/69/76/36/677697636.db2.gz	KHZLEZXGAPMPSM-UHFFFAOYSA-N	-1	1	309.355	-1.084	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)c2cnc[nH]c2=O)nc1=O	ZINC001038386513	677823371	/nfs/dbraw/zinc/82/33/71/677823371.db2.gz	MVQJHVHWRZGVBC-MRVPVSSYSA-N	-1	1	319.325	-1.392	20	0		DAADMM
CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC	ZINC000912530554	677818486	/nfs/dbraw/zinc/81/84/86/677818486.db2.gz	ONTNNOVJTNBPLK-LURJTMIESA-N	-1	1	304.328	-1.001	20	0		DAADMM
CN(C(=O)c1nnn(C)n1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043556920	677933072	/nfs/dbraw/zinc/93/30/72/677933072.db2.gz	IOFICYIZUZRWCO-UHFFFAOYSA-N	-1	1	307.318	-2.412	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082576523	678118351	/nfs/dbraw/zinc/11/83/51/678118351.db2.gz	LDPYXERXMGLPNA-KXUCPTDWSA-N	-1	1	322.369	-1.027	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082576524	678118355	/nfs/dbraw/zinc/11/83/55/678118355.db2.gz	LDPYXERXMGLPNA-OPRDCNLKSA-N	-1	1	322.369	-1.027	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082660392	678118507	/nfs/dbraw/zinc/11/85/07/678118507.db2.gz	YDDLVXJZPCFIHL-NUPCCRGMSA-N	-1	1	322.369	-1.027	20	0		DAADMM
COCC(=O)NCC[C@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001075347897	677681375	/nfs/dbraw/zinc/68/13/75/677681375.db2.gz	WIFHVRXMZVXKCH-QMMMGPOBSA-N	-1	1	322.325	-1.311	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)C3CC=CC3)[C@@H](O)C2)nc1=O	ZINC001083379680	677692652	/nfs/dbraw/zinc/69/26/52/677692652.db2.gz	UDZUCPTZZUFTDZ-MNOVXSKESA-N	-1	1	307.354	-1.264	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)Cc3cc[nH]n3)[C@@H](O)C2)nc1=O	ZINC001083381352	677692784	/nfs/dbraw/zinc/69/27/84/677692784.db2.gz	FCSHBTDPGKCCBQ-ZJUUUORDSA-N	-1	1	321.341	-2.265	20	0		DAADMM
C[C@@H](C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O)C1CC1	ZINC001083389914	677693252	/nfs/dbraw/zinc/69/32/52/677693252.db2.gz	WKHBOQRPCUFOHV-IEBDPFPHSA-N	-1	1	309.370	-1.184	20	0		DAADMM
C[C@H](C(N)=O)N1CC[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1	ZINC001028734268	677693902	/nfs/dbraw/zinc/69/39/02/677693902.db2.gz	TXMSVLBNIOMMTE-BDAKNGLRSA-N	-1	1	323.353	-1.589	20	0		DAADMM
CNC(=O)CN1CC[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1	ZINC001028733490	677693934	/nfs/dbraw/zinc/69/39/34/677693934.db2.gz	YEBNXMIZRFYAGW-SECBINFHSA-N	-1	1	323.353	-1.716	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)C=C3CCC3)[C@@H](O)C2)nc1=O	ZINC001083400731	677694543	/nfs/dbraw/zinc/69/45/43/677694543.db2.gz	DDZOWLLZAHTJOQ-MNOVXSKESA-N	-1	1	307.354	-1.120	20	0		DAADMM
CN1CC[C@H](N2C[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)C1=O	ZINC001083423817	677700837	/nfs/dbraw/zinc/70/08/37/677700837.db2.gz	NWBNAVGUWSEXDW-SCVCMEIPSA-N	-1	1	320.349	-1.207	20	0		DAADMM
O=C(N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1O)c1ncccc1[O-]	ZINC001083423150	677700952	/nfs/dbraw/zinc/70/09/52/677700952.db2.gz	HDPOIFZUSHQNSW-YWVKMMECSA-N	-1	1	306.322	-1.549	20	0		DAADMM
Cn1cnc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)n1	ZINC001083444721	677715556	/nfs/dbraw/zinc/71/55/56/677715556.db2.gz	SGVGODUDVFRNRA-SFYZADRCSA-N	-1	1	322.329	-2.788	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)[C@@H]3CC3(F)F)[C@@H](O)C2)nc1=O	ZINC001083448634	677716518	/nfs/dbraw/zinc/71/65/18/677716518.db2.gz	QHPFUUCMXXOOSX-RNJXMRFFSA-N	-1	1	317.296	-1.575	20	0		DAADMM
Cc1c[nH]nc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001083447270	677716546	/nfs/dbraw/zinc/71/65/46/677716546.db2.gz	ISKSERLRTLSSNG-BDAKNGLRSA-N	-1	1	321.341	-1.885	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)c4cn[nH]n4)[C@@H]3C2)nc1=O	ZINC001075981324	677723555	/nfs/dbraw/zinc/72/35/55/677723555.db2.gz	FKGYZZUEIRBESI-WCBMZHEXSA-N	-1	1	318.341	-1.427	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3ccns3)[C@@H](O)C2)nc1=O	ZINC001083499612	677727328	/nfs/dbraw/zinc/72/73/28/677727328.db2.gz	GWBVZYCNSAVUPL-SFYZADRCSA-N	-1	1	324.366	-1.460	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)c4nc[nH]n4)[C@@H]3C2)nc1=O	ZINC001076375430	677741420	/nfs/dbraw/zinc/74/14/20/677741420.db2.gz	GMWZPIBQHKITRC-DTWKUNHWSA-N	-1	1	318.341	-1.427	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)Cn3cnnn3)C2)nc1=O	ZINC001076724418	677752207	/nfs/dbraw/zinc/75/22/07/677752207.db2.gz	UPNCWVOVQIWKDH-HTQZYQBOSA-N	-1	1	323.317	-3.544	20	0		DAADMM
Cc1ccoc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001076743834	677753595	/nfs/dbraw/zinc/75/35/95/677753595.db2.gz	CFRYWMPHDRLLAG-NXEZZACHSA-N	-1	1	321.337	-1.015	20	0		DAADMM
CN1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O	ZINC001076812765	677759582	/nfs/dbraw/zinc/75/95/82/677759582.db2.gz	SPPYAXIRZLSKDQ-OPRDCNLKSA-N	-1	1	310.358	-1.734	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)nc1=O	ZINC001076852891	677762752	/nfs/dbraw/zinc/76/27/52/677762752.db2.gz	JPEAXEASBHLHGN-TUTUZKQUSA-N	-1	1	321.381	-1.184	20	0		DAADMM
Cc1[nH]ccc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001076860442	677763204	/nfs/dbraw/zinc/76/32/04/677763204.db2.gz	ATYWWQYPCANFGU-GHMZBOCLSA-N	-1	1	320.353	-1.280	20	0		DAADMM
CC1CC(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)C1	ZINC001076864408	677763643	/nfs/dbraw/zinc/76/36/43/677763643.db2.gz	FLHLWWSUEWNFNZ-JPPWEJMLSA-N	-1	1	309.370	-1.184	20	0		DAADMM
O=C(N[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1O)c1ncccc1[O-]	ZINC001076916987	677769333	/nfs/dbraw/zinc/76/93/33/677769333.db2.gz	LXAWKQHZYQUHKG-JFGNBEQYSA-N	-1	1	320.349	-1.159	20	0		DAADMM
CNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001076917019	677769606	/nfs/dbraw/zinc/76/96/06/677769606.db2.gz	MZJBROMYEWWKSP-FXPVBKGRSA-N	-1	1	308.338	-1.303	20	0		DAADMM
Cc1c[nH]nc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001076976109	677776352	/nfs/dbraw/zinc/77/63/52/677776352.db2.gz	ISKSERLRTLSSNG-RKDXNWHRSA-N	-1	1	321.341	-1.885	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)nc1=O	ZINC001077001765	677777660	/nfs/dbraw/zinc/77/76/60/677777660.db2.gz	KUYDARKJQIKTQI-HTQZYQBOSA-N	-1	1	323.317	-3.544	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C3(C4CC4)CC3)C2)nc1=O	ZINC001077191061	677790440	/nfs/dbraw/zinc/79/04/40/677790440.db2.gz	XSOFZSXZOLODAZ-GHMZBOCLSA-N	-1	1	321.381	-1.040	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3ccsn3)C2)nc1=O	ZINC001077205049	677791121	/nfs/dbraw/zinc/79/11/21/677791121.db2.gz	KSRMIWYSXPIQQQ-RKDXNWHRSA-N	-1	1	324.366	-1.460	20	0		DAADMM
COC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001077310920	677798655	/nfs/dbraw/zinc/79/86/55/677798655.db2.gz	IFDDJTGFNUBLBJ-XLPZGREQSA-N	-1	1	313.314	-1.907	20	0		DAADMM
O=C(N[C@@H]1CN(CCCF)C[C@@H]1O)c1n[nH]c(=O)[n-]c1=O	ZINC001083606969	677810943	/nfs/dbraw/zinc/81/09/43/677810943.db2.gz	YWLLYENMMUXRCF-RQJHMYQMSA-N	-1	1	301.278	-1.583	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCNC3=O)C2)nc1=O	ZINC001077506826	677833777	/nfs/dbraw/zinc/83/37/77/677833777.db2.gz	LQLQDAOYJNUOJP-IWSPIJDZSA-N	-1	1	324.341	-3.094	20	0		DAADMM
Cc1nn[nH]c1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001083691932	677837209	/nfs/dbraw/zinc/83/72/09/677837209.db2.gz	OEMCZSWGKPWXCR-SFYZADRCSA-N	-1	1	322.329	-2.490	20	0		DAADMM
Cc1cocc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001077520538	677840326	/nfs/dbraw/zinc/84/03/26/677840326.db2.gz	NVTVFNKWXRDLKB-GHMZBOCLSA-N	-1	1	321.337	-1.015	20	0		DAADMM
Cn1nnc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)n1	ZINC001083705931	677840904	/nfs/dbraw/zinc/84/09/04/677840904.db2.gz	COFUXLVALZDHOP-RQJHMYQMSA-N	-1	1	323.317	-3.393	20	0		DAADMM
C[C@H]1CCN(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)C1	ZINC001083780893	677863333	/nfs/dbraw/zinc/86/33/33/677863333.db2.gz	OENSSDYGBFRBSC-AXFHLTTASA-N	-1	1	324.385	-1.487	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)nc1=O	ZINC001083784196	677866659	/nfs/dbraw/zinc/86/66/59/677866659.db2.gz	HVWKGNOFQWWIAT-XAVMHZPKSA-N	-1	1	324.341	-3.109	20	0		DAADMM
C[C@@H]1CCCN1CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O	ZINC001077675451	677873184	/nfs/dbraw/zinc/87/31/84/677873184.db2.gz	NRBYUOBTMLJHJR-GMTAPVOTSA-N	-1	1	324.385	-1.344	20	0		DAADMM
C[C@H]1CCN(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)C1	ZINC001077679314	677873321	/nfs/dbraw/zinc/87/33/21/677873321.db2.gz	OENSSDYGBFRBSC-HBNTYKKESA-N	-1	1	324.385	-1.487	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)nc1=O	ZINC001077686315	677873537	/nfs/dbraw/zinc/87/35/37/677873537.db2.gz	HVWKGNOFQWWIAT-BZNPZCIMSA-N	-1	1	324.341	-3.109	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC34CCC4)C2)nc1=O	ZINC001077750517	677878757	/nfs/dbraw/zinc/87/87/57/677878757.db2.gz	KMZKTTUTBYAXLO-GMTAPVOTSA-N	-1	1	321.381	-1.040	20	0		DAADMM
O=C(N[C@@H]1CN(CCCO)C[C@H]1O)c1c[n-]n2c1nccc2=O	ZINC001077796605	677881655	/nfs/dbraw/zinc/88/16/55/677881655.db2.gz	MKASAYQCGQIRDR-GHMZBOCLSA-N	-1	1	321.337	-1.820	20	0		DAADMM
Cn1ncc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)n1	ZINC001077834353	677887940	/nfs/dbraw/zinc/88/79/40/677887940.db2.gz	PZAPHCWDHCAJJN-RKDXNWHRSA-N	-1	1	322.329	-2.788	20	0		DAADMM
CCCN1C[C@@H](O)[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001077854281	677894518	/nfs/dbraw/zinc/89/45/18/677894518.db2.gz	BTWCCYFCRUTAEV-GHMZBOCLSA-N	-1	1	320.353	-1.358	20	0		DAADMM
Cc1conc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001077956336	677900331	/nfs/dbraw/zinc/90/03/31/677900331.db2.gz	BRPBBTRTPORTJK-RKDXNWHRSA-N	-1	1	322.325	-1.620	20	0		DAADMM
O=C(Cc1nnc[nH]1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O	ZINC001077976315	677901378	/nfs/dbraw/zinc/90/13/78/677901378.db2.gz	GPPIEEVSMKEHEX-RNFRBKRXSA-N	-1	1	308.302	-2.468	20	0		DAADMM
Cc1nc[nH]c1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001078289606	677923535	/nfs/dbraw/zinc/92/35/35/677923535.db2.gz	WUSJIXKNXIJGCB-RKDXNWHRSA-N	-1	1	321.341	-1.885	20	0		DAADMM
NC(=O)CC(=O)NC[C@H]1COCCN1C(=O)c1ncccc1[O-]	ZINC001061448515	677949529	/nfs/dbraw/zinc/94/95/29/677949529.db2.gz	HOGAVOLWUGTCBW-VIFPVBQESA-N	-1	1	322.321	-1.380	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@H](CNC(=O)c3cnon3)C2)nc1=O	ZINC001035553315	677973335	/nfs/dbraw/zinc/97/33/35/677973335.db2.gz	ABQZZDPPGINWCB-MRVPVSSYSA-N	-1	1	323.313	-1.878	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@@H](CNC(=O)c3cnon3)C2)nc1=O	ZINC001035553318	677973454	/nfs/dbraw/zinc/97/34/54/677973454.db2.gz	ABQZZDPPGINWCB-QMMMGPOBSA-N	-1	1	323.313	-1.878	20	0		DAADMM
CC(=O)N1CCO[C@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001064710625	677998273	/nfs/dbraw/zinc/99/82/73/677998273.db2.gz	VQDZYTGEBCRKBG-LLVKDONJSA-N	-1	1	324.337	-1.710	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)Cn1cnnn1	ZINC001079400074	678020701	/nfs/dbraw/zinc/02/07/01/678020701.db2.gz	KZZQCTKEAWXVEU-RKDXNWHRSA-N	-1	1	321.345	-2.268	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)Cn1cccn1	ZINC001079423500	678021014	/nfs/dbraw/zinc/02/10/14/678021014.db2.gz	KUPATPQVCLRPGV-GHMZBOCLSA-N	-1	1	319.369	-1.058	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1	ZINC001079493628	678021359	/nfs/dbraw/zinc/02/13/59/678021359.db2.gz	ZYSKQNZSXCLNMN-OPRDCNLKSA-N	-1	1	322.369	-1.677	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1cn(C)nn1	ZINC001079649527	678023987	/nfs/dbraw/zinc/02/39/87/678023987.db2.gz	MMZFPGBIVHTIOJ-RKDXNWHRSA-N	-1	1	320.357	-1.513	20	0		DAADMM
C[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001080774453	678041441	/nfs/dbraw/zinc/04/14/41/678041441.db2.gz	SQRZPNKERSPDMM-VXNVDRBHSA-N	-1	1	319.325	-2.047	20	0		DAADMM
NC(=O)CC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC001081365258	678069266	/nfs/dbraw/zinc/06/92/66/678069266.db2.gz	MJVZBBOAFFCNKL-PSASIEDQSA-N	-1	1	322.321	-1.788	20	0		DAADMM
COCCN1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](OC)C1	ZINC001081899544	678107695	/nfs/dbraw/zinc/10/76/95/678107695.db2.gz	XARSAKRMBJBXPV-HTQZYQBOSA-N	-1	1	313.314	-1.642	20	0		DAADMM
CO[C@@H]1CN(CCO)C[C@H]1NC(=O)c1c[n-]n2c1nccc2=O	ZINC001082211642	678112561	/nfs/dbraw/zinc/11/25/61/678112561.db2.gz	AZTSPTYFPVVGNJ-GHMZBOCLSA-N	-1	1	321.337	-1.556	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082482866	678117535	/nfs/dbraw/zinc/11/75/35/678117535.db2.gz	XCGQCGGRFIIFHO-GMTAPVOTSA-N	-1	1	324.385	-1.223	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082473091	678117671	/nfs/dbraw/zinc/11/76/71/678117671.db2.gz	UALVNFGVPSDSII-OPRDCNLKSA-N	-1	1	322.369	-1.027	20	0		DAADMM
C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082556287	678118069	/nfs/dbraw/zinc/11/80/69/678118069.db2.gz	KHNBJMCYCCBWNX-KXUCPTDWSA-N	-1	1	322.369	-1.027	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082694137	678119319	/nfs/dbraw/zinc/11/93/19/678119319.db2.gz	CLVXAFVDWGPIAV-KXUCPTDWSA-N	-1	1	322.369	-1.075	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)[C@H]1CCC(=O)N1	ZINC001074563483	678197075	/nfs/dbraw/zinc/19/70/75/678197075.db2.gz	JKWRIPMMWWIHHA-XHNCKOQMSA-N	-1	1	308.342	-1.132	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)[C@@H]1CN(C)CCO1	ZINC001074581601	678197822	/nfs/dbraw/zinc/19/78/22/678197822.db2.gz	GLEGOTISOVYXCX-DCAQKATOSA-N	-1	1	324.385	-1.080	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)[C@@H]1CN(C)C(=O)N1	ZINC001074798679	678204464	/nfs/dbraw/zinc/20/44/64/678204464.db2.gz	UFSJLONMNCAXGT-CIUDSAMLSA-N	-1	1	323.357	-1.387	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)[C@@H]1CCC(=O)N1	ZINC001075053529	678208112	/nfs/dbraw/zinc/20/81/12/678208112.db2.gz	JKWRIPMMWWIHHA-CIUDSAMLSA-N	-1	1	308.342	-1.132	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@@H]2CCC(=O)N2)nc1=O	ZINC001038928064	678220796	/nfs/dbraw/zinc/22/07/96/678220796.db2.gz	IJPOGNUSNWXXSD-IUCAKERBSA-N	-1	1	308.342	-1.923	20	0		DAADMM
CC(=O)N1CC[C@@](O)(CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001040346841	678239520	/nfs/dbraw/zinc/23/95/20/678239520.db2.gz	HFXVEHOPAHZFLZ-CYBMUJFWSA-N	-1	1	320.309	-1.869	20	0		DAADMM
CC(=O)NCC1(O)CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001041045038	678262430	/nfs/dbraw/zinc/26/24/30/678262430.db2.gz	XUXQGLDNFKXHSX-UHFFFAOYSA-N	-1	1	310.310	-2.364	20	0		DAADMM
NC(=O)NCC(=O)NCC1(O)CN(C(=O)c2ncccc2[O-])C1	ZINC001041382734	678281932	/nfs/dbraw/zinc/28/19/32/678281932.db2.gz	SDUWTRKNQVPUQA-UHFFFAOYSA-N	-1	1	323.309	-2.241	20	0		DAADMM
NC(=O)CN1CC[C@@]2(CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1	ZINC001041447454	678288210	/nfs/dbraw/zinc/28/82/10/678288210.db2.gz	ZAGZWRNNHDLQCF-CYBMUJFWSA-N	-1	1	322.325	-1.694	20	0		DAADMM
NC(=O)CN1CC[C@]2(CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1	ZINC001041805907	678303553	/nfs/dbraw/zinc/30/35/53/678303553.db2.gz	QUYMXLPZMMYSNQ-ZDUSSCGKSA-N	-1	1	324.341	-1.901	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]3CCN(C(=O)C(N)=O)C[C@@H]32)nc1=O	ZINC001042209514	678318699	/nfs/dbraw/zinc/31/86/99/678318699.db2.gz	ATYRNIFEVPZJHI-IUCAKERBSA-N	-1	1	308.342	-1.984	20	0		DAADMM
CN(C(=O)C1=COCCO1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042428392	678328396	/nfs/dbraw/zinc/32/83/96/678328396.db2.gz	CHFSGKNMEWJTLS-UHFFFAOYSA-N	-1	1	309.326	-1.361	20	0		DAADMM
CN(C(=O)Cn1cccn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042474811	678329604	/nfs/dbraw/zinc/32/96/04/678329604.db2.gz	ACHGBLYEVYNNCI-UHFFFAOYSA-N	-1	1	305.342	-1.352	20	0		DAADMM
CN(C(=O)[C@H]1CCC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042541172	678330974	/nfs/dbraw/zinc/33/09/74/678330974.db2.gz	SVFPIMLYOUYJSG-SECBINFHSA-N	-1	1	308.342	-1.970	20	0		DAADMM
CN(C(=O)[C@@H]1COCCN1C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042637728	678335049	/nfs/dbraw/zinc/33/50/49/678335049.db2.gz	QAYISDAJBOEECT-NSHDSACASA-N	-1	1	324.385	-1.918	20	0		DAADMM
CC(=O)N1CC(C(=O)N(C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)C1	ZINC001042657440	678336309	/nfs/dbraw/zinc/33/63/09/678336309.db2.gz	IIOONABXVOUSKQ-UHFFFAOYSA-N	-1	1	322.369	-1.771	20	0		DAADMM
CN(C(=O)c1cnnn1C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042677101	678337883	/nfs/dbraw/zinc/33/78/83/678337883.db2.gz	MRUNEWSRAGMQSU-UHFFFAOYSA-N	-1	1	306.330	-1.807	20	0		DAADMM
CCn1nncc1C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042686754	678338985	/nfs/dbraw/zinc/33/89/85/678338985.db2.gz	VXJWQKAGHXXJFU-UHFFFAOYSA-N	-1	1	320.357	-1.324	20	0		DAADMM
O=C(NCC1(O)CN(C(=O)c2cn[nH]n2)C1)c1ncccc1[O-]	ZINC001042719346	678339713	/nfs/dbraw/zinc/33/97/13/678339713.db2.gz	ARAQNYUSTQPWBD-UHFFFAOYSA-N	-1	1	318.293	-1.478	20	0		DAADMM
NC(=O)CC(=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001042712762	678339806	/nfs/dbraw/zinc/33/98/06/678339806.db2.gz	HPOOXZGABIPSBC-UHFFFAOYSA-N	-1	1	308.294	-2.034	20	0		DAADMM
CN(C(=O)Cn1nccn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042801310	678345722	/nfs/dbraw/zinc/34/57/22/678345722.db2.gz	SDNJVMYMFYNYFT-UHFFFAOYSA-N	-1	1	306.330	-1.957	20	0		DAADMM
CN(C(=O)[C@H]1CC(=O)N(C)C1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042844082	678348193	/nfs/dbraw/zinc/34/81/93/678348193.db2.gz	KYBINSHRXXLAEB-VIFPVBQESA-N	-1	1	322.369	-1.771	20	0		DAADMM
CN(C(=O)C[C@H]1CCNC1=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042905420	678354530	/nfs/dbraw/zinc/35/45/30/678354530.db2.gz	WUZFTZABXBQMDV-SECBINFHSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN(C(=O)c1c[nH]c(=O)n1C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043530101	678384345	/nfs/dbraw/zinc/38/43/45/678384345.db2.gz	KQDJHRHVRNYYOR-UHFFFAOYSA-N	-1	1	321.341	-1.496	20	0		DAADMM
CN(C(=O)[C@@H]1CCNC1=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043528066	678384617	/nfs/dbraw/zinc/38/46/17/678384617.db2.gz	LAKZQFXSGQKFEE-SECBINFHSA-N	-1	1	308.342	-2.113	20	0		DAADMM
CN(C(=O)[C@H]1CCN(C)C1=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043569392	678385861	/nfs/dbraw/zinc/38/58/61/678385861.db2.gz	FXIXAMRMUWRRGO-JTQLQIEISA-N	-1	1	322.369	-1.771	20	0		DAADMM
CN(C(=O)[C@H]1CCC(=O)N1C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043616648	678386912	/nfs/dbraw/zinc/38/69/12/678386912.db2.gz	OHPGINCTUTYHBH-SNVBAGLBSA-N	-1	1	322.369	-1.628	20	0		DAADMM
CN(C(=O)[C@]1(C)CCC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043773781	678394125	/nfs/dbraw/zinc/39/41/25/678394125.db2.gz	IMSVCHFVTZLPJN-AWEZNQCLSA-N	-1	1	322.369	-1.580	20	0		DAADMM
CN(C(=O)c1cnn(C)n1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001044049066	678410520	/nfs/dbraw/zinc/41/05/20/678410520.db2.gz	NRCJYHVPVZKYDC-UHFFFAOYSA-N	-1	1	306.330	-1.807	20	0		DAADMM
CN(C(=O)Cc1ncc[nH]1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001044090412	678412300	/nfs/dbraw/zinc/41/23/00/678412300.db2.gz	KUXDHGBCRWKZPN-UHFFFAOYSA-N	-1	1	305.342	-1.283	20	0		DAADMM
Cc1nonc1CC(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001044123761	678413437	/nfs/dbraw/zinc/41/34/37/678413437.db2.gz	JVJNPRZRKJVDIY-UHFFFAOYSA-N	-1	1	321.341	-1.315	20	0		DAADMM
CN(C(=O)c1cc(=O)n2[n-]cnc2n1)C1CN(CCCO)C1	ZINC001044180797	678415172	/nfs/dbraw/zinc/41/51/72/678415172.db2.gz	LNZFLOBSVDAUBC-UHFFFAOYSA-N	-1	1	306.326	-1.444	20	0		DAADMM
C[C@@H](O)CN1CC(N(C)C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001044182601	678415276	/nfs/dbraw/zinc/41/52/76/678415276.db2.gz	WDKSOTIILBMKRZ-MRVPVSSYSA-N	-1	1	306.326	-1.445	20	0		DAADMM
CN(C(=O)Cn1cncn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001044268622	678417594	/nfs/dbraw/zinc/41/75/94/678417594.db2.gz	SITMQFUSLIJBAG-UHFFFAOYSA-N	-1	1	306.330	-1.957	20	0		DAADMM
O=C(CN1CN=NC1=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001045004235	678443237	/nfs/dbraw/zinc/44/32/37/678443237.db2.gz	CSOJKXYCSJHDGM-QMMMGPOBSA-N	-1	1	322.329	-1.412	20	0		DAADMM
O=C(NCC1(O)CN(C(=O)c2ncccc2[O-])C1)c1cnon1	ZINC001045184566	678448932	/nfs/dbraw/zinc/44/89/32/678448932.db2.gz	MIESYESRXQQPFC-UHFFFAOYSA-N	-1	1	319.277	-1.213	20	0		DAADMM
O=C(Cn1cncn1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001045300938	678454727	/nfs/dbraw/zinc/45/47/27/678454727.db2.gz	HQWJEGJAVCEKHP-VIFPVBQESA-N	-1	1	306.330	-1.117	20	0		DAADMM
CN(C(=O)C(C)(F)F)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001047274739	678502664	/nfs/dbraw/zinc/50/26/64/678502664.db2.gz	PTTRYWUQZPSTPL-YUMQZZPRSA-N	-1	1	319.312	-1.233	20	0		DAADMM
CN(C(=O)c1ccn[nH]1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001047310236	678505330	/nfs/dbraw/zinc/50/53/30/678505330.db2.gz	SQIZCSXYGJXREQ-IUCAKERBSA-N	-1	1	307.314	-1.449	20	0		DAADMM
CN(C)C(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2[O-])C1	ZINC001047358724	678510859	/nfs/dbraw/zinc/51/08/59/678510859.db2.gz	HQFJVMSKODWTKY-JQWIXIFHSA-N	-1	1	322.365	-1.008	20	0		DAADMM
C[C@H](C(N)=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2[O-])C1	ZINC001047357423	678511264	/nfs/dbraw/zinc/51/12/64/678511264.db2.gz	BKHQAPLYKUJWJA-YWVKMMECSA-N	-1	1	308.338	-1.222	20	0		DAADMM
CN(C(=O)c1cn[nH]n1)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001047439115	678520243	/nfs/dbraw/zinc/52/02/43/678520243.db2.gz	YGBBSAUWEDIQTG-IUCAKERBSA-N	-1	1	322.329	-2.456	20	0		DAADMM
CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CN(CCCF)C[C@@H]1O	ZINC001047444164	678520493	/nfs/dbraw/zinc/52/04/93/678520493.db2.gz	YXQWCFVKNZUITD-YUMQZZPRSA-N	-1	1	315.305	-1.241	20	0		DAADMM
CN(C(=O)c1cnon1)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001047571716	678531547	/nfs/dbraw/zinc/53/15/47/678531547.db2.gz	RBZCEVGJTDJERP-IUCAKERBSA-N	-1	1	323.313	-2.191	20	0		DAADMM
CN(C(=O)Cc1ncn[nH]1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001047590010	678533558	/nfs/dbraw/zinc/53/35/58/678533558.db2.gz	WDJGCEJFLQUMMC-YUMQZZPRSA-N	-1	1	322.329	-2.125	20	0		DAADMM
C[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1	ZINC001048919333	678566165	/nfs/dbraw/zinc/56/61/65/678566165.db2.gz	SXWMEINLLZWZHS-PRJMDXOYSA-N	-1	1	322.325	-1.840	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3CN(C(=O)c4cnon4)C[C@@H]3C2)nc1=O	ZINC001049123918	678575158	/nfs/dbraw/zinc/57/51/58/678575158.db2.gz	NTVKPVJZMCOWNL-DTORHVGOSA-N	-1	1	319.325	-1.305	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]3[C@@H]2CCCN3C(=O)CC(N)=O)nc1=O	ZINC001049382108	678580975	/nfs/dbraw/zinc/58/09/75/678580975.db2.gz	MUYHXOOVPNUESF-UWVGGRQHSA-N	-1	1	322.369	-1.451	20	0		DAADMM
COCC(=O)N1CCOC2(CN(Cc3nc(=O)n(C)[n-]3)C2)C1	ZINC001053116074	678592906	/nfs/dbraw/zinc/59/29/06/678592906.db2.gz	YQNVSGSVDXSIMQ-UHFFFAOYSA-N	-1	1	311.342	-1.832	20	0		DAADMM
Cn1[n-]c(CN2CC3(C2)CN(C(=O)C(F)F)CCO3)nc1=O	ZINC001053119229	678593194	/nfs/dbraw/zinc/59/31/94/678593194.db2.gz	RDEXVXFXDOWCRX-UHFFFAOYSA-N	-1	1	317.296	-1.213	20	0		DAADMM
C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054614721	678632487	/nfs/dbraw/zinc/63/24/87/678632487.db2.gz	NCEFGOHZNJJIQS-HTQZYQBOSA-N	-1	1	306.330	-1.111	20	0		DAADMM
C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054620150	678632701	/nfs/dbraw/zinc/63/27/01/678632701.db2.gz	PKJMBHZKWQJQER-JGVFFNPUSA-N	-1	1	306.330	-1.111	20	0		DAADMM
C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054596228	678632708	/nfs/dbraw/zinc/63/27/08/678632708.db2.gz	FKVFDUFKMHZBFP-SFYZADRCSA-N	-1	1	322.329	-1.556	20	0		DAADMM
C[C@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054596226	678632869	/nfs/dbraw/zinc/63/28/69/678632869.db2.gz	FKVFDUFKMHZBFP-JGVFFNPUSA-N	-1	1	322.329	-1.556	20	0		DAADMM
CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@@H](NCc3n[nH]c(=O)[n-]3)C2)C1	ZINC001054597662	678632937	/nfs/dbraw/zinc/63/29/37/678632937.db2.gz	AUYXPRAZZCLZDP-KCJUWKMLSA-N	-1	1	322.369	-1.075	20	0		DAADMM
C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054635386	678633418	/nfs/dbraw/zinc/63/34/18/678633418.db2.gz	OYBQJJNHCZNPBX-HTQZYQBOSA-N	-1	1	306.330	-1.111	20	0		DAADMM
C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054981869	678636905	/nfs/dbraw/zinc/63/69/05/678636905.db2.gz	PQJQKLAYNKDNAQ-NKWVEPMBSA-N	-1	1	307.318	-1.716	20	0		DAADMM
C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001055017330	678637769	/nfs/dbraw/zinc/63/77/69/678637769.db2.gz	KEMUPKMCVMVEOG-VXNVDRBHSA-N	-1	1	319.325	-1.156	20	0		DAADMM
CC(=O)NCCN1CCC(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001055481764	678640750	/nfs/dbraw/zinc/64/07/50/678640750.db2.gz	UMLYTGUVWWPJNL-UHFFFAOYSA-N	-1	1	324.341	-1.387	20	0		DAADMM
NC(=O)C(=O)N[C@]1(CO)CCCN(C(=O)c2ncccc2[O-])C1	ZINC001056091511	678660106	/nfs/dbraw/zinc/66/01/06/678660106.db2.gz	XDWKKDKMSOZTRN-CQSZACIVSA-N	-1	1	322.321	-1.644	20	0		DAADMM
O=C([C@@H]1CCC(=O)N1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001000733916	678681227	/nfs/dbraw/zinc/68/12/27/678681227.db2.gz	TXGHDBUSEIQHDW-BDAKNGLRSA-N	-1	1	308.342	-1.131	20	0		DAADMM
CNC(=O)CC(=O)N(CCO)CCNC(=O)c1ncccc1[O-]	ZINC001057412928	678715571	/nfs/dbraw/zinc/71/55/71/678715571.db2.gz	ANNVYOBHTDDMNN-UHFFFAOYSA-N	-1	1	324.337	-1.526	20	0		DAADMM
Cn1[n-]c(CN2CCOC[C@@H]2CNC(=O)c2cn[nH]c2)nc1=O	ZINC001050831512	678731816	/nfs/dbraw/zinc/73/18/16/678731816.db2.gz	ADLBNNNAHPGGRG-JTQLQIEISA-N	-1	1	321.341	-1.538	20	0		DAADMM
CNC(=O)CN1CCOC[C@H]1CNC(=O)c1ncccc1[O-]	ZINC001050891164	678735531	/nfs/dbraw/zinc/73/55/31/678735531.db2.gz	NSSSFVFEJGSUEL-SNVBAGLBSA-N	-1	1	308.338	-1.036	20	0		DAADMM
Cn1[n-]c(CN2CCOC[C@@H]2CNC(=O)c2cnco2)nc1=O	ZINC001051050973	678743422	/nfs/dbraw/zinc/74/34/22/678743422.db2.gz	HOMIAGFILRWHMB-VIFPVBQESA-N	-1	1	322.325	-1.273	20	0		DAADMM
O=C(NC[C@H]1COCCN1CCF)c1cc(=O)n2[n-]cnc2n1	ZINC001051209520	678750225	/nfs/dbraw/zinc/75/02/25/678750225.db2.gz	KHWKERDTYAXJTB-VIFPVBQESA-N	-1	1	324.316	-1.182	20	0		DAADMM
Cn1cc(C(=O)N2CCO[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)cn1	ZINC001051425200	678755374	/nfs/dbraw/zinc/75/53/74/678755374.db2.gz	ZCTMGEATUIFGTB-JTQLQIEISA-N	-1	1	321.341	-1.125	20	0		DAADMM
O=C([C@H]1CCOC1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051483183	678758443	/nfs/dbraw/zinc/75/84/43/678758443.db2.gz	QULYCWASMVKXJM-UWVGGRQHSA-N	-1	1	311.342	-1.136	20	0		DAADMM
O=C([C@H]1CCC(=O)N1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051490430	678758871	/nfs/dbraw/zinc/75/88/71/678758871.db2.gz	YPKMRICATKOFLJ-RKDXNWHRSA-N	-1	1	324.341	-1.894	20	0		DAADMM
Cn1cnc(C(=O)N2CCO[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)c1	ZINC001051547458	678760618	/nfs/dbraw/zinc/76/06/18/678760618.db2.gz	KGEXKNOCPTYQJX-VIFPVBQESA-N	-1	1	321.341	-1.125	20	0		DAADMM
O=C(c1cncnc1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051567042	678761353	/nfs/dbraw/zinc/76/13/53/678761353.db2.gz	TVGZZJIYZVSWQR-JTQLQIEISA-N	-1	1	319.325	-1.069	20	0		DAADMM
Cn1nncc1C(=O)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051588456	678762062	/nfs/dbraw/zinc/76/20/62/678762062.db2.gz	SBAWCOREKDJQQG-QMMMGPOBSA-N	-1	1	322.329	-1.730	20	0		DAADMM
O=C(c1ncc[nH]1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051601649	678763595	/nfs/dbraw/zinc/76/35/95/678763595.db2.gz	AMQRTPCLXDCWLS-QMMMGPOBSA-N	-1	1	307.314	-1.136	20	0		DAADMM
Cn1nnc(C(=O)N2CCO[C@H](CNCc3n[nH]c(=O)[n-]3)C2)n1	ZINC001051771640	678770777	/nfs/dbraw/zinc/77/07/77/678770777.db2.gz	DCKGISFHNRLHCY-SSDOTTSWSA-N	-1	1	323.317	-2.335	20	0		DAADMM
O=C(Cc1cnc[nH]1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051847814	678775742	/nfs/dbraw/zinc/77/57/42/678775742.db2.gz	BMZIILKRYXHHGL-SNVBAGLBSA-N	-1	1	321.341	-1.207	20	0		DAADMM
O=C(Cc1cnc[nH]1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051847813	678776147	/nfs/dbraw/zinc/77/61/47/678776147.db2.gz	BMZIILKRYXHHGL-JTQLQIEISA-N	-1	1	321.341	-1.207	20	0		DAADMM
CCC(=O)NCCN(CCO)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001058153393	678809717	/nfs/dbraw/zinc/80/97/17/678809717.db2.gz	ZMNHPQYDMQMRMI-UHFFFAOYSA-N	-1	1	322.325	-1.622	20	0		DAADMM
CC(=O)N1C[C@@H](NCc2nc(=O)n(C)[n-]2)[C@@H](n2ccnn2)C1	ZINC001070110150	678854685	/nfs/dbraw/zinc/85/46/85/678854685.db2.gz	DAQHVLKNAGPQLX-ZJUUUORDSA-N	-1	1	306.330	-1.739	20	0		DAADMM
CC(=O)NCc1n[nH]c([C@H]2COCCN2Cc2n[nH]c(=O)[n-]2)n1	ZINC001070576890	678869193	/nfs/dbraw/zinc/86/91/93/678869193.db2.gz	HZOZZUHRDRQYST-MRVPVSSYSA-N	-1	1	322.329	-1.162	20	0		DAADMM
CC(=O)NCc1nnc([C@H]2COCCN2Cc2n[nH]c(=O)[n-]2)[nH]1	ZINC001070576890	678869196	/nfs/dbraw/zinc/86/91/96/678869196.db2.gz	HZOZZUHRDRQYST-MRVPVSSYSA-N	-1	1	322.329	-1.162	20	0		DAADMM
CC(=O)N1C[C@H](C)[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001071422175	678888204	/nfs/dbraw/zinc/88/82/04/678888204.db2.gz	MLJXDWJARLRFSI-GXSJLCMTSA-N	-1	1	308.338	-1.090	20	0		DAADMM
NC(=O)CC(=O)N[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C12CCC2	ZINC001202664125	782255525	/nfs/dbraw/zinc/25/55/25/782255525.db2.gz	NNSSIHLZRBYTEW-SFYZADRCSA-N	-1	1	308.342	-1.097	20	0		DAADMM
CN(C)C(=O)c1[nH]nc2c1CN(C(=O)c1c[nH]c(=O)c(=O)[n-]1)C2	ZINC001275820420	782319910	/nfs/dbraw/zinc/31/99/10/782319910.db2.gz	HYQUVVVROCGPLQ-UHFFFAOYSA-N	-1	1	318.293	-1.356	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2(C(N)=O)CC2)nc1=O	ZINC001114763881	782376087	/nfs/dbraw/zinc/37/60/87/782376087.db2.gz	JVMVFZZHMPCMIO-MBTKJCJQSA-N	-1	1	320.353	-2.080	20	0		DAADMM
COC(=O)CC[C@H]([N-]S(=O)(=O)CC(=O)OC)C(=O)OC	ZINC001259029931	782400500	/nfs/dbraw/zinc/40/05/00/782400500.db2.gz	IMIXUYOAUZESMP-ZETCQYMHSA-N	-1	1	311.312	-1.426	20	0		DAADMM
C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)Cn1cncn1	ZINC001102556816	782620737	/nfs/dbraw/zinc/62/07/37/782620737.db2.gz	RLVLGNZIJYSRFF-NXEZZACHSA-N	-1	1	320.357	-1.014	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCCC(N)=O)nc1=O	ZINC001115347862	782652293	/nfs/dbraw/zinc/65/22/93/782652293.db2.gz	HORHCBVSTGVXAQ-WOFXILAISA-N	-1	1	322.369	-1.690	20	0		DAADMM
CS(=O)(=O)NCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001116051242	782655622	/nfs/dbraw/zinc/65/56/22/782655622.db2.gz	MCDMHTGBGOTOKP-UHFFFAOYSA-N	-1	1	304.328	-2.408	20	0		DAADMM
C[C@@]1(NC(=O)CCn2cc[n-]c(=O)c2=O)CCS(=O)(=O)C1	ZINC001116055145	782656255	/nfs/dbraw/zinc/65/62/55/782656255.db2.gz	KVYKFWMEZGMKPJ-GFCCVEGCSA-N	-1	1	315.351	-1.380	20	0		DAADMM
COCCOCCS(=O)(=O)[N-]c1cnn(CC(N)=O)c1	ZINC001116377463	782661420	/nfs/dbraw/zinc/66/14/20/782661420.db2.gz	ITDVSAMOEKHOHJ-UHFFFAOYSA-N	-1	1	306.344	-1.227	20	0		DAADMM
CN1CC(=O)N(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)C1=O	ZINC001116468281	782661965	/nfs/dbraw/zinc/66/19/65/782661965.db2.gz	DWHQBAGBGNDDSR-QMMMGPOBSA-N	-1	1	307.314	-1.200	20	0		DAADMM
CN(CCCNC(=O)COC(=O)c1cn[n-]n1)S(C)(=O)=O	ZINC001117293718	782681609	/nfs/dbraw/zinc/68/16/09/782681609.db2.gz	LNGOXJJFDBBXFY-UHFFFAOYSA-N	-1	1	319.343	-1.641	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)C(=O)N3C[C@@H](O)C[C@H]3CO)ccnc1-2	ZINC001117391061	782689203	/nfs/dbraw/zinc/68/92/03/782689203.db2.gz	KWCFTTUJLYBFCP-IUCAKERBSA-N	-1	1	319.321	-1.766	20	0		DAADMM
CN(CCNC(=O)[C@H]1CCCNC1=O)Cc1nc(=O)n(C)[n-]1	ZINC001266285225	775122869	/nfs/dbraw/zinc/12/28/69/775122869.db2.gz	QVSSEAXFLHZOSZ-VIFPVBQESA-N	-1	1	310.358	-1.817	20	0		DAADMM
C[C@@H](C(N)=O)N(C)CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001266340459	775133503	/nfs/dbraw/zinc/13/35/03/775133503.db2.gz	ZGZJRIQIKMPHDI-VIFPVBQESA-N	-1	1	311.342	-2.152	20	0		DAADMM
CCN(CCNC(=O)[C@H]1CCN(C)C1=O)Cc1nc(=O)n(C)[n-]1	ZINC001266411505	775138487	/nfs/dbraw/zinc/13/84/87/775138487.db2.gz	XTCNNXXADQXQGG-SNVBAGLBSA-N	-1	1	324.385	-1.475	20	0		DAADMM
CSCC[C@H](NC(=O)CN1C(=O)CNC1=O)c1nn[n-]n1	ZINC001167445403	775168618	/nfs/dbraw/zinc/16/86/18/775168618.db2.gz	XICLGCZAGFKBRI-LURJTMIESA-N	-1	1	313.343	-1.338	20	0		DAADMM
CN(C)S(=O)(=O)CC(=O)N(C)CCNCc1n[nH]c(=O)[n-]1	ZINC001267020038	775196364	/nfs/dbraw/zinc/19/63/64/775196364.db2.gz	OYKMRGFGLDAVLO-UHFFFAOYSA-N	-1	1	320.375	-2.050	20	0		DAADMM
CC(=O)NCc1nc(CNCc2nc(=O)n(C)[n-]2)cc(=O)[nH]1	ZINC001087253205	775232312	/nfs/dbraw/zinc/23/23/12/775232312.db2.gz	BCTCCWAMQCMTQS-UHFFFAOYSA-N	-1	1	307.314	-1.470	20	0		DAADMM
Cn1[n-]c(CN[C@H](CNC(=O)C(N)=O)c2ccccc2)nc1=O	ZINC001267520540	775249386	/nfs/dbraw/zinc/24/93/86/775249386.db2.gz	QVRSEGRISLGECB-SNVBAGLBSA-N	-1	1	318.337	-1.459	20	0		DAADMM
C[C@H]1[C@H](Nc2ncc3c(n2)CNCC3)C(=O)N1S(=O)(=O)[O-]	ZINC001167857652	775347704	/nfs/dbraw/zinc/34/77/04/775347704.db2.gz	GWHMLCCMRSEIAZ-RCOVLWMOSA-N	-1	1	313.339	-1.064	20	0		DAADMM
COCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC	ZINC001211743581	775386015	/nfs/dbraw/zinc/38/60/15/775386015.db2.gz	GVIJNNIRAQLIID-NXEZZACHSA-N	-1	1	313.358	-1.540	20	0		DAADMM
COC(=O)C1(S(=O)(=O)[N-][C@H]2CC(=O)N(C)C2=O)CCC1	ZINC001211831564	775402675	/nfs/dbraw/zinc/40/26/75/775402675.db2.gz	FXXWTKUIFYDNNW-ZETCQYMHSA-N	-1	1	304.324	-1.241	20	0		DAADMM
C[C@H](C(N)=O)N1CC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001269177941	775446180	/nfs/dbraw/zinc/44/61/80/775446180.db2.gz	VHMPHLMDUAWYNP-NXEZZACHSA-N	-1	1	323.353	-2.009	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CCC[C@]12CCN(C1COC1)C2=O	ZINC001269578179	775471333	/nfs/dbraw/zinc/47/13/33/775471333.db2.gz	VIRSURURFPTLLC-CYBMUJFWSA-N	-1	1	306.326	-1.266	20	0		DAADMM
CN(CCNC(=O)CCn1cc[n-]c(=O)c1=O)C(=O)C(F)F	ZINC001284554052	775471576	/nfs/dbraw/zinc/47/15/76/775471576.db2.gz	FBECQRPKHUVFHQ-UHFFFAOYSA-N	-1	1	318.280	-1.234	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CCC[C@@]12CCN(C1COC1)C2=O	ZINC001269578180	775471671	/nfs/dbraw/zinc/47/16/71/775471671.db2.gz	VIRSURURFPTLLC-ZDUSSCGKSA-N	-1	1	306.326	-1.266	20	0		DAADMM
COCCCN1CC2(CN(C(=O)Cc3nn[n-]n3)C2)OCC1=O	ZINC001269577810	775471906	/nfs/dbraw/zinc/47/19/06/775471906.db2.gz	OGNLQKFMUWEZPJ-UHFFFAOYSA-N	-1	1	324.341	-1.782	20	0		DAADMM
CC[C@H](C)N1C(=O)COCC12CN(C(=O)Cc1nn[n-]n1)C2	ZINC001269576146	775472148	/nfs/dbraw/zinc/47/21/48/775472148.db2.gz	GCQGRIZRVDMRTK-VIFPVBQESA-N	-1	1	308.342	-1.020	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC[C@]2(C1)CN(C1COC1)C(=O)CO2	ZINC001269578170	775472246	/nfs/dbraw/zinc/47/22/46/775472246.db2.gz	VBBXNEJMTPNMPU-ZDUSSCGKSA-N	-1	1	322.325	-2.029	20	0		DAADMM
CC(=O)[C@H](C)N1CC2(CN(C(=O)Cc3nn[n-]n3)C2)OCC1=O	ZINC001269576761	775473775	/nfs/dbraw/zinc/47/37/75/775473775.db2.gz	VQWYHZIAEVWRAP-QMMMGPOBSA-N	-1	1	322.325	-1.841	20	0		DAADMM
CCCCN1C(=O)COCC12CN(C(=O)Cc1nn[n-]n1)C2	ZINC001269576369	775473793	/nfs/dbraw/zinc/47/37/93/775473793.db2.gz	JXTIAXFMSCELPO-UHFFFAOYSA-N	-1	1	308.342	-1.018	20	0		DAADMM
CN(C)C(=O)CN1CCO[C@H]2CN(C(=O)Cc3nn[n-]n3)C[C@@H]21	ZINC001270182403	775485089	/nfs/dbraw/zinc/48/50/89/775485089.db2.gz	DNSZUIRRDKOVTA-UWVGGRQHSA-N	-1	1	323.357	-2.258	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1C[C@@H]2[C@H](C1)OCCN2Cc1cn[nH]c1	ZINC001270182498	775486921	/nfs/dbraw/zinc/48/69/21/775486921.db2.gz	GXEWKLNTWASYDR-MNOVXSKESA-N	-1	1	318.341	-1.423	20	0		DAADMM
C[C@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)Cc1nn[n-]n1	ZINC001270788981	775508338	/nfs/dbraw/zinc/50/83/38/775508338.db2.gz	KPAFWAFHTNCHDS-LURJTMIESA-N	-1	1	305.302	-2.094	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1C[C@H]2C[C@@]2(C(=O)NCC2COC2)C1	ZINC001270789454	775508362	/nfs/dbraw/zinc/50/83/62/775508362.db2.gz	QLMUHODJHQDOCJ-NOZJJQNGSA-N	-1	1	306.326	-1.647	20	0		DAADMM
CN(C)C(=O)C[C@H]1C[C@@H]2CN(C(=O)Cc3nn[n-]n3)C[C@@H]2O1	ZINC001270788360	775508606	/nfs/dbraw/zinc/50/86/06/775508606.db2.gz	GHLOGUCTLINYFF-BBBLOLIVSA-N	-1	1	308.342	-1.164	20	0		DAADMM
CN(C)C(=O)c1cnc2n1CCN(C(=O)Cc1nn[n-]n1)C2	ZINC001270787894	775508949	/nfs/dbraw/zinc/50/89/49/775508949.db2.gz	AGBYNPABSLJECF-UHFFFAOYSA-N	-1	1	304.314	-1.317	20	0		DAADMM
COCCN(C)C(=O)[C@H]1CC12CN(C(=O)Cc1nn[n-]n1)C2	ZINC001270789208	775509778	/nfs/dbraw/zinc/50/97/78/775509778.db2.gz	PAPCFXWUMDEUAP-SECBINFHSA-N	-1	1	308.342	-1.305	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC2(C[C@H]2C(=O)NCc2c[nH]cn2)C1	ZINC001270789180	775509847	/nfs/dbraw/zinc/50/98/47/775509847.db2.gz	OISHMJXUZZRGAW-VIFPVBQESA-N	-1	1	316.325	-1.370	20	0		DAADMM
NC(=O)CN1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1	ZINC001088028650	775553227	/nfs/dbraw/zinc/55/32/27/775553227.db2.gz	XHEPLVUFWLSKAT-SFYZADRCSA-N	-1	1	322.325	-1.838	20	0		DAADMM
CN(CCN(C)C(=O)C1(C(N)=O)CC1)Cc1nc(=O)n(C)[n-]1	ZINC001272098012	775636142	/nfs/dbraw/zinc/63/61/42/775636142.db2.gz	MTZZLPSKRDGRPX-UHFFFAOYSA-N	-1	1	310.358	-1.736	20	0		DAADMM
Cn1cc(CC(=O)N(CCO)CCNCc2n[nH]c(=O)[n-]2)cn1	ZINC001272129762	775639352	/nfs/dbraw/zinc/63/93/52/775639352.db2.gz	PLZCCTNPMKDHKY-UHFFFAOYSA-N	-1	1	323.357	-1.603	20	0		DAADMM
C[C@@H]1[C@@H](NC(=O)c2cnon2)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001088931740	775736305	/nfs/dbraw/zinc/73/63/05/775736305.db2.gz	STWIMPPGBYPPRT-SFYZADRCSA-N	-1	1	307.314	-1.116	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@@H]1CCCCN1C(=O)CC(N)=O	ZINC001089143091	775742634	/nfs/dbraw/zinc/74/26/34/775742634.db2.gz	LVNSLULJLGWSAZ-JTQLQIEISA-N	-1	1	324.385	-1.203	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@@H]1CCCCN1C(=O)C(N)=O	ZINC001089221198	775751152	/nfs/dbraw/zinc/75/11/52/775751152.db2.gz	AGBDLFZNQBFRMA-VIFPVBQESA-N	-1	1	310.358	-1.593	20	0		DAADMM
COC(=O)[C@@H](CO)NS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2	ZINC000914327552	775780573	/nfs/dbraw/zinc/78/05/73/775780573.db2.gz	OOXJDVMUARSRFM-PWSUYJOCSA-N	-1	1	306.384	-1.074	20	0		DAADMM
CN(CC(=O)N1C[C@H]2CC[C@@H](C1)N2C)C(N)=[NH+]P(=O)([O-])[O-]	ZINC001272724710	775832018	/nfs/dbraw/zinc/83/20/18/775832018.db2.gz	NHVHBJALIKJZDB-DTORHVGOSA-N	-1	1	319.302	-1.160	20	0		DAADMM
COCC(=O)NC[C@@]1(C)CN(Cc2nc(=O)n(C)[n-]2)CCO1	ZINC001107662757	775867153	/nfs/dbraw/zinc/86/71/53/775867153.db2.gz	HGGORTSCJLPCKK-ZDUSSCGKSA-N	-1	1	313.358	-1.538	20	0		DAADMM
O=C(CNC(=O)c1ccoc1)NCCNCc1n[nH]c(=O)[n-]1	ZINC001127951576	775890785	/nfs/dbraw/zinc/89/07/85/775890785.db2.gz	CNIZLRZDWPZWMN-UHFFFAOYSA-N	-1	1	308.298	-1.261	20	0		DAADMM
COCC(=O)N[C@@H](C)C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001127992707	775899115	/nfs/dbraw/zinc/89/91/15/775899115.db2.gz	GZIULMZPXSQXPE-ZETCQYMHSA-N	-1	1	300.319	-2.133	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)C(C)(C)F)[C@H](O)C2)nc1=O	ZINC001090000847	775949228	/nfs/dbraw/zinc/94/92/28/775949228.db2.gz	LWFOOTJNQBKJEJ-RKDXNWHRSA-N	-1	1	315.349	-1.092	20	0		DAADMM
CSCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001099651043	775958668	/nfs/dbraw/zinc/95/86/68/775958668.db2.gz	OMMWAMIGTQIVOQ-DTWKUNHWSA-N	-1	1	315.399	-1.477	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3ccn[nH]3)[C@@H](O)C2)nc1=O	ZINC001090104940	775977733	/nfs/dbraw/zinc/97/77/33/775977733.db2.gz	PTWRCNIMNZSQOO-SCZZXKLOSA-N	-1	1	321.341	-1.803	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)nc1=O	ZINC001090110584	775983076	/nfs/dbraw/zinc/98/30/76/775983076.db2.gz	AEPMVFFEQUFVJP-UWVGGRQHSA-N	-1	1	321.341	-1.803	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3cocn3)[C@@H](O)C2)nc1=O	ZINC001090129426	775989690	/nfs/dbraw/zinc/98/96/90/775989690.db2.gz	PHIAEHRMQPVDQG-SCZZXKLOSA-N	-1	1	322.325	-1.538	20	0		DAADMM
C[C@H]1C[C@H]1C(=O)NCCC(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001128633521	776002961	/nfs/dbraw/zinc/00/29/61/776002961.db2.gz	NJTNGWHPWXMAJX-DTWKUNHWSA-N	-1	1	310.358	-1.122	20	0		DAADMM
C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001128633523	776003334	/nfs/dbraw/zinc/00/33/34/776003334.db2.gz	NJTNGWHPWXMAJX-IUCAKERBSA-N	-1	1	310.358	-1.122	20	0		DAADMM
O=C(CN1CCCS1(=O)=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001128814435	776025359	/nfs/dbraw/zinc/02/53/59/776025359.db2.gz	QBFWGNTZVPUSBM-UHFFFAOYSA-N	-1	1	318.359	-2.248	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)c1ccc2n[nH]nc2n1	ZINC001128879848	776031751	/nfs/dbraw/zinc/03/17/51/776031751.db2.gz	MIPRCJGTUSJPEW-UHFFFAOYSA-N	-1	1	303.286	-1.304	20	0		DAADMM
CNC(=O)CN1CC[C@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC001090215566	776039492	/nfs/dbraw/zinc/03/94/92/776039492.db2.gz	HABRUZUXSLMNMC-ONGXEEELSA-N	-1	1	308.338	-1.302	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3cnon3)[C@@H](O)C2)nc1=O	ZINC001083877733	776068844	/nfs/dbraw/zinc/06/88/44/776068844.db2.gz	LPVUKJTVOAZRCX-SFYZADRCSA-N	-1	1	309.286	-2.534	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)C3(C)CC3)[C@H](O)C2)nc1=O	ZINC001090287532	776081260	/nfs/dbraw/zinc/08/12/60/776081260.db2.gz	WLNZHLAXZWAZEP-NXEZZACHSA-N	-1	1	309.370	-1.040	20	0		DAADMM
O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cnn[nH]1	ZINC001090389054	776133749	/nfs/dbraw/zinc/13/37/49/776133749.db2.gz	USFJRBJGCFIYSA-HTRCEHHLSA-N	-1	1	308.302	-2.006	20	0		DAADMM
O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cnn[nH]1	ZINC001090389057	776133842	/nfs/dbraw/zinc/13/38/42/776133842.db2.gz	USFJRBJGCFIYSA-XPUUQOCRSA-N	-1	1	308.302	-2.006	20	0		DAADMM
O=C(N[C@@H]1CN(CCF)C[C@@H]1O)c1cc(=O)n2[n-]cnc2n1	ZINC001083950723	776140965	/nfs/dbraw/zinc/14/09/65/776140965.db2.gz	YJWMOCFUFQZWMS-BDAKNGLRSA-N	-1	1	310.289	-1.838	20	0		DAADMM
COCCN1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](O)C1	ZINC001084000723	776152836	/nfs/dbraw/zinc/15/28/36/776152836.db2.gz	MXCGKHYPYMYIJS-SFYZADRCSA-N	-1	1	301.303	-2.503	20	0		DAADMM
Cn1nnc(C(=O)N[C@@H]2CCCC[C@H]2NCc2n[nH]c(=O)[n-]2)n1	ZINC001085300067	776206433	/nfs/dbraw/zinc/20/64/33/776206433.db2.gz	DGTPAUHZQIHTAM-HTQZYQBOSA-N	-1	1	321.345	-1.135	20	0		DAADMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@H]1CCC(=O)N1	ZINC001085518439	776211131	/nfs/dbraw/zinc/21/11/31/776211131.db2.gz	RMZLLTYLUFSXED-VHSXEESVSA-N	-1	1	322.369	-1.580	20	0		DAADMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1cn[nH]n1	ZINC001085692948	776218684	/nfs/dbraw/zinc/21/86/84/776218684.db2.gz	UJTTWZAPMMATHG-QMMMGPOBSA-N	-1	1	306.330	-1.427	20	0		DAADMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1CNC(=O)N1	ZINC001085793106	776225679	/nfs/dbraw/zinc/22/56/79/776225679.db2.gz	BXFHPBZKENTZAS-IUCAKERBSA-N	-1	1	323.357	-2.178	20	0		DAADMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1cnn(C)n1	ZINC001085870446	776230008	/nfs/dbraw/zinc/23/00/08/776230008.db2.gz	UBZBQMIMJYNZMV-SECBINFHSA-N	-1	1	320.357	-1.417	20	0		DAADMM
CN(C[C@H]1CCN1CC(N)=O)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001085923929	776230773	/nfs/dbraw/zinc/23/07/73/776230773.db2.gz	KLKZTGLIRSYSDJ-MRVPVSSYSA-N	-1	1	319.325	-1.951	20	0		DAADMM
COCCOCC(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001112718412	776363602	/nfs/dbraw/zinc/36/36/02/776363602.db2.gz	JOEHANWCDXDQEO-UHFFFAOYSA-N	-1	1	313.358	-1.584	20	0		DAADMM
CNC(=O)CCCC(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001112779093	776374499	/nfs/dbraw/zinc/37/44/99/776374499.db2.gz	HDONORHBGYSBLE-UHFFFAOYSA-N	-1	1	324.385	-1.331	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)CCCCC(N)=O)CC2)nc1=O	ZINC001113509680	776411715	/nfs/dbraw/zinc/41/17/15/776411715.db2.gz	DJTKMFGUGBONOQ-UHFFFAOYSA-N	-1	1	324.385	-1.202	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3cnco3)[C@@H](O)C2)nc1=O	ZINC001090466356	776426193	/nfs/dbraw/zinc/42/61/93/776426193.db2.gz	KAEJIWVGDBGFSL-BDAKNGLRSA-N	-1	1	322.325	-1.538	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3cnco3)[C@@H](O)C2)nc1=O	ZINC001090466358	776426621	/nfs/dbraw/zinc/42/66/21/776426621.db2.gz	KAEJIWVGDBGFSL-IUCAKERBSA-N	-1	1	322.325	-1.538	20	0		DAADMM
O=C(CCCN1C(=O)CNC1=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001170375427	776430117	/nfs/dbraw/zinc/43/01/17/776430117.db2.gz	MRWROMFZSMNSNJ-MRVPVSSYSA-N	-1	1	323.313	-1.568	20	0		DAADMM
O=C(CCCN1C(=O)CNC1=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001170375428	776430756	/nfs/dbraw/zinc/43/07/56/776430756.db2.gz	MRWROMFZSMNSNJ-QMMMGPOBSA-N	-1	1	323.313	-1.568	20	0		DAADMM
O=C(NCCNCc1n[nH]c(C2CC2)n1)c1n[nH]c(=O)[n-]c1=O	ZINC001130862657	776539055	/nfs/dbraw/zinc/53/90/55/776539055.db2.gz	CPGOAEWRUJVEJI-UHFFFAOYSA-N	-1	1	320.313	-1.202	20	0		DAADMM
Cc1ncc(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)cn1	ZINC001130863426	776540323	/nfs/dbraw/zinc/54/03/23/776540323.db2.gz	PFYZULRPPIAJBE-UHFFFAOYSA-N	-1	1	305.298	-1.099	20	0		DAADMM
NC(=O)N1CCC[C@@H](C(=O)NCCNCc2n[nH]c(=O)[n-]2)C1	ZINC001131010949	776552800	/nfs/dbraw/zinc/55/28/00/776552800.db2.gz	JKRJDBQDJMWVTM-MRVPVSSYSA-N	-1	1	311.346	-1.493	20	0		DAADMM
CC(=O)N1CCC[C@H](C(=O)NCCNCc2n[nH]c(=O)[n-]2)C1	ZINC001131013679	776552869	/nfs/dbraw/zinc/55/28/69/776552869.db2.gz	CCZKSSOPQXBZAT-JTQLQIEISA-N	-1	1	310.358	-1.025	20	0		DAADMM
NC(=O)N1CCC[C@H](C(=O)NCCNCc2n[nH]c(=O)[n-]2)C1	ZINC001131010950	776552975	/nfs/dbraw/zinc/55/29/75/776552975.db2.gz	JKRJDBQDJMWVTM-QMMMGPOBSA-N	-1	1	311.346	-1.493	20	0		DAADMM
CCC[C@@H](C(=O)NCCNCc1n[nH]c(=O)[n-]1)S(N)(=O)=O	ZINC001131777761	776591040	/nfs/dbraw/zinc/59/10/40/776591040.db2.gz	UJTYZCOOCFNQFR-ZETCQYMHSA-N	-1	1	320.375	-1.827	20	0		DAADMM
C[C@@H]1CC[C@H](NC(=O)CC(N)=O)CN1Cc1nc(=O)n(C)[n-]1	ZINC001131933939	776602213	/nfs/dbraw/zinc/60/22/13/776602213.db2.gz	BSYHEJWWBXXMJL-BDAKNGLRSA-N	-1	1	310.358	-1.547	20	0		DAADMM
Cn1c(=O)[nH]cc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)c1=O	ZINC001132242116	776612669	/nfs/dbraw/zinc/61/26/69/776612669.db2.gz	JDKFDZBEDFHPSR-UHFFFAOYSA-N	-1	1	309.286	-2.171	20	0		DAADMM
Cc1ccn(CC(=O)NCCNCc2n[nH]c(=O)[n-]2)c(=O)c1	ZINC001134539992	776712843	/nfs/dbraw/zinc/71/28/43/776712843.db2.gz	JGHUWNURIKCFMM-UHFFFAOYSA-N	-1	1	306.326	-1.114	20	0		DAADMM
CC(C)(NS(C)(=O)=O)C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001134963362	776731647	/nfs/dbraw/zinc/73/16/47/776731647.db2.gz	GSWICSHIWIRUBT-UHFFFAOYSA-N	-1	1	320.375	-1.956	20	0		DAADMM
Cn1cnnc1CNCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001135387335	776753875	/nfs/dbraw/zinc/75/38/75/776753875.db2.gz	PCLRSKIDCGHUGI-UHFFFAOYSA-N	-1	1	321.341	-2.039	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCNCc1csnn1	ZINC001135386681	776754916	/nfs/dbraw/zinc/75/49/16/776754916.db2.gz	CMXKMFNXCRRNGS-UHFFFAOYSA-N	-1	1	324.366	-1.316	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)c1nc2ncccn2n1	ZINC001135553774	776761924	/nfs/dbraw/zinc/76/19/24/776761924.db2.gz	GTIZKCBRNKFSLJ-UHFFFAOYSA-N	-1	1	303.286	-1.532	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)C1(N2CCOCC2)CCC1	ZINC001136105784	776779727	/nfs/dbraw/zinc/77/97/27/776779727.db2.gz	KIQKYYCWTVGSGX-UHFFFAOYSA-N	-1	1	324.385	-1.029	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3cnon3)[C@@H](O)C2)nc1=O	ZINC001090663187	776814016	/nfs/dbraw/zinc/81/40/16/776814016.db2.gz	JSUHMOGLYQCIOH-CBAPKCEASA-N	-1	1	323.313	-2.143	20	0		DAADMM
O=C(N[C@@H]1CCN(CCF)C[C@@H]1O)c1cc(=O)n2[n-]cnc2n1	ZINC001090724097	776833799	/nfs/dbraw/zinc/83/37/99/776833799.db2.gz	FMYUPYRPJDGAQO-SCZZXKLOSA-N	-1	1	324.316	-1.448	20	0		DAADMM
C[C@@]1(C2CCN(C(=O)CCc3nn[n-]n3)CC2)NC(=O)NC1=O	ZINC001293999259	777977648	/nfs/dbraw/zinc/97/76/48/777977648.db2.gz	GRUIUDHJRZDMBF-ZDUSSCGKSA-N	-1	1	321.341	-1.031	20	0		DAADMM
CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)CCc2nn[n-]n2)C1=O	ZINC001294364842	777982649	/nfs/dbraw/zinc/98/26/49/777982649.db2.gz	GMJVVUKERHJPEN-AMIZOPFISA-N	-1	1	321.341	-1.031	20	0		DAADMM
NC(=O)N1CC[C@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001297589393	778049354	/nfs/dbraw/zinc/04/93/54/778049354.db2.gz	SQYNFQPBGRZMDC-SECBINFHSA-N	-1	1	309.326	-1.557	20	0		DAADMM
C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C1N=NC(=O)N1C	ZINC001300075310	778094482	/nfs/dbraw/zinc/09/44/82/778094482.db2.gz	VNGRHLCSFKBLHC-ZETCQYMHSA-N	-1	1	308.298	-1.362	20	0		DAADMM
O=C(CC[C@H]1NC(=O)NC1=O)N1CCC(c2nn[n-]n2)CC1	ZINC001302753924	778096478	/nfs/dbraw/zinc/09/64/78/778096478.db2.gz	YLBFFNFPBJKEPL-MRVPVSSYSA-N	-1	1	307.314	-1.106	20	0		DAADMM
O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC(c2nn[n-]n2)CC1	ZINC001302753925	778096588	/nfs/dbraw/zinc/09/65/88/778096588.db2.gz	YLBFFNFPBJKEPL-QMMMGPOBSA-N	-1	1	307.314	-1.106	20	0		DAADMM
CN(C)C(=O)CCC[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001309098632	778103368	/nfs/dbraw/zinc/10/33/68/778103368.db2.gz	IFSZFRXXQPJPFD-UHFFFAOYSA-N	-1	1	318.355	-1.367	20	0		DAADMM
O=C([O-])[C@@]1(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)CNCCO1	ZINC001121966370	779552837	/nfs/dbraw/zinc/55/28/37/779552837.db2.gz	QDSIROYMYMYUOP-UWVGGRQHSA-N	-1	1	312.244	-1.045	20	0		DAADMM
O=C(C[C@@H]1CC(=O)NC1=O)N1CCSC[C@H]1c1nn[n-]n1	ZINC001138437047	779612670	/nfs/dbraw/zinc/61/26/70/779612670.db2.gz	DURGQMKMOJCZHV-BQBZGAKWSA-N	-1	1	310.339	-1.131	20	0		DAADMM
CS(=O)(=O)CCCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001142659657	779622955	/nfs/dbraw/zinc/62/29/55/779622955.db2.gz	SUFFSFXTRUAHKQ-UHFFFAOYSA-N	-1	1	317.367	-1.132	20	0		DAADMM
CCc1nc([C@@H](C)NCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n[nH]1	ZINC001149161708	779623964	/nfs/dbraw/zinc/62/39/64/779623964.db2.gz	ZRTYOYBLQDGGCL-SSDOTTSWSA-N	-1	1	324.345	-1.163	20	0		DAADMM
CCc1nc([C@H](C)NCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n[nH]1	ZINC001149161709	779623971	/nfs/dbraw/zinc/62/39/71/779623971.db2.gz	ZRTYOYBLQDGGCL-ZETCQYMHSA-N	-1	1	324.345	-1.163	20	0		DAADMM
Cc1nn(CC(=O)NCCNCc2n[nH]c(=O)[n-]2)c(=O)n1C	ZINC001149576722	779637916	/nfs/dbraw/zinc/63/79/16/779637916.db2.gz	LYDAJVVNPUPZRL-UHFFFAOYSA-N	-1	1	310.318	-2.380	20	0		DAADMM
NC(=O)c1cncc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)c1	ZINC001151318122	779675761	/nfs/dbraw/zinc/67/57/61/779675761.db2.gz	KYBARGIPDDZYFS-UHFFFAOYSA-N	-1	1	305.298	-1.476	20	0		DAADMM
Cn1nc(C2CC2)nc1CC(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001151723754	779682770	/nfs/dbraw/zinc/68/27/70/779682770.db2.gz	URKBFKQMQNJMIO-UHFFFAOYSA-N	-1	1	320.357	-1.035	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)[C@H](C1CC1)N1CCOCC1	ZINC001151815229	779683281	/nfs/dbraw/zinc/68/32/81/779683281.db2.gz	RPWIPHAMOJQYGU-LBPRGKRZSA-N	-1	1	324.385	-1.173	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)[C@@H](C1CC1)N1CCOCC1	ZINC001151815228	779683816	/nfs/dbraw/zinc/68/38/16/779683816.db2.gz	RPWIPHAMOJQYGU-GFCCVEGCSA-N	-1	1	324.385	-1.173	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)[C@H]1CCc2nncn2C1	ZINC001152157138	779687922	/nfs/dbraw/zinc/68/79/22/779687922.db2.gz	RWYOXBZTRYZCHI-QMMMGPOBSA-N	-1	1	306.330	-1.430	20	0		DAADMM
NC(=O)Cn1cc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)nn1	ZINC001152414653	779692167	/nfs/dbraw/zinc/69/21/67/779692167.db2.gz	HGFVEBKIXXNLOT-UHFFFAOYSA-N	-1	1	309.290	-2.893	20	0		DAADMM
CN1CC(=O)N(CC(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)C1=O	ZINC001155134099	779730122	/nfs/dbraw/zinc/73/01/22/779730122.db2.gz	AOQVATJZEXLUAK-SECBINFHSA-N	-1	1	321.341	-1.125	20	0		DAADMM
CCOC(=O)[C@H](COC)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001155233217	779731665	/nfs/dbraw/zinc/73/16/65/779731665.db2.gz	OJTKLAYRINOXHM-VIFPVBQESA-N	-1	1	313.310	-1.379	20	0		DAADMM
COC(=O)N1CC(C)(NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001155409083	779732757	/nfs/dbraw/zinc/73/27/57/779732757.db2.gz	NBIMJGDNJRRERP-UHFFFAOYSA-N	-1	1	310.310	-1.116	20	0		DAADMM
C[C@H]1[C@H](Nc2ncnc3c2CCNC3)C(=O)N1S(=O)(=O)[O-]	ZINC001157067683	779747937	/nfs/dbraw/zinc/74/79/37/779747937.db2.gz	NAIAFKKAFUTGEH-RCOVLWMOSA-N	-1	1	313.339	-1.064	20	0		DAADMM
Cc1cc2c(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n1)C(=O)[N-]C2=O	ZINC001157278699	779750440	/nfs/dbraw/zinc/75/04/40/779750440.db2.gz	ISMXNDRDZCTFCK-IALJFVCMSA-N	-1	1	307.306	-1.212	20	0		DAADMM
N=C(NC(=O)[C@@H](N)Cc1nnn[n-]1)n1nnc2ccccc21	ZINC001157422224	779754778	/nfs/dbraw/zinc/75/47/78/779754778.db2.gz	JQNRFYKZRFIWJV-LURJTMIESA-N	-1	1	300.286	-1.587	20	0		DAADMM
O=C(CCc1n[nH]c(=O)[n-]c1=O)NCCCNCc1cnon1	ZINC001161715753	779845548	/nfs/dbraw/zinc/84/55/48/779845548.db2.gz	VGCHLHHWTOOKFV-UHFFFAOYSA-N	-1	1	323.313	-1.106	20	0		DAADMM
Cn1ncc(CNCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1	ZINC001161862886	779846779	/nfs/dbraw/zinc/84/67/79/779846779.db2.gz	CQRBRIZJMAHCPT-UHFFFAOYSA-N	-1	1	308.302	-1.679	20	0		DAADMM
CCn1cc(CNCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)nn1	ZINC001161863638	779846867	/nfs/dbraw/zinc/84/68/67/779846867.db2.gz	MNUAVPMDLMUJCH-UHFFFAOYSA-N	-1	1	322.329	-1.196	20	0		DAADMM
Cn1cnnc1CNCCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001161872529	779846940	/nfs/dbraw/zinc/84/69/40/779846940.db2.gz	GVQNYTHOBDBTRT-UHFFFAOYSA-N	-1	1	308.302	-1.679	20	0		DAADMM
Cc1nonc1CNCCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001161863635	779847005	/nfs/dbraw/zinc/84/70/05/779847005.db2.gz	MMYCERYSFDQVDS-UHFFFAOYSA-N	-1	1	309.286	-1.116	20	0		DAADMM
Cn1ncnc1CNCCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001161864225	779847161	/nfs/dbraw/zinc/84/71/61/779847161.db2.gz	ZTQUZMQDYNPGFT-UHFFFAOYSA-N	-1	1	308.302	-1.679	20	0		DAADMM
Cn1nc(-n2c3[n-]c(=O)sc3c(=O)nc2N)c(=O)n(C)c1=O	ZINC001163047512	779864117	/nfs/dbraw/zinc/86/41/17/779864117.db2.gz	BIJNTYNTOXFAJO-UHFFFAOYSA-N	-1	1	323.294	-1.835	20	0		DAADMM
NC(=O)NCC(=O)NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1	ZINC001163349470	779867545	/nfs/dbraw/zinc/86/75/45/779867545.db2.gz	ZDVZNMYFABTAOF-UHFFFAOYSA-N	-1	1	311.346	-1.445	20	0		DAADMM
Cn1cc(CNCCCNC(=O)c2cnc([O-])n(C)c2=O)nn1	ZINC001163781421	779870466	/nfs/dbraw/zinc/87/04/66/779870466.db2.gz	IMXIQXBPEWEVRU-UHFFFAOYSA-N	-1	1	321.341	-1.476	20	0		DAADMM
O=C(NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1)[C@@H]1COC(=O)N1	ZINC001164351476	779877423	/nfs/dbraw/zinc/87/74/23/779877423.db2.gz	LDPNYMKMGOALAQ-QMMMGPOBSA-N	-1	1	324.341	-1.005	20	0		DAADMM
CCC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001214349481	779994010	/nfs/dbraw/zinc/99/40/10/779994010.db2.gz	ANWLDSWGWLPSOU-RKDXNWHRSA-N	-1	1	310.358	-1.027	20	0		DAADMM
C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001216721209	780014855	/nfs/dbraw/zinc/01/48/55/780014855.db2.gz	KUGPUWAFXHDQMD-HTQZYQBOSA-N	-1	1	311.346	-1.495	20	0		DAADMM
CC[C@H](OC)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001219325817	780080859	/nfs/dbraw/zinc/08/08/59/780080859.db2.gz	FJYRLUKLGSVZNX-UTLUCORTSA-N	-1	1	313.358	-1.805	20	0		DAADMM
COC[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001219356072	780083141	/nfs/dbraw/zinc/08/31/41/780083141.db2.gz	VNJKCUMLWHWEBA-AEJSXWLSSA-N	-1	1	313.358	-1.948	20	0		DAADMM
COC[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001219356073	780084805	/nfs/dbraw/zinc/08/48/05/780084805.db2.gz	VNJKCUMLWHWEBA-BBBLOLIVSA-N	-1	1	313.358	-1.948	20	0		DAADMM
Nc1cccc2c1CS(=O)(=O)N2C(=O)[C@@H](N)Cc1nn[n-]n1	ZINC001219415422	780094479	/nfs/dbraw/zinc/09/44/79/780094479.db2.gz	VOFIXOGBBFCGJS-QMMMGPOBSA-N	-1	1	323.338	-1.472	20	0		DAADMM
O=C(CCc1cnc[nH]1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001219774604	780147121	/nfs/dbraw/zinc/14/71/21/780147121.db2.gz	UYGCLJPPNNHYMR-ZJUUUORDSA-N	-1	1	321.341	-1.473	20	0		DAADMM
CCOCCN1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1	ZINC001219949776	780166242	/nfs/dbraw/zinc/16/62/42/780166242.db2.gz	UJHMOABVLSQMDV-SFYZADRCSA-N	-1	1	313.314	-1.906	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)CC(C)(F)F)[C@@H](O)C2)nc1=O	ZINC001220303176	780200259	/nfs/dbraw/zinc/20/02/59/780200259.db2.gz	CDDWNUDCPRFPSX-SFYZADRCSA-N	-1	1	319.312	-1.185	20	0		DAADMM
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)CCC(=O)[O-]	ZINC001220848772	780252875	/nfs/dbraw/zinc/25/28/75/780252875.db2.gz	IBYFWSAIBSDHPN-XPUUQOCRSA-N	-1	1	316.314	-2.756	20	0		DAADMM
NCC(=O)N1CCC[C@H]1C(=O)n1[n-]c2ccnc(=O)c-2c1N	ZINC001221237683	780284169	/nfs/dbraw/zinc/28/41/69/780284169.db2.gz	WBXCGYXJKZIDQZ-QMMMGPOBSA-N	-1	1	304.310	-1.152	20	0		DAADMM
CNC(=O)CC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001221503060	780295490	/nfs/dbraw/zinc/29/54/90/780295490.db2.gz	ARMHYYKIWMJEMW-NXEZZACHSA-N	-1	1	322.369	-1.723	20	0		DAADMM
C[C@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)OCc1nn[n-]n1	ZINC001223030621	780315007	/nfs/dbraw/zinc/31/50/07/780315007.db2.gz	YPPCSKLLMIWMCE-SSDOTTSWSA-N	-1	1	320.313	-1.448	20	0		DAADMM
C[C@H]1C[C@@H]1CN1C[C@@H]2C(C(=O)N=c3nn[n-]n3C)=NO[C@@H]2C1	ZINC001277133960	780334282	/nfs/dbraw/zinc/33/42/82/780334282.db2.gz	KWEGXQRFAPWOQA-QCLAVDOMSA-N	-1	1	305.342	-1.087	20	0		DAADMM
O=C([O-])C[C@H](C(=O)Oc1[nH+][nH]cc2nncc1-2)[C@H](O)C(=O)[O-]	ZINC001230901787	780375142	/nfs/dbraw/zinc/37/51/42/780375142.db2.gz	UOPNDOSHEXIUSV-NVNXEXLPSA-N	-1	1	310.222	-1.205	20	0		DAADMM
O=C(Oc1[nH+][nH]cc2nncc1-2)[C@H](O)COP(=O)([O-])[O-]	ZINC001230900417	780375224	/nfs/dbraw/zinc/37/52/24/780375224.db2.gz	HZJHXBUITMDYGP-ZCFIWIBFSA-N	-1	1	304.155	-1.272	20	0		DAADMM
COC(=O)CN1C[C@H](Oc2c(C(N)=O)nc(C)[n-]c2=O)CC1=O	ZINC001234470427	780408811	/nfs/dbraw/zinc/40/88/11/780408811.db2.gz	SSHWJSTYSBWLBQ-SSDOTTSWSA-N	-1	1	324.293	-1.258	20	0		DAADMM
COC(=O)CN1C[C@@H](Oc2c(=O)[n-]cnc2C(N)=O)CC1=O	ZINC001234467292	780409146	/nfs/dbraw/zinc/40/91/46/780409146.db2.gz	MOJDDIRAJHLKRP-LURJTMIESA-N	-1	1	310.266	-1.566	20	0		DAADMM
COC(=O)CN1C[C@@H](Oc2c(C(N)=O)nc(C)[n-]c2=O)CC1=O	ZINC001234470428	780409309	/nfs/dbraw/zinc/40/93/09/780409309.db2.gz	SSHWJSTYSBWLBQ-ZETCQYMHSA-N	-1	1	324.293	-1.258	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CC[C@@H](n2cncn2)C1	ZINC001255260819	780498062	/nfs/dbraw/zinc/49/80/62/780498062.db2.gz	ALEVRJBSPNLXHB-SNVBAGLBSA-N	-1	1	304.310	-1.008	20	0		DAADMM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C(C(N)=O)C(N)=O	ZINC001258452792	780522632	/nfs/dbraw/zinc/52/26/32/780522632.db2.gz	XYXAVFQWNYHIDT-UHFFFAOYSA-N	-1	1	309.735	-2.001	20	0		DAADMM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC(=O)NCC(N)=O	ZINC001258494718	780522986	/nfs/dbraw/zinc/52/29/86/780522986.db2.gz	XLYBENPQQBZSIN-UHFFFAOYSA-N	-1	1	323.762	-1.738	20	0		DAADMM
C[C@@H]1O[C@@H](OCC[N-]S(=O)(=O)C(F)F)[C@@H](O)[C@H](O)[C@@H]1O	ZINC001259964998	780528114	/nfs/dbraw/zinc/52/81/14/780528114.db2.gz	RDYWRGKKHHFLSP-FMGWEMOISA-N	-1	1	321.298	-2.028	20	0		DAADMM
O=C(c1cnsn1)N(CCO)CCNCc1n[nH]c(=O)[n-]1	ZINC001279666294	780624396	/nfs/dbraw/zinc/62/43/96/780624396.db2.gz	FSVMMQCKGGZITI-UHFFFAOYSA-N	-1	1	313.343	-1.414	20	0		DAADMM
O=C([C@H]1CNC(=O)N1)N1CC[C@@H](CCNCc2n[nH]c(=O)[n-]2)C1	ZINC001280174634	780631733	/nfs/dbraw/zinc/63/17/33/780631733.db2.gz	YVRZISHQOSATHV-RKDXNWHRSA-N	-1	1	323.357	-1.480	20	0		DAADMM
CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001281390453	780680861	/nfs/dbraw/zinc/68/08/61/780680861.db2.gz	LQXNTPJVSQTZFD-BDAKNGLRSA-N	-1	1	310.358	-1.027	20	0		DAADMM
COCCC(=O)NCCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001283161251	780747658	/nfs/dbraw/zinc/74/76/58/780747658.db2.gz	VITIARLEHJAPHY-UHFFFAOYSA-N	-1	1	322.325	-1.310	20	0		DAADMM
COCC(=O)N[C@@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001283352009	780757182	/nfs/dbraw/zinc/75/71/82/780757182.db2.gz	FKMFNFHSQKHHMY-SNVBAGLBSA-N	-1	1	324.337	-1.710	20	0		DAADMM
CN(CCOCCNC(=O)c1cnco1)Cc1nc(=O)n(C)[n-]1	ZINC001283401105	780760120	/nfs/dbraw/zinc/76/01/20/780760120.db2.gz	YGINPISPOJWSBX-UHFFFAOYSA-N	-1	1	324.341	-1.025	20	0		DAADMM
O=C(Cn1cnnn1)NC/C=C/CNC(=O)c1ncccc1[O-]	ZINC001285469233	780873615	/nfs/dbraw/zinc/87/36/15/780873615.db2.gz	FDPAKKZRAUYJJS-OWOJBTEDSA-N	-1	1	317.309	-1.124	20	0		DAADMM
C[C@@H](CNC(=O)C(F)F)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001285755326	780886637	/nfs/dbraw/zinc/88/66/37/780886637.db2.gz	JAOCVTOLOQXYCV-ZETCQYMHSA-N	-1	1	318.280	-1.187	20	0		DAADMM
CN(C(=O)CCn1cc[n-]c(=O)c1=O)C1CN(C(=O)C(N)=O)C1	ZINC001286024523	780902894	/nfs/dbraw/zinc/90/28/94/780902894.db2.gz	CGBZDGYNNXVOMY-UHFFFAOYSA-N	-1	1	323.309	-2.919	20	0		DAADMM
CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCc1nn[n-]n1	ZINC001146245161	781412241	/nfs/dbraw/zinc/41/22/41/781412241.db2.gz	CNSFYWCCPIQFRV-UHFFFAOYSA-N	-1	1	313.318	-1.543	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3CN(C(=O)CC(N)=O)C[C@]3(C)C2)nc1=O	ZINC001091555023	781413503	/nfs/dbraw/zinc/41/35/03/781413503.db2.gz	LXFUKSUCEILZPP-OTYXRUKQSA-N	-1	1	322.369	-1.736	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)c1cn([C@H]2CCOC2)nn1	ZINC001147013759	781429021	/nfs/dbraw/zinc/42/90/21/781429021.db2.gz	FCSHGYDAQAZBLA-QMMMGPOBSA-N	-1	1	322.329	-1.417	20	0		DAADMM
NC(=O)N1CCCC[C@@H]1C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001147322362	781438963	/nfs/dbraw/zinc/43/89/63/781438963.db2.gz	ZLNPWWLHMLAWJT-MRVPVSSYSA-N	-1	1	311.346	-1.351	20	0		DAADMM
CN1CCCC[C@H](C(=O)NCCNCc2n[nH]c(=O)[n-]2)C1=O	ZINC001147634878	781448867	/nfs/dbraw/zinc/44/88/67/781448867.db2.gz	XJMOZJGSGARQHX-SECBINFHSA-N	-1	1	310.358	-1.025	20	0		DAADMM
Cc1nonc1CNCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001147705561	781455446	/nfs/dbraw/zinc/45/54/46/781455446.db2.gz	KSGXXVAXMWQZDQ-UHFFFAOYSA-N	-1	1	318.297	-1.371	20	0		DAADMM
O=C(NCCNCc1cnsn1)c1cc(=O)n2[n-]cnc2n1	ZINC001147712200	781455541	/nfs/dbraw/zinc/45/55/41/781455541.db2.gz	NLOOFMQMFUUXNW-UHFFFAOYSA-N	-1	1	320.338	-1.211	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCNCc1cnon1	ZINC001147697522	781456002	/nfs/dbraw/zinc/45/60/02/781456002.db2.gz	DBMCRUOQPKQHQJ-UHFFFAOYSA-N	-1	1	310.270	-1.201	20	0		DAADMM
O=C(NCCNCc1nncs1)c1cc(=O)n2[n-]cnc2n1	ZINC001147712887	781456267	/nfs/dbraw/zinc/45/62/67/781456267.db2.gz	ZIMMTBYCWIHILL-UHFFFAOYSA-N	-1	1	320.338	-1.211	20	0		DAADMM
Cc1ncc(CO)c(C(=O)N2CC(N3CCNC(=O)C3)C2)c1[O-]	ZINC001147838542	781458755	/nfs/dbraw/zinc/45/87/55/781458755.db2.gz	RQVOLYPJVQDLHB-UHFFFAOYSA-N	-1	1	320.349	-1.156	20	0		DAADMM
C[C@@H]1CN(CC(N)=O)C[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O	ZINC001092879240	781503109	/nfs/dbraw/zinc/50/31/09/781503109.db2.gz	LCFOXWLGHNHOHM-RKDXNWHRSA-N	-1	1	323.353	-1.731	20	0		DAADMM
CC(=O)N1CC(n2cc(CNCc3nc(=O)n(C)[n-]3)nn2)C1	ZINC001093295268	781509472	/nfs/dbraw/zinc/50/94/72/781509472.db2.gz	UATSBWOBNWBSEP-UHFFFAOYSA-N	-1	1	306.330	-1.607	20	0		DAADMM
CC(=O)NCc1cn(C2CN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001094265305	781534957	/nfs/dbraw/zinc/53/49/57/781534957.db2.gz	YFNZXASYCKLAQI-UHFFFAOYSA-N	-1	1	306.330	-1.607	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)NCCCNCc1ncccn1	ZINC001174713434	781597966	/nfs/dbraw/zinc/59/79/66/781597966.db2.gz	NGRFAAQPMPVLLH-UHFFFAOYSA-N	-1	1	307.314	-1.225	20	0		DAADMM
CCS(=O)(=O)NC1CCN(C(=O)Cc2nn[n-]n2)CC1	ZINC001176842305	781623088	/nfs/dbraw/zinc/62/30/88/781623088.db2.gz	GLYZSDZRNXVYDW-UHFFFAOYSA-N	-1	1	302.360	-1.328	20	0		DAADMM
CS(=O)(=O)N1C[C@H]2CCCN(C(=O)Cc3nn[n-]n3)[C@H]2C1	ZINC001176840011	781623187	/nfs/dbraw/zinc/62/31/87/781623187.db2.gz	FVXGNZCNEHDXNN-BDAKNGLRSA-N	-1	1	314.371	-1.375	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1	ZINC001176840295	781623337	/nfs/dbraw/zinc/62/33/37/781623337.db2.gz	OQUCRQVXBJMGCV-ZJUUUORDSA-N	-1	1	316.325	-1.352	20	0		DAADMM
CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)Cc3nn[n-]n3)C[C@H]21	ZINC001176840524	781623569	/nfs/dbraw/zinc/62/35/69/781623569.db2.gz	QSPPOIUDHLTASC-KXUCPTDWSA-N	-1	1	308.342	-1.258	20	0		DAADMM
CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nn[n-]n2)C1	ZINC001176844756	781624766	/nfs/dbraw/zinc/62/47/66/781624766.db2.gz	JIIJBNSYSPGKCL-HTQZYQBOSA-N	-1	1	312.330	-1.161	20	0		DAADMM
COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)Cc1nn[n-]n1	ZINC001176847126	781625376	/nfs/dbraw/zinc/62/53/76/781625376.db2.gz	JGXGDQYBJPJDBP-VIFPVBQESA-N	-1	1	307.314	-1.234	20	0		DAADMM
O=C(Cc1nn[nH]n1)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001176844709	781625408	/nfs/dbraw/zinc/62/54/08/781625408.db2.gz	HAXKIONOUNVHLG-UHFFFAOYSA-N	-1	1	308.279	-1.187	20	0		DAADMM
C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001178193707	781644605	/nfs/dbraw/zinc/64/46/05/781644605.db2.gz	GPSUHYVZIAPEHF-BDAKNGLRSA-N	-1	1	315.351	-1.524	20	0		DAADMM
C[C@H](C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)N1CCCC1	ZINC001180586259	781673839	/nfs/dbraw/zinc/67/38/39/781673839.db2.gz	VAICPQVKGBGRNZ-YIZRAAEISA-N	-1	1	305.356	-1.011	20	0		DAADMM
C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)NCc1nn[n-]n1	ZINC001182192409	781700211	/nfs/dbraw/zinc/70/02/11/781700211.db2.gz	YPUMMZJEBKUPQN-KCJUWKMLSA-N	-1	1	304.310	-1.005	20	0		DAADMM
Cn1cc(N2C[C@@H](C(=O)NN3CC(=O)[N-]C3=O)CCC2=O)cn1	ZINC001182302768	781704513	/nfs/dbraw/zinc/70/45/13/781704513.db2.gz	JPHFAJWRBFKNTE-QMMMGPOBSA-N	-1	1	320.309	-1.254	20	0		DAADMM
CN(CC(=O)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21)S(C)(=O)=O	ZINC001182882597	781715351	/nfs/dbraw/zinc/71/53/51/781715351.db2.gz	FCUQFMGFVVNEOV-UHFFFAOYSA-N	-1	1	316.299	-1.454	20	0		DAADMM
CS(=O)(=O)N1CC(C(=O)NCCCC[P@](=O)([O-])O)C1	ZINC001183025512	781720604	/nfs/dbraw/zinc/72/06/04/781720604.db2.gz	OQFCHXCEXIRMNY-UHFFFAOYSA-N	-1	1	314.300	-1.048	20	0		DAADMM
CS(=O)(=O)N1CC(C(=O)Nc2[n-]c(=O)nc3nc[nH]c32)C1	ZINC001183025700	781721074	/nfs/dbraw/zinc/72/10/74/781721074.db2.gz	RWRIRJSIZBQOPX-UHFFFAOYSA-N	-1	1	312.311	-1.112	20	0		DAADMM
CN(CC(=O)N1CCN2CC[C@@H]2C1)C(N)=[NH+]P(=O)([O-])[O-]	ZINC001185662212	781763410	/nfs/dbraw/zinc/76/34/10/781763410.db2.gz	QOHHAYWESUDAIG-MRVPVSSYSA-N	-1	1	305.275	-1.548	20	0		DAADMM
COC(=O)[C@H]1CC[N@H+](CC(=O)NCCOP(=O)([O-])[O-])C1	ZINC001186116325	781774282	/nfs/dbraw/zinc/77/42/82/781774282.db2.gz	XJLPHJFXSDITFB-QMMMGPOBSA-N	-1	1	310.243	-1.293	20	0		DAADMM
COC(=O)[C@H]1CC[N@@H+](CC(=O)NCCOP(=O)([O-])[O-])C1	ZINC001186116325	781774286	/nfs/dbraw/zinc/77/42/86/781774286.db2.gz	XJLPHJFXSDITFB-QMMMGPOBSA-N	-1	1	310.243	-1.293	20	0		DAADMM
CC(=O)NCC(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001188684088	781822028	/nfs/dbraw/zinc/82/20/28/781822028.db2.gz	IOPZGJHKTJHIQV-SNVBAGLBSA-N	-1	1	310.358	-1.723	20	0		DAADMM
CC(=O)N(C)CC(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001188983275	781834197	/nfs/dbraw/zinc/83/41/97/781834197.db2.gz	QPSVBDZIOGKTLJ-LLVKDONJSA-N	-1	1	324.385	-1.381	20	0		DAADMM
Cc1[n-][nH]c2ncnc(=NC(=O)c3cc(=O)n(C)c(=O)n3C)c1-2	ZINC001189419658	781840125	/nfs/dbraw/zinc/84/01/25/781840125.db2.gz	GTHVIXJIVJWPIT-UHFFFAOYSA-N	-1	1	315.293	-1.315	20	0		DAADMM
CNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001191163664	781899512	/nfs/dbraw/zinc/89/95/12/781899512.db2.gz	ZGPXSVPOUYYEOT-JGVFFNPUSA-N	-1	1	324.341	-1.436	20	0		DAADMM
CS[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001191261244	781904077	/nfs/dbraw/zinc/90/40/77/781904077.db2.gz	CLAHVKNIZSCAPI-DJLDLDEBSA-N	-1	1	315.399	-1.479	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CC(F)(F)F)C2)nc1=O	ZINC001191514238	781913377	/nfs/dbraw/zinc/91/33/77/781913377.db2.gz	AYDXLUCXUFEPOJ-RNFRBKRXSA-N	-1	1	323.275	-1.278	20	0		DAADMM
CO[C@@H](C)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001191650868	781918648	/nfs/dbraw/zinc/91/86/48/781918648.db2.gz	AJTAEMSRZQKIEN-IVZWLZJFSA-N	-1	1	313.358	-1.805	20	0		DAADMM
C[C@@H](C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1)S(C)(=O)=O	ZINC001377214981	921785209	/nfs/dbraw/zinc/78/52/09/921785209.db2.gz	ADQFDKTWQOXYNP-QMMMGPOBSA-N	-1	1	319.387	-1.911	20	0		DAADMM
CCN(CCNC(=O)CCn1cnnn1)Cc1nc(=O)n(C)[n-]1	ZINC001377346212	921806722	/nfs/dbraw/zinc/80/67/22/921806722.db2.gz	AMRBQBFXHNNMMF-UHFFFAOYSA-N	-1	1	323.361	-1.877	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3ccon3)[C@@H](O)C2)nc1=O	ZINC001090097218	916107555	/nfs/dbraw/zinc/10/75/55/916107555.db2.gz	WILCEZPOCYCRHT-SCZZXKLOSA-N	-1	1	322.325	-1.538	20	0		DAADMM
C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001088550033	916109035	/nfs/dbraw/zinc/10/90/35/916109035.db2.gz	MGVRTFMEYXQXBE-VGMNWLOBSA-N	-1	1	324.341	-1.704	20	0		DAADMM
O=C(CN1C(=O)CNC1=O)N[C@H](c1nn[n-]n1)c1ccccc1	ZINC001318108628	916371583	/nfs/dbraw/zinc/37/15/83/916371583.db2.gz	WZGOLZXXBQLZRW-NSHDSACASA-N	-1	1	315.293	-1.043	20	0		DAADMM
C[C@@H](CS(C)(=O)=O)N(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001318452563	916395422	/nfs/dbraw/zinc/39/54/22/916395422.db2.gz	VIAJQJVFMWDHLA-VIFPVBQESA-N	-1	1	317.367	-1.182	20	0		DAADMM
O=C(CCn1cc[nH]c(=O)c1=O)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001318461328	916396647	/nfs/dbraw/zinc/39/66/47/916396647.db2.gz	MUVMRRIGUSWKBL-MRVPVSSYSA-N	-1	1	321.297	-1.960	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCN2C(=O)NC(=O)[C@@H]2C1	ZINC001319902023	916453302	/nfs/dbraw/zinc/45/33/02/916453302.db2.gz	KQZUORFRPIVCHG-QMMMGPOBSA-N	-1	1	321.293	-2.311	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCN1CCNC(=O)C1	ZINC001319952980	916458245	/nfs/dbraw/zinc/45/82/45/916458245.db2.gz	SSMMOXUWHFDXLY-UHFFFAOYSA-N	-1	1	309.326	-2.525	20	0		DAADMM
CNC(=O)[C@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)CCO1	ZINC001320101519	916467195	/nfs/dbraw/zinc/46/71/95/916467195.db2.gz	GTLJKVRHZFUICJ-SECBINFHSA-N	-1	1	310.310	-2.100	20	0		DAADMM
COCCO[N-]C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	ZINC001321034297	916540926	/nfs/dbraw/zinc/54/09/26/916540926.db2.gz	BEUDYYJDNONCOB-UWVGGRQHSA-N	-1	1	320.367	-1.284	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NC[C@H](CO)[C@H]1CCOC1	ZINC001321268640	916558565	/nfs/dbraw/zinc/55/85/65/916558565.db2.gz	UVVGUHRGNAGPMI-WDEREUQCSA-N	-1	1	311.338	-1.312	20	0		DAADMM
COc1ccc(C(=O)NN2CC(=O)[N-]C2=O)cc1-n1cnnn1	ZINC001321410184	916574085	/nfs/dbraw/zinc/57/40/85/916574085.db2.gz	QMESBWKEQHOQFX-UHFFFAOYSA-N	-1	1	317.265	-1.133	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NC[C@H](O)C1CCOCC1	ZINC001322754721	916663121	/nfs/dbraw/zinc/66/31/21/916663121.db2.gz	YJWKZUXSQDFPEG-NSHDSACASA-N	-1	1	311.338	-1.170	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)C(=O)NC[C@@H]3COCCO3)ccnc1-2	ZINC001323186921	916698344	/nfs/dbraw/zinc/69/83/44/916698344.db2.gz	GVFLGAZTEOWAJX-SECBINFHSA-N	-1	1	319.321	-1.188	20	0		DAADMM
NC(=O)CN1CC[C@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001323321532	916710366	/nfs/dbraw/zinc/71/03/66/916710366.db2.gz	ZPANMAVCPMCUMP-VIFPVBQESA-N	-1	1	309.326	-2.398	20	0		DAADMM
Cn1cc(/C=C\c2cc(=O)n3[n-]cnc3n2)c(=O)n(C)c1=O	ZINC001324706849	916795880	/nfs/dbraw/zinc/79/58/80/916795880.db2.gz	LXMNGCMTDNXLMN-ARJAWSKDSA-N	-1	1	300.278	-1.015	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCCCC(N)=O)c(=O)n(C)c1=O	ZINC001324908036	916800297	/nfs/dbraw/zinc/80/02/97/916800297.db2.gz	WTLOXPIJEDDEHH-UHFFFAOYSA-N	-1	1	318.355	-1.982	20	0		DAADMM
Cc1cn(C)nc1C(=O)N(CCO)CCNCc1n[nH]c(=O)[n-]1	ZINC001326023021	916882878	/nfs/dbraw/zinc/88/28/78/916882878.db2.gz	OVGROTNSAZULAS-UHFFFAOYSA-N	-1	1	323.357	-1.223	20	0		DAADMM
COCCN1CC[C@@H](NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)C1	ZINC001326493656	916923993	/nfs/dbraw/zinc/92/39/93/916923993.db2.gz	UKHMKBKYIZJQGF-VXGBXAGGSA-N	-1	1	315.370	-1.092	20	0		DAADMM
C[C@@H]1C[C@H](NC(=O)CC(N)=O)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001328247625	917073657	/nfs/dbraw/zinc/07/36/57/917073657.db2.gz	ZMIMUUAKIBRYTQ-RKDXNWHRSA-N	-1	1	310.358	-1.547	20	0		DAADMM
CCN(C)C(=O)CNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001329079776	917139735	/nfs/dbraw/zinc/13/97/35/917139735.db2.gz	AUEJVTQYCROEMX-UHFFFAOYSA-N	-1	1	318.337	-1.125	20	0		DAADMM
Cn1nnc2c1CC[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2	ZINC001329924748	917211650	/nfs/dbraw/zinc/21/16/50/917211650.db2.gz	LPCBUNCYCLFACW-VIFPVBQESA-N	-1	1	318.337	-1.271	20	0		DAADMM
Cn1nnc2c1CC[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2	ZINC001329924747	917211684	/nfs/dbraw/zinc/21/16/84/917211684.db2.gz	LPCBUNCYCLFACW-SECBINFHSA-N	-1	1	318.337	-1.271	20	0		DAADMM
O=C(c1ccn2nnnc2c1)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001330835150	917265773	/nfs/dbraw/zinc/26/57/73/917265773.db2.gz	KREJVIQZZFCRLO-MRVPVSSYSA-N	-1	1	301.270	-1.149	20	0		DAADMM
Cc1n[nH]c(C(=O)NCCOCCN(C)[C@H](C)C(N)=O)c1[O-]	ZINC001331111390	917279765	/nfs/dbraw/zinc/27/97/65/917279765.db2.gz	RKUNSHBWZXTZIO-SECBINFHSA-N	-1	1	313.358	-1.024	20	0		DAADMM
NC(=O)C[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)CCO1	ZINC001331748591	917330979	/nfs/dbraw/zinc/33/09/79/917330979.db2.gz	RQXVFOZHOBHSTG-SECBINFHSA-N	-1	1	310.310	-1.971	20	0		DAADMM
CN1C(=O)CN(CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1=O	ZINC001334973584	917515834	/nfs/dbraw/zinc/51/58/34/917515834.db2.gz	URQDIDIZGIWSAD-SSDOTTSWSA-N	-1	1	309.286	-2.006	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCO[C@]2(CCOC2)C1	ZINC001338133332	917669532	/nfs/dbraw/zinc/66/95/32/917669532.db2.gz	JIKPJZFMOZSQPZ-CQSZACIVSA-N	-1	1	309.322	-1.055	20	0		DAADMM
O=C(Nc1cccc2c1OCO2)C(=O)NN1CC(=O)[N-]C1=O	ZINC001342449290	917786179	/nfs/dbraw/zinc/78/61/79/917786179.db2.gz	YYEPOKHPUPVMNS-UHFFFAOYSA-N	-1	1	306.234	-1.063	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCN(CCOC)C1	ZINC001346364046	917885353	/nfs/dbraw/zinc/88/53/53/917885353.db2.gz	XPRNJVBQKQBUMW-SNVBAGLBSA-N	-1	1	316.358	-1.993	20	0		DAADMM
CN(C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)[C@H]1CCNC1=O	ZINC001346544991	917892920	/nfs/dbraw/zinc/89/29/20/917892920.db2.gz	YLVHYYLFMKAPTK-JTQLQIEISA-N	-1	1	316.321	-1.373	20	0		DAADMM
Nc1ncc2c(n1)CN(C(=O)CCn1cc[n-]c(=O)c1=O)CC2	ZINC001348061666	917929413	/nfs/dbraw/zinc/92/94/13/917929413.db2.gz	ZGOPIQHFAKBJSX-UHFFFAOYSA-N	-1	1	316.321	-1.116	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCNC(=O)[C@@H]1CCOC1	ZINC001348593899	917955808	/nfs/dbraw/zinc/95/58/08/917955808.db2.gz	BLXZKXCCIFTKPR-SNVBAGLBSA-N	-1	1	324.337	-1.804	20	0		DAADMM
CC[C@H](OC)C(=O)NCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001348606038	917956715	/nfs/dbraw/zinc/95/67/15/917956715.db2.gz	FKYBWXZOWIVCGZ-VIFPVBQESA-N	-1	1	322.325	-1.311	20	0		DAADMM
C[C@@H]1C[C@H]1C(=O)NCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001349340592	918014106	/nfs/dbraw/zinc/01/41/06/918014106.db2.gz	ZCBLZWYLVOBOPR-NXEZZACHSA-N	-1	1	308.338	-1.185	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1CN(C)CCN1C	ZINC001349705675	918033309	/nfs/dbraw/zinc/03/33/09/918033309.db2.gz	FHTSXMNZSZXNIC-JTQLQIEISA-N	-1	1	315.374	-2.468	20	0		DAADMM
CCc1cc(=O)n2[n-]c(NC(=O)Cn3ncn(C)c3=O)nc2n1	ZINC001351269440	918089449	/nfs/dbraw/zinc/08/94/49/918089449.db2.gz	AMEJBFBZLYEVND-UHFFFAOYSA-N	-1	1	318.297	-1.486	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)C(=O)N3CCCNC(=O)C3)ccnc1-2	ZINC001352194922	918118941	/nfs/dbraw/zinc/11/89/41/918118941.db2.gz	XVEQKYGYZZTEQB-UHFFFAOYSA-N	-1	1	316.321	-1.371	20	0		DAADMM
O=C([O-])[C@@]1(C(=O)N2CCN(CC(F)F)CC2)CNCCO1	ZINC001353519271	918153596	/nfs/dbraw/zinc/15/35/96/918153596.db2.gz	XUPPQPWYLSGWLP-LBPRGKRZSA-N	-1	1	307.297	-1.161	20	0		DAADMM
COCCCN(CCOC)C(=O)[C@]1(C(=O)[O-])CNCCO1	ZINC001357203845	918276385	/nfs/dbraw/zinc/27/63/85/918276385.db2.gz	FSQPBOUHJBHOQW-ZDUSSCGKSA-N	-1	1	304.343	-1.059	20	0		DAADMM
COCCCN(CCOC)C(=O)[C@@]1(C(=O)[O-])CNCCO1	ZINC001357203828	918276456	/nfs/dbraw/zinc/27/64/56/918276456.db2.gz	FSQPBOUHJBHOQW-CYBMUJFWSA-N	-1	1	304.343	-1.059	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)Cn3cnc(C(N)=O)n3)ccnc1-2	ZINC001361430385	918369227	/nfs/dbraw/zinc/36/92/27/918369227.db2.gz	PBHIPYFVCXOIPB-UHFFFAOYSA-N	-1	1	300.282	-1.329	20	0		DAADMM
CN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1nn[n-]n1	ZINC001361565823	918380870	/nfs/dbraw/zinc/38/08/70/918380870.db2.gz	QXHQREOCKFBEPQ-UHFFFAOYSA-N	-1	1	309.311	-1.340	20	0		DAADMM
O=C(Cn1cnnn1)N1CCN(C(=O)c2ccc([O-])cn2)CC1	ZINC001361746008	918399526	/nfs/dbraw/zinc/39/95/26/918399526.db2.gz	XGGUOSKEZXVDLE-UHFFFAOYSA-N	-1	1	317.309	-1.242	20	0		DAADMM
NC(=O)c1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)nc1	ZINC001361784167	918403774	/nfs/dbraw/zinc/40/37/74/918403774.db2.gz	OLHJGSCJVNXSPY-SECBINFHSA-N	-1	1	303.282	-1.093	20	0		DAADMM
O=C([C@@H]1CCCS1(=O)=O)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001361785110	918404229	/nfs/dbraw/zinc/40/42/29/918404229.db2.gz	RAVCWDMHHSUZAO-YUMQZZPRSA-N	-1	1	301.328	-1.323	20	0		DAADMM
Cn1cc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c(=O)[nH]c1=O	ZINC001361782966	918404441	/nfs/dbraw/zinc/40/44/41/918404441.db2.gz	JPMIGGRMFIWJIV-SSDOTTSWSA-N	-1	1	307.270	-1.787	20	0		DAADMM
COCCN(C(=O)CCc1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1	ZINC001361806777	918409594	/nfs/dbraw/zinc/40/95/94/918409594.db2.gz	FUUZLXBZPQQFAH-SECBINFHSA-N	-1	1	317.371	-1.206	20	0		DAADMM
CNS(=O)(=O)[C@H]1CCCN(C(=O)CCc2nn[n-]n2)C1	ZINC001361833384	918415467	/nfs/dbraw/zinc/41/54/67/918415467.db2.gz	NMDLIZRRUKAVLH-QMMMGPOBSA-N	-1	1	302.360	-1.328	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC001361896923	918420337	/nfs/dbraw/zinc/42/03/37/918420337.db2.gz	FWOHNJJOBMCHPL-RXMQYKEDSA-N	-1	1	303.296	-1.187	20	0		DAADMM
CC(C)(C(N)=O)N1CCN(C(=O)CCCc2nn[n-]n2)CC1	ZINC001361946088	918430740	/nfs/dbraw/zinc/43/07/40/918430740.db2.gz	UBNFMDHMSNZABS-UHFFFAOYSA-N	-1	1	309.374	-1.070	20	0		DAADMM
CN1CCN(C)[C@@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001361965457	918433513	/nfs/dbraw/zinc/43/35/13/918433513.db2.gz	ZGADQFCTOYJXCQ-JTQLQIEISA-N	-1	1	319.369	-1.567	20	0		DAADMM
O=C([C@H]1CCS(=O)(=O)N1)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001362087851	918455666	/nfs/dbraw/zinc/45/56/66/918455666.db2.gz	GNSXPVOOIOODFB-RQJHMYQMSA-N	-1	1	302.316	-2.209	20	0		DAADMM
O=C(Cn1ccc(=O)[nH]c1=O)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001362244991	918486236	/nfs/dbraw/zinc/48/62/36/918486236.db2.gz	KNASPPPEYDVOTJ-ZETCQYMHSA-N	-1	1	307.270	-1.938	20	0		DAADMM
CS(=O)(=O)N1CC(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1	ZINC001362247587	918486406	/nfs/dbraw/zinc/48/64/06/918486406.db2.gz	UMCYMGMYPBPNCS-MRVPVSSYSA-N	-1	1	316.343	-2.009	20	0		DAADMM
COC1(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)CS(=O)(=O)C1	ZINC001362302421	918495054	/nfs/dbraw/zinc/49/50/54/918495054.db2.gz	TYWZUKOBXURFFD-SSDOTTSWSA-N	-1	1	303.344	-1.425	20	0		DAADMM
CS(=O)(=O)N1CC(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)C1	ZINC001362353706	918503720	/nfs/dbraw/zinc/50/37/20/918503720.db2.gz	KCMMRHHIOHXCBG-QMMMGPOBSA-N	-1	1	314.371	-1.203	20	0		DAADMM
CS(=O)(=O)N1CC(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)C1	ZINC001362353700	918504153	/nfs/dbraw/zinc/50/41/53/918504153.db2.gz	KCMMRHHIOHXCBG-MRVPVSSYSA-N	-1	1	314.371	-1.203	20	0		DAADMM
CN(C[C@@H](O)CN1CCOCC1)C(=O)CCCc1nn[n-]n1	ZINC001362400286	918512860	/nfs/dbraw/zinc/51/28/60/918512860.db2.gz	XLYJUCOGINGICI-LLVKDONJSA-N	-1	1	312.374	-1.326	20	0		DAADMM
NS(=O)(=O)CCCC(=O)N1CCC[C@H](c2nn[n-]n2)C1	ZINC001362406204	918513160	/nfs/dbraw/zinc/51/31/60/918513160.db2.gz	KLILPLXJDIPVCW-QMMMGPOBSA-N	-1	1	302.360	-1.026	20	0		DAADMM
CN(C[C@H](O)CN1CCOCC1)C(=O)CCCc1nn[n-]n1	ZINC001362400288	918513641	/nfs/dbraw/zinc/51/36/41/918513641.db2.gz	XLYJUCOGINGICI-NSHDSACASA-N	-1	1	312.374	-1.326	20	0		DAADMM
O=C(CN1CCNC(=O)C1)N1CCC(c2n[n-]c(=O)o2)CC1	ZINC001362431777	918518679	/nfs/dbraw/zinc/51/86/79/918518679.db2.gz	JKHMOPJWNVTIQC-UHFFFAOYSA-N	-1	1	309.326	-1.087	20	0		DAADMM
O=C(CCc1nn[n-]n1)NCCS(=O)(=O)C1CCOCC1	ZINC001362488875	918533892	/nfs/dbraw/zinc/53/38/92/918533892.db2.gz	CNFAZGLOKSOQGP-UHFFFAOYSA-N	-1	1	317.371	-1.158	20	0		DAADMM
NS(=O)(=O)[C@@H]1CCCN(C(=O)CCCc2nn[n-]n2)C1	ZINC001362490532	918533947	/nfs/dbraw/zinc/53/39/47/918533947.db2.gz	QSYQHIOFDKGFPO-MRVPVSSYSA-N	-1	1	302.360	-1.198	20	0		DAADMM
CO[C@]1(C(=O)N(C)C[C@H](C)c2nn[n-]n2)CCS(=O)(=O)C1	ZINC001362502723	918534829	/nfs/dbraw/zinc/53/48/29/918534829.db2.gz	RLLZYWVKJMJYGB-GZMMTYOYSA-N	-1	1	317.371	-1.035	20	0		DAADMM
O=C(c1cc2n(n1)CCO2)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001362559126	918548645	/nfs/dbraw/zinc/54/86/45/918548645.db2.gz	FNQWEBQPUYAZSX-UHFFFAOYSA-N	-1	1	305.298	-1.088	20	0		DAADMM
O=C(CCn1cnccc1=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001362560253	918549805	/nfs/dbraw/zinc/54/98/05/918549805.db2.gz	HBFNVZUHKKYBIM-UHFFFAOYSA-N	-1	1	319.325	-1.343	20	0		DAADMM
Cc1nnc(N2CCN(C(=O)CCc3nn[n-]n3)CC2)n1C	ZINC001362635987	918565024	/nfs/dbraw/zinc/56/50/24/918565024.db2.gz	XNLQVCZLGZURLN-UHFFFAOYSA-N	-1	1	305.346	-1.082	20	0		DAADMM
CN(C)S(=O)(=O)N1CCN(C(=O)c2cnncc2[O-])CC1	ZINC001362646750	918567068	/nfs/dbraw/zinc/56/70/68/918567068.db2.gz	GXAQTUSYXWFCOV-UHFFFAOYSA-N	-1	1	315.355	-1.254	20	0		DAADMM
O=C(CCCc1nn[n-]n1)NCC1(O)CCS(=O)(=O)CC1	ZINC001362655037	918570760	/nfs/dbraw/zinc/57/07/60/918570760.db2.gz	MKHGOJFKZTVNBY-UHFFFAOYSA-N	-1	1	317.371	-1.422	20	0		DAADMM
CNS(=O)(=O)NCC(=O)N1CCC[C@H](c2nn[n-]n2)C1	ZINC001362685812	918578003	/nfs/dbraw/zinc/57/80/03/918578003.db2.gz	GUCQVIUGSBCBSZ-ZETCQYMHSA-N	-1	1	303.348	-2.041	20	0		DAADMM
O=C([C@@H]1CCS(=O)(=O)C1)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001362721264	918587519	/nfs/dbraw/zinc/58/75/19/918587519.db2.gz	ANETXHPUNCAWTA-MRVPVSSYSA-N	-1	1	315.355	-1.556	20	0		DAADMM
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(O)(c3nn[n-]n3)CC2)C1	ZINC001362727556	918588844	/nfs/dbraw/zinc/58/88/44/918588844.db2.gz	SQEFWCUGHBCBKK-BDAKNGLRSA-N	-1	1	308.342	-1.089	20	0		DAADMM
O=C([C@@H]1CCS(=O)(=O)N1)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001362760456	918597752	/nfs/dbraw/zinc/59/77/52/918597752.db2.gz	LYWOAIVPJSKCBC-NKWVEPMBSA-N	-1	1	302.316	-2.209	20	0		DAADMM
O=C([C@H]1CCS(=O)(=O)N1)N1CCOC[C@H]1c1nn[n-]n1	ZINC001362760458	918598849	/nfs/dbraw/zinc/59/88/49/918598849.db2.gz	LYWOAIVPJSKCBC-RQJHMYQMSA-N	-1	1	302.316	-2.209	20	0		DAADMM
COC1(C(=O)N2CCOC[C@H]2c2nn[n-]n2)CS(=O)(=O)C1	ZINC001362760451	918599715	/nfs/dbraw/zinc/59/97/15/918599715.db2.gz	LSLHPTHUCFTPSL-ZETCQYMHSA-N	-1	1	317.327	-2.087	20	0		DAADMM
Cn1cnn(CC(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)c1=O	ZINC001362902775	918639777	/nfs/dbraw/zinc/63/97/77/918639777.db2.gz	GOGVPKLTRZEFSU-VIFPVBQESA-N	-1	1	306.330	-1.424	20	0		DAADMM
O=C(CN1CCNC(=O)C1)N1CCC[C@H](Cc2nn[n-]n2)C1	ZINC001362904996	918639871	/nfs/dbraw/zinc/63/98/71/918639871.db2.gz	KQQHOTBPWLZQNI-SNVBAGLBSA-N	-1	1	307.358	-1.587	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N1CCC(CO)(CO)C1	ZINC001363043201	918676723	/nfs/dbraw/zinc/67/67/23/918676723.db2.gz	PULVDYZOGHJFLB-UHFFFAOYSA-N	-1	1	309.322	-1.280	20	0		DAADMM
NC(=O)C[C@@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])CCO1	ZINC001363091854	918690713	/nfs/dbraw/zinc/69/07/13/918690713.db2.gz	LYIURNNTPKDIDY-SECBINFHSA-N	-1	1	322.321	-1.380	20	0		DAADMM
CCOC(=O)c1nc(CNC(=O)CN(C)C(=O)COC)n[n-]1	ZINC001363116840	918695333	/nfs/dbraw/zinc/69/53/33/918695333.db2.gz	HIXSADSPWACLHF-UHFFFAOYSA-N	-1	1	313.314	-1.298	20	0		DAADMM
CCOC(=O)c1n[n-]c(CNC(=O)CN(C)C(=O)COC)n1	ZINC001363116840	918695345	/nfs/dbraw/zinc/69/53/45/918695345.db2.gz	HIXSADSPWACLHF-UHFFFAOYSA-N	-1	1	313.314	-1.298	20	0		DAADMM
COCCS(=O)(=O)CC(=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001363117232	918695668	/nfs/dbraw/zinc/69/56/68/918695668.db2.gz	TXMGAWPARXBHRH-MRVPVSSYSA-N	-1	1	319.343	-1.839	20	0		DAADMM
COCCS(=O)(=O)CC(=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001363117234	918696027	/nfs/dbraw/zinc/69/60/27/918696027.db2.gz	TXMGAWPARXBHRH-QMMMGPOBSA-N	-1	1	319.343	-1.839	20	0		DAADMM
CS(=O)(=O)c1n[n-]c(NC(=O)C2CCS(=O)(=O)CC2)n1	ZINC001363106815	918696830	/nfs/dbraw/zinc/69/68/30/918696830.db2.gz	GBKKDBBZGBEDJR-UHFFFAOYSA-N	-1	1	322.368	-1.029	20	0		DAADMM
CS(=O)(=O)c1nnc(NC(=O)C2CCS(=O)(=O)CC2)[n-]1	ZINC001363106815	918696843	/nfs/dbraw/zinc/69/68/43/918696843.db2.gz	GBKKDBBZGBEDJR-UHFFFAOYSA-N	-1	1	322.368	-1.029	20	0		DAADMM
CNS(=O)(=O)CC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1	ZINC001363168041	918712254	/nfs/dbraw/zinc/71/22/54/918712254.db2.gz	XMTJBAYNDRWTNE-SNVBAGLBSA-N	-1	1	310.339	-1.046	20	0		DAADMM
CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@@H](c2nn[n-]n2)C1	ZINC001363220064	918727609	/nfs/dbraw/zinc/72/76/09/918727609.db2.gz	SFLCSLVYOPAKOB-MRVPVSSYSA-N	-1	1	317.375	-1.746	20	0		DAADMM
COC(=O)[C@@](C)(CO)NC(=O)CNC(=O)c1ncccc1[O-]	ZINC001363257509	918738420	/nfs/dbraw/zinc/73/84/20/918738420.db2.gz	WNFYGMPUOCGLPH-CYBMUJFWSA-N	-1	1	311.294	-1.443	20	0		DAADMM
COCCN1C[C@@H](C(=O)NCc2nc([O-])cc(=O)[nH]2)CC1=O	ZINC001363324002	918760094	/nfs/dbraw/zinc/76/00/94/918760094.db2.gz	MQGCCANPOCYNQZ-QMMMGPOBSA-N	-1	1	310.310	-1.001	20	0		DAADMM
O=C(CN1CCS(=O)(=O)CC1)NC1(c2nn[n-]n2)CCC1	ZINC001363363169	918767892	/nfs/dbraw/zinc/76/78/92/918767892.db2.gz	PFWMQMUMGWBFIU-UHFFFAOYSA-N	-1	1	314.371	-1.575	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CC(CO)(CO)C2)co1	ZINC001363389814	918772879	/nfs/dbraw/zinc/77/28/79/918772879.db2.gz	ZJTQWPOKEQMJSJ-UHFFFAOYSA-N	-1	1	304.324	-1.386	20	0		DAADMM
C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1[nH]c(=O)[nH]c(=O)c1N	ZINC001363448843	918791531	/nfs/dbraw/zinc/79/15/31/918791531.db2.gz	IDPNXGVOFNSOKO-YUMQZZPRSA-N	-1	1	311.342	-1.003	20	0		DAADMM
CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CCc3nn[n-]n3)C[C@H]21	ZINC001363480315	918796510	/nfs/dbraw/zinc/79/65/10/918796510.db2.gz	OVNBRDREVJUHGC-YIZRAAEISA-N	-1	1	315.355	-1.597	20	0		DAADMM
O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1cnc(C2CC2)[n-]c1=O	ZINC001363496873	918804915	/nfs/dbraw/zinc/80/49/15/918804915.db2.gz	GQXBXOGUTNFTSM-RKDXNWHRSA-N	-1	1	313.335	-1.053	20	0		DAADMM
COC(=O)[C@@]1(NC(=O)CNC(=O)c2ncccc2[O-])C[C@H](O)C1	ZINC001363522380	918811968	/nfs/dbraw/zinc/81/19/68/918811968.db2.gz	BHEKVGLDXVNEBT-XZWHAEGMSA-N	-1	1	323.305	-1.300	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC(O)(c2nccn2C)C1	ZINC001363542013	918825466	/nfs/dbraw/zinc/82/54/66/918825466.db2.gz	BHWRYQSAVXDRBU-UHFFFAOYSA-N	-1	1	321.293	-1.027	20	0		DAADMM
CN1CCN(C(=O)CNC(=O)c2ncccc2[O-])C[C@H]1CO	ZINC001363555638	918827528	/nfs/dbraw/zinc/82/75/28/918827528.db2.gz	FNVQFOCZCADHNX-JTQLQIEISA-N	-1	1	308.338	-1.348	20	0		DAADMM
CNC(=O)CN(CC(=O)NC)C(=O)c1cnc(C2CC2)[n-]c1=O	ZINC001363553804	918827824	/nfs/dbraw/zinc/82/78/24/918827824.db2.gz	CBUCKHKXKBGDAF-UHFFFAOYSA-N	-1	1	321.337	-1.006	20	0		DAADMM
CS(=O)(=O)NC[C@@H]1COCCN1C(=O)CCc1nn[n-]n1	ZINC001363571710	918833438	/nfs/dbraw/zinc/83/34/38/918833438.db2.gz	CGVGJFXMCOJOHE-MRVPVSSYSA-N	-1	1	318.359	-2.091	20	0		DAADMM
CNS(=O)(=O)CC(=O)N1CCC[C@H](Cc2nn[n-]n2)C1	ZINC001363582743	918835977	/nfs/dbraw/zinc/83/59/77/918835977.db2.gz	KMMINHHSXISNIM-MRVPVSSYSA-N	-1	1	302.360	-1.470	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](O)[C@@H](O)C2)o1	ZINC001363614116	918843545	/nfs/dbraw/zinc/84/35/45/918843545.db2.gz	VYWIFWOTYHJUAG-WHUPJOBBSA-N	-1	1	304.324	-1.198	20	0		DAADMM
CC(C)CN(Cc1nn[n-]n1)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	ZINC001363798793	918881397	/nfs/dbraw/zinc/88/13/97/918881397.db2.gz	FNAORSAKIKJWQD-CKYFFXLPSA-N	-1	1	311.342	-1.403	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C)C(=O)NCCF	ZINC001363867343	918896662	/nfs/dbraw/zinc/89/66/62/918896662.db2.gz	WYYPKOHFGRTBRY-LURJTMIESA-N	-1	1	322.318	-1.051	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)C(=O)NCCF	ZINC001363867352	918896798	/nfs/dbraw/zinc/89/67/98/918896798.db2.gz	WYYPKOHFGRTBRY-ZCFIWIBFSA-N	-1	1	322.318	-1.051	20	0		DAADMM
CS(=O)(=O)NC[C@H]1CCN(C(=O)CCCc2nn[n-]n2)C1	ZINC001363901135	918903232	/nfs/dbraw/zinc/90/32/32/918903232.db2.gz	ODHCBQRNYOHIDJ-SECBINFHSA-N	-1	1	316.387	-1.080	20	0		DAADMM
CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC001363917303	918905966	/nfs/dbraw/zinc/90/59/66/918905966.db2.gz	GSRKBYSWRQLLFW-SSDOTTSWSA-N	-1	1	318.355	-2.113	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2CCS(=O)(=O)C2)c(=O)[nH]c1=O	ZINC001363924205	918906756	/nfs/dbraw/zinc/90/67/56/918906756.db2.gz	BGVDGWCJYNQZPU-ZCFIWIBFSA-N	-1	1	323.352	-2.049	20	0		DAADMM
COC(=O)[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C1CC1	ZINC001363947766	918908389	/nfs/dbraw/zinc/90/83/89/918908389.db2.gz	OVPPGESEVGTPJX-MRVPVSSYSA-N	-1	1	317.323	-1.284	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@H](O)C2CCC2)c(=O)[nH]c1=O	ZINC001363946011	918908726	/nfs/dbraw/zinc/90/87/26/918908726.db2.gz	SVWBPARFBMNHHV-QMMMGPOBSA-N	-1	1	303.340	-1.075	20	0		DAADMM
COC[C@H](C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)OC	ZINC001363961682	918913713	/nfs/dbraw/zinc/91/37/13/918913713.db2.gz	GSJVONOIMFZLGF-ZETCQYMHSA-N	-1	1	307.328	-1.574	20	0		DAADMM
CNC(=O)[C@H](CO)[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F	ZINC001363968057	918916014	/nfs/dbraw/zinc/91/60/14/918916014.db2.gz	PYJJYZIXYKMEED-BYPYZUCNSA-N	-1	1	316.261	-1.186	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@@H](O)[C@H](OC)C2)[n-]n1	ZINC001363967166	918916626	/nfs/dbraw/zinc/91/66/26/918916626.db2.gz	KGZXUTVBSIRNQW-HTQZYQBOSA-N	-1	1	305.312	-1.424	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@@H](O)[C@H](OC)C2)n[n-]1	ZINC001363967166	918916636	/nfs/dbraw/zinc/91/66/36/918916636.db2.gz	KGZXUTVBSIRNQW-HTQZYQBOSA-N	-1	1	305.312	-1.424	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H]2CCCNC2=O)[n-]n1	ZINC001363985594	918918173	/nfs/dbraw/zinc/91/81/73/918918173.db2.gz	ZJMNVWROBJPHAG-LURJTMIESA-N	-1	1	302.312	-1.247	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H]2CCCNC2=O)n[n-]1	ZINC001363985594	918918195	/nfs/dbraw/zinc/91/81/95/918918195.db2.gz	ZJMNVWROBJPHAG-LURJTMIESA-N	-1	1	302.312	-1.247	20	0		DAADMM
CNC(=O)[C@@H](O)C[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C	ZINC001363977443	918919171	/nfs/dbraw/zinc/91/91/71/918919171.db2.gz	XRZSOEKJGHMRAG-QVHKOIDPSA-N	-1	1	302.378	-2.498	20	0		DAADMM
CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CC(=O)NCC1CC1	ZINC001363978230	918920997	/nfs/dbraw/zinc/92/09/97/918920997.db2.gz	YNGRUFRVEMSPRE-SFHVURJKSA-N	-1	1	312.417	-1.079	20	0		DAADMM
COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)CCCN1CCOCC1	ZINC001364001876	918925890	/nfs/dbraw/zinc/92/58/90/918925890.db2.gz	LRNWDSANMWUTNS-GFCCVEGCSA-N	-1	1	324.399	-1.448	20	0		DAADMM
CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)CCS(=O)(=O)N(C)C	ZINC001364014329	918928443	/nfs/dbraw/zinc/92/84/43/918928443.db2.gz	XAGFAOPHPPPDTC-RKDXNWHRSA-N	-1	1	316.401	-1.789	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](O)[C@@H](O)C2)[n-]n1	ZINC001364035954	918934213	/nfs/dbraw/zinc/93/42/13/918934213.db2.gz	SZLVUEBWBUEJPM-SFYZADRCSA-N	-1	1	305.312	-1.688	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](O)[C@@H](O)C2)n[n-]1	ZINC001364035954	918934221	/nfs/dbraw/zinc/93/42/21/918934221.db2.gz	SZLVUEBWBUEJPM-SFYZADRCSA-N	-1	1	305.312	-1.688	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@H](O)C[C@@]2(C)CO)[n-]n1	ZINC001364037733	918934800	/nfs/dbraw/zinc/93/48/00/918934800.db2.gz	JJWLUMWUEGHHIJ-HQJQHLMTSA-N	-1	1	319.339	-1.297	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@H](O)C[C@@]2(C)CO)n[n-]1	ZINC001364037733	918934813	/nfs/dbraw/zinc/93/48/13/918934813.db2.gz	JJWLUMWUEGHHIJ-HQJQHLMTSA-N	-1	1	319.339	-1.297	20	0		DAADMM
Cc1cc(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@H]2O)sn1	ZINC001364038442	918935578	/nfs/dbraw/zinc/93/55/78/918935578.db2.gz	YZDQSSWYNYRDII-RNFRBKRXSA-N	-1	1	312.394	-1.112	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2CCN(C)C(=O)C2)c(=O)[nH]c1=O	ZINC001364056244	918941196	/nfs/dbraw/zinc/94/11/96/918941196.db2.gz	NKFQDNKSGYYMAJ-SSDOTTSWSA-N	-1	1	316.339	-1.615	20	0		DAADMM
C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)c1nnnn1C	ZINC001364154435	918956588	/nfs/dbraw/zinc/95/65/88/918956588.db2.gz	OBUCXBZDELHQDM-QQOXFEPMSA-N	-1	1	311.393	-1.320	20	0		DAADMM
O=C(CCCc1nn[n-]n1)N1CCS(=O)(=O)C[C@H]1CCO	ZINC001364184779	918958229	/nfs/dbraw/zinc/95/82/29/918958229.db2.gz	WNXHBHFVCOKZGR-SECBINFHSA-N	-1	1	317.371	-1.470	20	0		DAADMM
CN(C(=O)CNS(=O)(=O)c1cn(C)cn1)c1nn[n-]n1	ZINC001364193125	918963649	/nfs/dbraw/zinc/96/36/49/918963649.db2.gz	JXEAJGSEDFZQJF-UHFFFAOYSA-N	-1	1	300.304	-2.126	20	0		DAADMM
CS(=O)(=O)C[C@@H]1CN(C(=O)CCc2nn[n-]n2)CCO1	ZINC001364367907	918999782	/nfs/dbraw/zinc/99/97/82/918999782.db2.gz	QUEWEVILCDLQCH-QMMMGPOBSA-N	-1	1	303.344	-1.596	20	0		DAADMM
O=C(CNC(=O)N1CCCC1)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001364382773	919002991	/nfs/dbraw/zinc/00/29/91/919002991.db2.gz	KFNGDJOMQARYQB-SECBINFHSA-N	-1	1	309.330	-1.095	20	0		DAADMM
CCS(=O)(=O)NCC(=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001364384360	919006345	/nfs/dbraw/zinc/00/63/45/919006345.db2.gz	UJSIISLYVFANEV-ZETCQYMHSA-N	-1	1	304.332	-1.961	20	0		DAADMM
CC(C)CN(Cc1nn[n-]n1)C(=O)Cn1ccc(=O)n(C)c1=O	ZINC001364652999	919044904	/nfs/dbraw/zinc/04/49/04/919044904.db2.gz	YTGAZNMTIYKGRD-UHFFFAOYSA-N	-1	1	321.341	-1.255	20	0		DAADMM
CN(C)S(=O)(=O)CCC(=O)NC1(c2nn[n-]n2)CCC1	ZINC001364663936	919046874	/nfs/dbraw/zinc/04/68/74/919046874.db2.gz	QLOAUZJMSSFHLG-UHFFFAOYSA-N	-1	1	302.360	-1.023	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@H]2COCCO2)c(=O)[nH]c1=O	ZINC001364783983	919065898	/nfs/dbraw/zinc/06/58/98/919065898.db2.gz	LTKLCTDATSNUDH-SSDOTTSWSA-N	-1	1	305.312	-1.820	20	0		DAADMM
C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)N(C)C	ZINC001364792074	919068354	/nfs/dbraw/zinc/06/83/54/919068354.db2.gz	KAJDNWQFNZMTCF-ZCFIWIBFSA-N	-1	1	304.328	-1.759	20	0		DAADMM
O=C([C@H]1CCS(=O)(=O)N1)N1CCC[C@@H](Cc2nn[n-]n2)C1	ZINC001364818099	919073108	/nfs/dbraw/zinc/07/31/08/919073108.db2.gz	HVHIMUQILYMHIA-DTWKUNHWSA-N	-1	1	314.371	-1.328	20	0		DAADMM
COC[C@@H](NC(=O)CCS(=O)(=O)N(C)C)c1nn[n-]n1	ZINC001364816951	919074614	/nfs/dbraw/zinc/07/46/14/919074614.db2.gz	YBRMGFMALYLARB-SSDOTTSWSA-N	-1	1	306.348	-1.715	20	0		DAADMM
COCC[C@H](CO)[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC	ZINC001364827424	919076654	/nfs/dbraw/zinc/07/66/54/919076654.db2.gz	OHYCASGYWMQNRC-SSDOTTSWSA-N	-1	1	307.328	-1.128	20	0		DAADMM
O=C1CN(CC[N-]S(=O)(=O)N=S2(=O)CCCC2)CCN1	ZINC001364840410	919079131	/nfs/dbraw/zinc/07/91/31/919079131.db2.gz	ZDNDLBDKQKKIIC-UHFFFAOYSA-N	-1	1	324.428	-1.486	20	0		DAADMM
CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001364858486	919083852	/nfs/dbraw/zinc/08/38/52/919083852.db2.gz	QEQPBHCVLSGKSU-NKWVEPMBSA-N	-1	1	305.312	-1.822	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CC(=O)N[C@H](C)C2)[n-]n1	ZINC001364864916	919086021	/nfs/dbraw/zinc/08/60/21/919086021.db2.gz	KYLMRBJILROFCU-ZCFIWIBFSA-N	-1	1	302.312	-1.295	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CC(=O)N[C@H](C)C2)n[n-]1	ZINC001364864916	919086032	/nfs/dbraw/zinc/08/60/32/919086032.db2.gz	KYLMRBJILROFCU-ZCFIWIBFSA-N	-1	1	302.312	-1.295	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1CNC(=O)C1	ZINC001364873333	919088029	/nfs/dbraw/zinc/08/80/29/919088029.db2.gz	WEVCTSJLCKEPQR-ZCFIWIBFSA-N	-1	1	302.312	-1.389	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1CNC(=O)C1	ZINC001364873331	919089577	/nfs/dbraw/zinc/08/95/77/919089577.db2.gz	WEVCTSJLCKEPQR-LURJTMIESA-N	-1	1	302.312	-1.389	20	0		DAADMM
CC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)n[n-]1)C(=O)NC	ZINC001364882107	919090038	/nfs/dbraw/zinc/09/00/38/919090038.db2.gz	ULDNTJNXLNXTHI-ZCFIWIBFSA-N	-1	1	304.328	-1.001	20	0		DAADMM
CC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)[n-]n1)C(=O)NC	ZINC001364882107	919090048	/nfs/dbraw/zinc/09/00/48/919090048.db2.gz	ULDNTJNXLNXTHI-ZCFIWIBFSA-N	-1	1	304.328	-1.001	20	0		DAADMM
COC(=O)[C@](C)(CO)[N-]S(=O)(=O)N1CCOC(C)(C)C1	ZINC001364883794	919090290	/nfs/dbraw/zinc/09/02/90/919090290.db2.gz	KCRPPLLDYNMGEI-NSHDSACASA-N	-1	1	310.372	-1.144	20	0		DAADMM
CN1CCO[C@H](CS(=O)(=O)[N-][C@]2(C(N)=O)CCOC2)C1	ZINC001364892785	919091472	/nfs/dbraw/zinc/09/14/72/919091472.db2.gz	CNOUMNZVKCWHAB-GXSJLCMTSA-N	-1	1	307.372	-2.119	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@@H](O)[C@@H](O)C2)co1	ZINC001364891510	919092403	/nfs/dbraw/zinc/09/24/03/919092403.db2.gz	ITWFWKXWTAUVNA-AYMMMOKOSA-N	-1	1	304.324	-1.198	20	0		DAADMM
COC(=O)[C@](C)(CO)[N-]S(=O)(=O)CCN1CCOC1=O	ZINC001364885275	919092506	/nfs/dbraw/zinc/09/25/06/919092506.db2.gz	UPJHSYMDHNFVMH-JTQLQIEISA-N	-1	1	310.328	-1.718	20	0		DAADMM
CS(C)(=O)=NS(=O)(=O)[N-][C@@H]1CCN(S(C)(=O)=O)C1	ZINC001364900854	919094109	/nfs/dbraw/zinc/09/41/09/919094109.db2.gz	QTFDFDBWOHKRNQ-SSDOTTSWSA-N	-1	1	319.430	-1.418	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)nc1=O	ZINC001364948801	919101983	/nfs/dbraw/zinc/10/19/83/919101983.db2.gz	CJUKUCMXXOCDBT-SNVBAGLBSA-N	-1	1	322.369	-1.579	20	0		DAADMM
CCOC(=O)CC1([N-]S(=O)(=O)[C@@H]2COC[C@H]2O)COC1	ZINC001365006180	919113875	/nfs/dbraw/zinc/11/38/75/919113875.db2.gz	RSEGXJLUWUNZAI-RKDXNWHRSA-N	-1	1	309.340	-1.612	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC(=O)NC1CC1	ZINC001365016510	919115527	/nfs/dbraw/zinc/11/55/27/919115527.db2.gz	OYMRDHDOPYCNJE-UHFFFAOYSA-N	-1	1	302.312	-1.247	20	0		DAADMM
COC(=O)[C@H](C)C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001365133952	919128882	/nfs/dbraw/zinc/12/88/82/919128882.db2.gz	LAUGBMGSPMUPHV-ZCFIWIBFSA-N	-1	1	305.312	-1.427	20	0		DAADMM
COC[C@H]([N-]S(=O)(=O)CCS(=O)(=O)N(C)C)C(N)=O	ZINC001365371197	919167701	/nfs/dbraw/zinc/16/77/01/919167701.db2.gz	AMXJAVXSZNKZRC-ZETCQYMHSA-N	-1	1	317.389	-2.703	20	0		DAADMM
CNC(=O)[C@H](CO)[N-]S(=O)(=O)CC1(OC)CCOCC1	ZINC001365381052	919171413	/nfs/dbraw/zinc/17/14/13/919171413.db2.gz	QWVRBFGLPIUFOH-VIFPVBQESA-N	-1	1	310.372	-1.792	20	0		DAADMM
Cn1ncc(S(=O)(=O)[N-][C@@H](CO)C(N)=O)c1C(F)(F)F	ZINC001365396954	919176060	/nfs/dbraw/zinc/17/60/60/919176060.db2.gz	DMXJNNDQNWKWPV-BYPYZUCNSA-N	-1	1	316.261	-1.437	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)[n-]n1	ZINC001365416743	919178803	/nfs/dbraw/zinc/17/88/03/919178803.db2.gz	IMBDRNNMDMXQJO-POYBYMJQSA-N	-1	1	305.312	-1.830	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)n[n-]1	ZINC001365416743	919178818	/nfs/dbraw/zinc/17/88/18/919178818.db2.gz	IMBDRNNMDMXQJO-POYBYMJQSA-N	-1	1	305.312	-1.830	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@H](CO)[C@H](O)C2)[n-]n1	ZINC001365416738	919179473	/nfs/dbraw/zinc/17/94/73/919179473.db2.gz	IMBDRNNMDMXQJO-HTRCEHHLSA-N	-1	1	305.312	-1.830	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@H](CO)[C@H](O)C2)n[n-]1	ZINC001365416738	919179480	/nfs/dbraw/zinc/17/94/80/919179480.db2.gz	IMBDRNNMDMXQJO-HTRCEHHLSA-N	-1	1	305.312	-1.830	20	0		DAADMM
CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001365425400	919181498	/nfs/dbraw/zinc/18/14/98/919181498.db2.gz	QEQPBHCVLSGKSU-RNFRBKRXSA-N	-1	1	305.312	-1.822	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCN(C)[C@H](CO)C2)[n-]n1	ZINC001365464791	919193183	/nfs/dbraw/zinc/19/31/83/919193183.db2.gz	XQAVQNOPFXKRGV-QMMMGPOBSA-N	-1	1	318.355	-1.507	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCN(C)[C@H](CO)C2)n[n-]1	ZINC001365464791	919193190	/nfs/dbraw/zinc/19/31/90/919193190.db2.gz	XQAVQNOPFXKRGV-QMMMGPOBSA-N	-1	1	318.355	-1.507	20	0		DAADMM
COC(=O)C(C)(C)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001365633851	919207945	/nfs/dbraw/zinc/20/79/45/919207945.db2.gz	LZRYONPGXNFTQQ-UHFFFAOYSA-N	-1	1	305.312	-1.284	20	0		DAADMM
O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H]1COC[C@H]1O	ZINC001365664824	919212733	/nfs/dbraw/zinc/21/27/33/919212733.db2.gz	UELPECRLJNXVOD-NXEZZACHSA-N	-1	1	310.310	-1.186	20	0		DAADMM
O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCNC(=O)C1	ZINC001365664722	919213366	/nfs/dbraw/zinc/21/33/66/919213366.db2.gz	QIZVQJAZIDMQGO-UHFFFAOYSA-N	-1	1	307.310	-1.104	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)c3cncnc3)CC2)nc1=O	ZINC001365695755	919217011	/nfs/dbraw/zinc/21/70/11/919217011.db2.gz	FPPJWQDIHCMYGT-UHFFFAOYSA-N	-1	1	303.326	-1.144	20	0		DAADMM
COC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)n[n-]1)C(=O)OC	ZINC001365684484	919218592	/nfs/dbraw/zinc/21/85/92/919218592.db2.gz	XOCBXTCSDJMCIZ-SSDOTTSWSA-N	-1	1	321.311	-1.337	20	0		DAADMM
COC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)[n-]n1)C(=O)OC	ZINC001365684484	919218607	/nfs/dbraw/zinc/21/86/07/919218607.db2.gz	XOCBXTCSDJMCIZ-SSDOTTSWSA-N	-1	1	321.311	-1.337	20	0		DAADMM
CNC(=O)[C@H](CO)[N-]S(=O)(=O)Cc1noc(C2CC2)n1	ZINC001365698671	919221626	/nfs/dbraw/zinc/22/16/26/919221626.db2.gz	JOLZWGJLBYKGHK-ZETCQYMHSA-N	-1	1	304.328	-1.527	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(C[C@@H](O)CO)C(C)C)[n-]n1	ZINC001365715854	919223990	/nfs/dbraw/zinc/22/39/90/919223990.db2.gz	IKNXBZLYOLFQNV-MRVPVSSYSA-N	-1	1	321.355	-1.051	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(C[C@@H](O)CO)C(C)C)n[n-]1	ZINC001365715854	919224001	/nfs/dbraw/zinc/22/40/01/919224001.db2.gz	IKNXBZLYOLFQNV-MRVPVSSYSA-N	-1	1	321.355	-1.051	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(C[C@H](O)CO)C(C)C)[n-]n1	ZINC001365715855	919224509	/nfs/dbraw/zinc/22/45/09/919224509.db2.gz	IKNXBZLYOLFQNV-QMMMGPOBSA-N	-1	1	321.355	-1.051	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(C[C@H](O)CO)C(C)C)n[n-]1	ZINC001365715855	919224531	/nfs/dbraw/zinc/22/45/31/919224531.db2.gz	IKNXBZLYOLFQNV-QMMMGPOBSA-N	-1	1	321.355	-1.051	20	0		DAADMM
COCC(COC)S(=O)(=O)[N-][C@@H](CO)c1nncn1C	ZINC001365734885	919230608	/nfs/dbraw/zinc/23/06/08/919230608.db2.gz	SXDVDFSFFDPNSI-VIFPVBQESA-N	-1	1	308.360	-1.571	20	0		DAADMM
COC(=O)[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)[C@@H]1COC[C@H]1O	ZINC001365735277	919231644	/nfs/dbraw/zinc/23/16/44/919231644.db2.gz	NQRVQUPUTOMDQF-UKKRHICBSA-N	-1	1	323.367	-1.224	20	0		DAADMM
CC(C)[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)C(N)=O	ZINC001365746623	919233986	/nfs/dbraw/zinc/23/39/86/919233986.db2.gz	KGHFJBVTEVQPIR-BWKAKNAASA-N	-1	1	300.406	-1.095	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC[C@H](O)C2CC2)c(=O)n(C)c1=O	ZINC001365747381	919234027	/nfs/dbraw/zinc/23/40/27/919234027.db2.gz	QIACDOJNHVZKMQ-VIFPVBQESA-N	-1	1	317.367	-1.477	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001365938666	919252395	/nfs/dbraw/zinc/25/23/95/919252395.db2.gz	OKMHVNHMEVITTI-GXSJLCMTSA-N	-1	1	324.385	-1.286	20	0		DAADMM
C[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001366301147	919304860	/nfs/dbraw/zinc/30/48/60/919304860.db2.gz	NTJPSYTXSXBCEE-RNFRBKRXSA-N	-1	1	305.360	-1.462	20	0		DAADMM
C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1ccn(C)n1	ZINC001366359457	919317564	/nfs/dbraw/zinc/31/75/64/919317564.db2.gz	KOWNTBXGXVTFHO-MRVPVSSYSA-N	-1	1	309.330	-1.283	20	0		DAADMM
CN(CCNC(=O)[C@]1(C)CCNC(=O)C1)Cc1nc(=O)n(C)[n-]1	ZINC001366537925	919344215	/nfs/dbraw/zinc/34/42/15/919344215.db2.gz	DKWRIWKJEDHTOK-CQSZACIVSA-N	-1	1	324.385	-1.427	20	0		DAADMM
CCN(CCNC(=O)CNC(=O)C1CC1)Cc1nc(=O)n(C)[n-]1	ZINC001366606903	919356676	/nfs/dbraw/zinc/35/66/76/919356676.db2.gz	MPHIQMYENRDMKO-UHFFFAOYSA-N	-1	1	324.385	-1.427	20	0		DAADMM
CCN(CCNC(=O)CCn1ccnn1)Cc1nc(=O)n(C)[n-]1	ZINC001366605929	919358543	/nfs/dbraw/zinc/35/85/43/919358543.db2.gz	RERAFIBPMNILCY-UHFFFAOYSA-N	-1	1	322.373	-1.272	20	0		DAADMM
CC(=O)NCC(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1	ZINC001366645034	919360653	/nfs/dbraw/zinc/36/06/53/919360653.db2.gz	JJWCXJCELJWWIA-SNVBAGLBSA-N	-1	1	310.358	-1.675	20	0		DAADMM
Cn1[n-]c(CN(CCNC(=O)Cn2cnnn2)C2CC2)nc1=O	ZINC001366731741	919374935	/nfs/dbraw/zinc/37/49/35/919374935.db2.gz	HXZWXPJMRIOFBD-UHFFFAOYSA-N	-1	1	321.345	-2.124	20	0		DAADMM
Cn1ccc(CCC(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001366919211	919397673	/nfs/dbraw/zinc/39/76/73/919397673.db2.gz	LGKCDBNHJRXCIT-UHFFFAOYSA-N	-1	1	319.369	-1.225	20	0		DAADMM
Cc1nnc(CC(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)[nH]1	ZINC001366965844	919409224	/nfs/dbraw/zinc/40/92/24/919409224.db2.gz	YJBRWFSDUQQNQJ-UHFFFAOYSA-N	-1	1	320.357	-1.674	20	0		DAADMM
Cn1cncc1CC(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001366983814	919413354	/nfs/dbraw/zinc/41/33/54/919413354.db2.gz	YJPBJABXIDBFKO-UHFFFAOYSA-N	-1	1	319.369	-1.367	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001367037069	919431307	/nfs/dbraw/zinc/43/13/07/919431307.db2.gz	VXIAAALRGDJNSO-RKDXNWHRSA-N	-1	1	310.358	-1.690	20	0		DAADMM
C[C@H](NC[C@@H](O)CNC(=O)c1ncccc1[O-])c1nnnn1C	ZINC001367575022	919483386	/nfs/dbraw/zinc/48/33/86/919483386.db2.gz	NLHIEGYVWOHDRE-DTWKUNHWSA-N	-1	1	321.341	-1.248	20	0		DAADMM
O=C(Cc1cncs1)NC[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001367588951	919500607	/nfs/dbraw/zinc/50/06/07/919500607.db2.gz	MKHXFSDMDMKELW-SSDOTTSWSA-N	-1	1	312.355	-1.224	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001367779761	919568946	/nfs/dbraw/zinc/56/89/46/919568946.db2.gz	FQQDUKSRYZBZRA-IUCAKERBSA-N	-1	1	312.374	-1.431	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)N[C@@H](C)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001367779758	919569125	/nfs/dbraw/zinc/56/91/25/919569125.db2.gz	FQQDUKSRYZBZRA-DTWKUNHWSA-N	-1	1	312.374	-1.431	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1CCC(=O)N1C	ZINC001367841482	919577962	/nfs/dbraw/zinc/57/79/62/919577962.db2.gz	RNMXKTAHULBZFH-ZJUUUORDSA-N	-1	1	324.385	-1.334	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001367929722	919590931	/nfs/dbraw/zinc/59/09/31/919590931.db2.gz	HEFDGJJRUOZXSA-PSASIEDQSA-N	-1	1	310.358	-1.677	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)Cc2nc[nH]n2)nc1=O	ZINC001367970074	919597691	/nfs/dbraw/zinc/59/76/91/919597691.db2.gz	RBFGKMKDQZMPAZ-MRVPVSSYSA-N	-1	1	306.330	-1.840	20	0		DAADMM
O=C(NC1(CCO)CN([C@H]2CCNC2=O)C1)c1ncccc1[O-]	ZINC001369018670	919799376	/nfs/dbraw/zinc/79/93/76/919799376.db2.gz	SWAMEJZWDWIHBF-JTQLQIEISA-N	-1	1	320.349	-1.158	20	0		DAADMM
C[C@H](NC(=O)Cn1cccn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001369076224	919812438	/nfs/dbraw/zinc/81/24/38/919812438.db2.gz	WXLFCGGJFFWRSC-JTQLQIEISA-N	-1	1	319.369	-1.058	20	0		DAADMM
CN(C(=O)Cn1cnnn1)[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001369209280	919830025	/nfs/dbraw/zinc/83/00/25/919830025.db2.gz	XIURZMXIRZNKCN-SECBINFHSA-N	-1	1	321.345	-1.476	20	0		DAADMM
C[C@H](CN(C)C(=O)[C@H]1CN(C)CCO1)NCc1n[nH]c(=O)[n-]1	ZINC001369228326	919831911	/nfs/dbraw/zinc/83/19/11/919831911.db2.gz	GGNQCTOAWBEZTM-NXEZZACHSA-N	-1	1	312.374	-1.223	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)C2CCOCC2)nc1=O	ZINC001369314310	919850559	/nfs/dbraw/zinc/85/05/59/919850559.db2.gz	WGGDTOHJYFDROG-JTQLQIEISA-N	-1	1	313.358	-1.898	20	0		DAADMM
CCn1nccc1C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001369323506	919858721	/nfs/dbraw/zinc/85/87/21/919858721.db2.gz	KPHBWZYHGZPERA-SECBINFHSA-N	-1	1	323.357	-1.795	20	0		DAADMM
Cc1c(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)ccn1C	ZINC001369348889	919888744	/nfs/dbraw/zinc/88/87/44/919888744.db2.gz	JYNXCCBQFMTUPF-SNVBAGLBSA-N	-1	1	322.369	-1.364	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)CC(C)(F)F)nc1=O	ZINC001369352084	919892098	/nfs/dbraw/zinc/89/20/98/919892098.db2.gz	XEVMDHXNZZLLRC-SSDOTTSWSA-N	-1	1	307.301	-1.280	20	0		DAADMM
CCn1ccc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)n1	ZINC001369361268	919899001	/nfs/dbraw/zinc/89/90/01/919899001.db2.gz	IIYASBIBXUASHQ-VIFPVBQESA-N	-1	1	323.357	-1.795	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1COCCO1	ZINC001369455054	919933385	/nfs/dbraw/zinc/93/33/85/919933385.db2.gz	ZIXMHZJHYJVHEB-IUCAKERBSA-N	-1	1	315.330	-2.165	20	0		DAADMM
CO[C@H](C)CC(=O)N(C)C[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001369452701	919933564	/nfs/dbraw/zinc/93/35/64/919933564.db2.gz	GPPSQGBLIWZMGD-RKDXNWHRSA-N	-1	1	301.347	-1.156	20	0		DAADMM
CO[C@@H](C)CC(=O)N(C)C[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001369452698	919933800	/nfs/dbraw/zinc/93/38/00/919933800.db2.gz	GPPSQGBLIWZMGD-DTWKUNHWSA-N	-1	1	301.347	-1.156	20	0		DAADMM
Cc1noc(CCC(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)n1	ZINC001372057164	920332087	/nfs/dbraw/zinc/33/20/87/920332087.db2.gz	CSWINEDXVBFLMI-UHFFFAOYSA-N	-1	1	323.357	-1.019	20	0		DAADMM
CN(CCNC(=O)[C@H]1CC[C@H]1C(N)=O)Cc1nc(=O)n(C)[n-]1	ZINC001372061113	920333655	/nfs/dbraw/zinc/33/36/55/920333655.db2.gz	WGMGBBWDIFKOKF-BDAKNGLRSA-N	-1	1	310.358	-1.832	20	0		DAADMM
CCN(CCNC(=O)c1cn(C)c(=O)[nH]1)Cc1nc(=O)n(C)[n-]1	ZINC001372407926	920370829	/nfs/dbraw/zinc/37/08/29/920370829.db2.gz	SWAYAZYECQLINU-UHFFFAOYSA-N	-1	1	323.357	-1.201	20	0		DAADMM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@@H]1CCCN1CCO	ZINC001372543922	920384415	/nfs/dbraw/zinc/38/44/15/920384415.db2.gz	HHDNHXMOMJWYJU-JTQLQIEISA-N	-1	1	320.353	-1.356	20	0		DAADMM
CO[C@H](C)C(=O)NC[C@@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001372801816	920412942	/nfs/dbraw/zinc/41/29/42/920412942.db2.gz	QFMYMSAILORUMO-HTQZYQBOSA-N	-1	1	322.325	-1.313	20	0		DAADMM
C[C@@H](CNC(=O)Cn1ncnn1)NC(=O)c1ncccc1[O-]	ZINC001372885480	920431224	/nfs/dbraw/zinc/43/12/24/920431224.db2.gz	XOBRIUDHYIZXFU-QMMMGPOBSA-N	-1	1	305.298	-1.292	20	0		DAADMM
COCC(=O)N(C)CCNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC	ZINC001373572796	920527671	/nfs/dbraw/zinc/52/76/71/920527671.db2.gz	IZAGFAMPIPFSMA-UHFFFAOYSA-N	-1	1	314.298	-1.269	20	0		DAADMM
CNC(=O)NCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001373630546	920539948	/nfs/dbraw/zinc/53/99/48/920539948.db2.gz	MQJGAAZAMUCRKI-MRVPVSSYSA-N	-1	1	311.346	-2.272	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)c3cnc[nH]c3=O)CC2)nc1=O	ZINC001374093108	920583091	/nfs/dbraw/zinc/58/30/91/920583091.db2.gz	LAQGFTJPDIMFSR-UHFFFAOYSA-N	-1	1	319.325	-1.438	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)nc1=O	ZINC001374279396	920599682	/nfs/dbraw/zinc/59/96/82/920599682.db2.gz	HHGLGDRGACZHCP-JTQLQIEISA-N	-1	1	323.353	-1.294	20	0		DAADMM
C[C@H](C(=O)N(C)CCN(C)Cc1nc(=O)n(C)[n-]1)n1cncn1	ZINC001374485577	920609246	/nfs/dbraw/zinc/60/92/46/920609246.db2.gz	LLKPFBKEGFXDDY-SNVBAGLBSA-N	-1	1	322.373	-1.149	20	0		DAADMM
O=C(N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1)[C@@H]1CCC(=O)N1	ZINC001375272963	920759633	/nfs/dbraw/zinc/75/96/33/920759633.db2.gz	QEGMDSUMAIPVJG-DTWKUNHWSA-N	-1	1	308.342	-1.227	20	0		DAADMM
CNC(=O)NCC(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001375314685	920767454	/nfs/dbraw/zinc/76/74/54/920767454.db2.gz	NRDCXTRWTYPZIU-MRVPVSSYSA-N	-1	1	311.346	-2.272	20	0		DAADMM
CCNC(=O)CCC(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001375663733	920793408	/nfs/dbraw/zinc/79/34/08/920793408.db2.gz	ZAZVRZUYKKRFSJ-UHFFFAOYSA-N	-1	1	324.385	-1.333	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](O)(CNC(=O)C(C)(C)F)C2)nc1=O	ZINC001375994002	920815864	/nfs/dbraw/zinc/81/58/64/920815864.db2.gz	ASVIKCMLJKTTHS-ZDUSSCGKSA-N	-1	1	315.349	-1.091	20	0		DAADMM
CCC(=O)NCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001376110151	920861880	/nfs/dbraw/zinc/86/18/80/920861880.db2.gz	BGNNNZHHMZBJRG-VIFPVBQESA-N	-1	1	310.358	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)CNC(=O)C3CC3)C2)nc1=O	ZINC001376119208	920863108	/nfs/dbraw/zinc/86/31/08/920863108.db2.gz	MOHBYGUQEMNDAC-JTQLQIEISA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)c3ccncn3)C2)nc1=O	ZINC001376260661	920904213	/nfs/dbraw/zinc/90/42/13/920904213.db2.gz	VOMHBMJCSURFOK-UHFFFAOYSA-N	-1	1	319.325	-2.125	20	0		DAADMM
Cc1c[nH]cc1C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001376291320	920911654	/nfs/dbraw/zinc/91/16/54/920911654.db2.gz	TXQQOVQGIKCIKQ-UHFFFAOYSA-N	-1	1	320.353	-1.278	20	0		DAADMM
CCN1CCOC[C@@H]1C(=O)NC[C@@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001376763478	921027317	/nfs/dbraw/zinc/02/73/17/921027317.db2.gz	VDCOUESPVPANMN-NXEZZACHSA-N	-1	1	312.374	-1.175	20	0		DAADMM
CN1C[C@@H](C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CCC2)NC1=O	ZINC001376770427	921027566	/nfs/dbraw/zinc/02/75/66/921027566.db2.gz	OXTNGZGKULDXOO-QMMMGPOBSA-N	-1	1	323.357	-1.338	20	0		DAADMM
CCC(=O)NCC(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1	ZINC001377389938	921813579	/nfs/dbraw/zinc/81/35/79/921813579.db2.gz	UZFSTMCWYDAIPD-SNVBAGLBSA-N	-1	1	324.385	-1.285	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](CNC(=O)Cn3cncn3)C2)nc1=O	ZINC001377471112	921824153	/nfs/dbraw/zinc/82/41/53/921824153.db2.gz	JXDWOZZIWDYDQY-SNVBAGLBSA-N	-1	1	320.357	-1.662	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CNC(=O)C(C)(C)C)C2)nc1=O	ZINC001377932992	921885214	/nfs/dbraw/zinc/88/52/14/921885214.db2.gz	QBJGQDLSOUQUQT-UHFFFAOYSA-N	-1	1	324.385	-1.429	20	0		DAADMM
C[C@H](CNC(=O)c1cnn(C)c1N)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001378019902	921900496	/nfs/dbraw/zinc/90/04/96/921900496.db2.gz	GPKZOVKKCJDGND-MRVPVSSYSA-N	-1	1	322.373	-1.326	20	0		DAADMM
C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001378129803	921919274	/nfs/dbraw/zinc/91/92/74/921919274.db2.gz	IRFQFVOECASQSI-XPTSAGLGSA-N	-1	1	324.385	-1.286	20	0		DAADMM
CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001378122932	921919490	/nfs/dbraw/zinc/91/94/90/921919490.db2.gz	SDTODQRAOWBRCP-GHMZBOCLSA-N	-1	1	324.385	-1.286	20	0		DAADMM
C[C@H](CNC(=O)c1cnn(C)n1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001378170294	921928443	/nfs/dbraw/zinc/92/84/43/921928443.db2.gz	RYCOZDNSAAHWSZ-MRVPVSSYSA-N	-1	1	308.346	-1.513	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)[C@H]1CN(C)C(=O)N1	ZINC001378801817	922009555	/nfs/dbraw/zinc/00/95/55/922009555.db2.gz	IKEWLDKAODIZRF-HTQZYQBOSA-N	-1	1	311.346	-1.530	20	0		DAADMM
CN(C(=O)c1ncccc1[O-])C1CN(C(=O)CNC(N)=O)C1	ZINC001379318802	922124321	/nfs/dbraw/zinc/12/43/21/922124321.db2.gz	ZGESDPOWBYBXTH-UHFFFAOYSA-N	-1	1	307.310	-1.262	20	0		DAADMM
CCO[C@H](C)C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001379355726	922130281	/nfs/dbraw/zinc/13/02/81/922130281.db2.gz	BQHHSAYMSDYOGC-RKDXNWHRSA-N	-1	1	301.347	-1.900	20	0		DAADMM
COC[C@H](C)C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001379361179	922133092	/nfs/dbraw/zinc/13/30/92/922133092.db2.gz	IQBIQOCVCDRQDE-DTWKUNHWSA-N	-1	1	301.347	-2.042	20	0		DAADMM
C[C@@H](N[C@H](CO)CNC(=O)c1ncccc1[O-])c1nnnn1C	ZINC001379400642	922153816	/nfs/dbraw/zinc/15/38/16/922153816.db2.gz	YQTSSIGGSDXVPW-BDAKNGLRSA-N	-1	1	321.341	-1.248	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CCCS1(=O)=O	ZINC001379466250	922187255	/nfs/dbraw/zinc/18/72/55/922187255.db2.gz	PBRYVGXSFPSVCG-SFYZADRCSA-N	-1	1	317.371	-1.318	20	0		DAADMM
Cc1cnn(C)c1C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001379472768	922193395	/nfs/dbraw/zinc/19/33/95/922193395.db2.gz	ODMAHJQZBOGHOH-VIFPVBQESA-N	-1	1	323.357	-1.969	20	0		DAADMM
COC(=O)NCC(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001379590294	922229634	/nfs/dbraw/zinc/22/96/34/922229634.db2.gz	YYQGSKRPUQNUEC-HTQZYQBOSA-N	-1	1	312.330	-1.055	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1cnc[nH]c1=O	ZINC001379681266	922241101	/nfs/dbraw/zinc/24/11/01/922241101.db2.gz	JITLXVCLRXPOSV-MRVPVSSYSA-N	-1	1	321.341	-1.146	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@H]1CNC(=O)N1	ZINC001379721892	922242505	/nfs/dbraw/zinc/24/25/05/922242505.db2.gz	HBDNASHJKFCZEV-HTQZYQBOSA-N	-1	1	311.346	-2.274	20	0		DAADMM
COC[C@@H](OC)C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001380017107	922316952	/nfs/dbraw/zinc/31/69/52/922316952.db2.gz	RICVCLRBXZDUPE-VHSXEESVSA-N	-1	1	313.358	-1.540	20	0		DAADMM
COC[C@H](OC)C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001380017112	922318972	/nfs/dbraw/zinc/31/89/72/922318972.db2.gz	RICVCLRBXZDUPE-ZJUUUORDSA-N	-1	1	313.358	-1.540	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](O)(CNC(=O)CC3CC3)C2)nc1=O	ZINC001380522255	922367145	/nfs/dbraw/zinc/36/71/45/922367145.db2.gz	RAALZLQTULXZNY-AWEZNQCLSA-N	-1	1	309.370	-1.039	20	0		DAADMM
Cn1cc(C(=O)NCC2(O)CN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC001380571866	922395407	/nfs/dbraw/zinc/39/54/07/922395407.db2.gz	QYEJQFSRJUDDPI-UHFFFAOYSA-N	-1	1	321.341	-2.181	20	0		DAADMM
C[C@H](C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1)C1CC1	ZINC001380575953	922400601	/nfs/dbraw/zinc/40/06/01/922400601.db2.gz	ATBIRGPOFSYIBL-VIFPVBQESA-N	-1	1	309.370	-1.183	20	0		DAADMM
O=C(NCC1(O)CN([C@H]2CCNC2=O)C1)c1ncccc1[O-]	ZINC001380590535	922408451	/nfs/dbraw/zinc/40/84/51/922408451.db2.gz	SWEKJLZDEPFUJB-VIFPVBQESA-N	-1	1	306.322	-1.548	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)Cc3cc[nH]n3)CC2)nc1=O	ZINC001381084254	922498141	/nfs/dbraw/zinc/49/81/41/922498141.db2.gz	SCYXBMLLJMLGFM-UHFFFAOYSA-N	-1	1	305.342	-1.282	20	0		DAADMM
COC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001381094922	922498571	/nfs/dbraw/zinc/49/85/71/922498571.db2.gz	CWEBDLLYWBKHLG-SFYZADRCSA-N	-1	1	312.330	-1.197	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)Cn3cccn3)CC2)nc1=O	ZINC001381069949	922498762	/nfs/dbraw/zinc/49/87/62/922498762.db2.gz	BKBLBZFGTSKNKY-UHFFFAOYSA-N	-1	1	305.342	-1.351	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)Cc3ccon3)CC2)nc1=O	ZINC001381077862	922499095	/nfs/dbraw/zinc/49/90/95/922499095.db2.gz	CPNGIIIOOUWSAR-UHFFFAOYSA-N	-1	1	306.326	-1.017	20	0		DAADMM
CNC(=O)C[NH+]1CCC(CO)(NC(=O)c2cnc[nH]c2=O)CC1	ZINC001381248850	922516695	/nfs/dbraw/zinc/51/66/95/922516695.db2.gz	JGDQWDQNBIODNJ-UHFFFAOYSA-N	-1	1	323.353	-1.515	20	0		DAADMM
C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001381542475	922533121	/nfs/dbraw/zinc/53/31/21/922533121.db2.gz	HZXFPXKMXBRRKR-QMMMGPOBSA-N	-1	1	321.341	-1.146	20	0		DAADMM
C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001381565327	922533420	/nfs/dbraw/zinc/53/34/20/922533420.db2.gz	AXXDQGOSRUPOBC-YUMQZZPRSA-N	-1	1	311.346	-2.274	20	0		DAADMM
C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001381584855	922538261	/nfs/dbraw/zinc/53/82/61/922538261.db2.gz	DHIJLORPYXAHJV-VHSXEESVSA-N	-1	1	324.385	-1.286	20	0		DAADMM
C[C@@H](CN(C)C(=O)C1CS(=O)(=O)C1)NCc1n[nH]c(=O)[n-]1	ZINC001382084021	922582279	/nfs/dbraw/zinc/58/22/79/922582279.db2.gz	ZNEGBOGXYVSFKC-ZETCQYMHSA-N	-1	1	317.371	-1.509	20	0		DAADMM
C[C@H](CN(C)C(=O)C1CS(=O)(=O)C1)NCc1n[nH]c(=O)[n-]1	ZINC001382084020	922582337	/nfs/dbraw/zinc/58/23/37/922582337.db2.gz	ZNEGBOGXYVSFKC-SSDOTTSWSA-N	-1	1	317.371	-1.509	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)c2cncc(F)c2)nc1=O	ZINC001382196675	922606780	/nfs/dbraw/zinc/60/67/80/922606780.db2.gz	GQVUIIIFJDUYHK-JTQLQIEISA-N	-1	1	324.316	-1.477	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)[C@H]2CCCCO2)nc1=O	ZINC001382194938	922606934	/nfs/dbraw/zinc/60/69/34/922606934.db2.gz	DDCCNBISLKFXAB-VHSXEESVSA-N	-1	1	313.358	-1.756	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)Cc2ccoc2)nc1=O	ZINC001382199598	922611851	/nfs/dbraw/zinc/61/18/51/922611851.db2.gz	MOQFQHQADYALDT-JTQLQIEISA-N	-1	1	309.326	-1.489	20	0		DAADMM
COCC1(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)CC1	ZINC001382219401	922625914	/nfs/dbraw/zinc/62/59/14/922625914.db2.gz	CGQRRZLTOQEPRI-VIFPVBQESA-N	-1	1	313.358	-1.898	20	0		DAADMM
Cc1nc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)c(C)o1	ZINC001382254847	922643459	/nfs/dbraw/zinc/64/34/59/922643459.db2.gz	OWXMINSRHXXDNG-VIFPVBQESA-N	-1	1	324.341	-1.406	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)[C@]2(C)CCOC2)nc1=O	ZINC001382258577	922649313	/nfs/dbraw/zinc/64/93/13/922649313.db2.gz	XUQKSTLZBAHCSE-NOZJJQNGSA-N	-1	1	313.358	-1.898	20	0		DAADMM
CCn1cc(C(=O)N(C)C[C@H](O)CNCc2n[nH]c(=O)[n-]2)cn1	ZINC001382380381	922708453	/nfs/dbraw/zinc/70/84/53/922708453.db2.gz	GYTKWBRZNDLMNU-SNVBAGLBSA-N	-1	1	323.357	-1.051	20	0		DAADMM
O=C(Cn1ccnc1)N[C@H](CO)CNC(=O)c1ncccc1[O-]	ZINC001382405760	922727238	/nfs/dbraw/zinc/72/72/38/922727238.db2.gz	SLDJNELXUJZSPF-JTQLQIEISA-N	-1	1	319.321	-1.109	20	0		DAADMM
CC(=O)NCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001384731428	923106022	/nfs/dbraw/zinc/10/60/22/923106022.db2.gz	VNYYIFOUXGESLD-MWLCHTKSSA-N	-1	1	322.321	-1.775	20	0		DAADMM
C[C@H](CNC(=O)C(F)F)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001386144670	923233542	/nfs/dbraw/zinc/23/35/42/923233542.db2.gz	QAAKWMTWNZNBDX-RXMQYKEDSA-N	-1	1	314.252	-1.083	20	0		DAADMM
COCC(=O)NCCN(C)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC	ZINC001387597538	923383864	/nfs/dbraw/zinc/38/38/64/923383864.db2.gz	PVQWEBFPAMTCGV-UHFFFAOYSA-N	-1	1	314.298	-1.269	20	0		DAADMM
CC(=O)N1CC(C(=O)NC[C@@H](NCc2n[nH]c(=O)[n-]2)C2CC2)C1	ZINC001389581708	923648493	/nfs/dbraw/zinc/64/84/93/923648493.db2.gz	DHVHCXGZRNVTDK-LLVKDONJSA-N	-1	1	322.369	-1.027	20	0		DAADMM
CC(=O)N1CC(C(=O)NC[C@H](NCc2n[nH]c(=O)[n-]2)C2CC2)C1	ZINC001389581715	923649234	/nfs/dbraw/zinc/64/92/34/923649234.db2.gz	DHVHCXGZRNVTDK-NSHDSACASA-N	-1	1	322.369	-1.027	20	0		DAADMM
COCC(=O)NC[C@H]1CCN1C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001389585262	923649487	/nfs/dbraw/zinc/64/94/87/923649487.db2.gz	ROLXFVIITGYFMR-MRVPVSSYSA-N	-1	1	320.309	-1.605	20	0		DAADMM
CN(CCNC(=O)[C@@H]1CN(C)C(=O)N1)Cc1nc(=O)n(C)[n-]1	ZINC001390798318	923781862	/nfs/dbraw/zinc/78/18/62/923781862.db2.gz	QYICFOABXDJLAO-QMMMGPOBSA-N	-1	1	311.346	-2.320	20	0		DAADMM
CCN(CCNC(=O)[C@@H]1COCCO1)Cc1nc(=O)n(C)[n-]1	ZINC001390880622	923793419	/nfs/dbraw/zinc/79/34/19/923793419.db2.gz	CXBLXRMBYOYEFG-JTQLQIEISA-N	-1	1	313.358	-1.538	20	0		DAADMM
CCN(CCNC(=O)[C@H]1COCCO1)Cc1nc(=O)n(C)[n-]1	ZINC001390880625	923793573	/nfs/dbraw/zinc/79/35/73/923793573.db2.gz	CXBLXRMBYOYEFG-SNVBAGLBSA-N	-1	1	313.358	-1.538	20	0		DAADMM
CCN(CCNC(=O)[C@H]1CNC(=O)N1)Cc1nc(=O)n(C)[n-]1	ZINC001390956130	923794191	/nfs/dbraw/zinc/79/41/91/923794191.db2.gz	HOZYCNXIXVRKOD-MRVPVSSYSA-N	-1	1	311.346	-2.272	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](CNC(=O)CCCC(N)=O)C2)nc1=O	ZINC001391111792	923807461	/nfs/dbraw/zinc/80/74/61/923807461.db2.gz	BFCWCIHKFWOBPX-JTQLQIEISA-N	-1	1	324.385	-1.298	20	0		DAADMM
CNC(=O)CCCC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001391410180	923832567	/nfs/dbraw/zinc/83/25/67/923832567.db2.gz	MPNKIHHYJVEJDZ-UHFFFAOYSA-N	-1	1	310.358	-1.675	20	0		DAADMM
NC(=O)NC(=O)CN1CC(CNC(=O)c2ncccc2[O-])C1	ZINC001391472313	923843187	/nfs/dbraw/zinc/84/31/87/923843187.db2.gz	PGIFSZCCTCXMJZ-UHFFFAOYSA-N	-1	1	307.310	-1.356	20	0		DAADMM
COC(=O)NCC(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001391482216	923845974	/nfs/dbraw/zinc/84/59/74/923845974.db2.gz	ZWKHTIUSGAMJMG-UHFFFAOYSA-N	-1	1	312.330	-1.988	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)CCn3ccnn3)C2)nc1=O	ZINC001391579225	923860682	/nfs/dbraw/zinc/86/06/82/923860682.db2.gz	IHAHCLKDZZJSQW-SNVBAGLBSA-N	-1	1	320.357	-1.519	20	0		DAADMM
O=C(Cn1cccn1)NC[C@H](O)CNC(=O)c1ncccc1[O-]	ZINC001391997996	923904395	/nfs/dbraw/zinc/90/43/95/923904395.db2.gz	BMMYHJOPZZCKJW-JTQLQIEISA-N	-1	1	319.321	-1.109	20	0		DAADMM
O=C(NC[C@H](O)CNC(=O)C1=COCCO1)c1ncccc1[O-]	ZINC001392009819	923907351	/nfs/dbraw/zinc/90/73/51/923907351.db2.gz	WZWXIVCCTOZCBJ-SECBINFHSA-N	-1	1	323.305	-1.118	20	0		DAADMM
CN(CCN(C)C(=O)CNC(=O)C1CC1)Cc1nc(=O)n(C)[n-]1	ZINC001392261648	923952481	/nfs/dbraw/zinc/95/24/81/923952481.db2.gz	NPLFRPNROOWZSG-UHFFFAOYSA-N	-1	1	324.385	-1.475	20	0		DAADMM
CN(CCN(C)C(=O)c1cnnn1C)Cc1nc(=O)n(C)[n-]1	ZINC001392271723	923956582	/nfs/dbraw/zinc/95/65/82/923956582.db2.gz	HFUUBIXWQRWXIQ-UHFFFAOYSA-N	-1	1	308.346	-1.559	20	0		DAADMM
CN(CCN(C)C(=O)[C@H]1CNC(=O)N1)Cc1nc(=O)n(C)[n-]1	ZINC001392301296	923959891	/nfs/dbraw/zinc/95/98/91/923959891.db2.gz	XYPVHLSABSPWLS-MRVPVSSYSA-N	-1	1	311.346	-2.320	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1CCc2nncn2C1	ZINC001392536973	924046608	/nfs/dbraw/zinc/04/66/08/924046608.db2.gz	NZGJLLYIIZKIAU-BDAKNGLRSA-N	-1	1	320.357	-1.041	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@H](C)CC(N)=O	ZINC001392680383	924064554	/nfs/dbraw/zinc/06/45/54/924064554.db2.gz	YQUSTSNZYAMLMS-RKDXNWHRSA-N	-1	1	312.374	-1.444	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@H]1CCC(=O)NC1	ZINC001392679667	924066938	/nfs/dbraw/zinc/06/69/38/924066938.db2.gz	MYNAWDZHJZDZNS-ZJUUUORDSA-N	-1	1	324.385	-1.429	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1cn(C)c(=O)[nH]1	ZINC001392689785	924067041	/nfs/dbraw/zinc/06/70/41/924067041.db2.gz	RDODUJQXPAAEBN-QMMMGPOBSA-N	-1	1	323.357	-1.202	20	0		DAADMM
CC(=O)N1CC(C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)C1	ZINC001392758517	924074616	/nfs/dbraw/zinc/07/46/16/924074616.db2.gz	DTBUNCCXBKQKNF-LLVKDONJSA-N	-1	1	322.369	-1.027	20	0		DAADMM
C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)Cn1ncnn1	ZINC001392838285	924083585	/nfs/dbraw/zinc/08/35/85/924083585.db2.gz	UBCJYAVWNBUSTC-QMMMGPOBSA-N	-1	1	305.298	-1.292	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)C[C@@H]2CCC(=O)N2)nc1=O	ZINC001392869659	924088587	/nfs/dbraw/zinc/08/85/87/924088587.db2.gz	VAWYJEAFBSVTNZ-UWVGGRQHSA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)C[C@H]2CCC(=O)N2)nc1=O	ZINC001392869653	924088724	/nfs/dbraw/zinc/08/87/24/924088724.db2.gz	VAWYJEAFBSVTNZ-NXEZZACHSA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)C3(C)CCC3)C2)nc1=O	ZINC001393328649	924176119	/nfs/dbraw/zinc/17/61/19/924176119.db2.gz	QZZVZGPNTUXJAV-UHFFFAOYSA-N	-1	1	309.370	-1.039	20	0		DAADMM
Cn1[n-]c(CN2CCC(CO)(NC(=O)C3CC3)CC2)nc1=O	ZINC001393838709	924259731	/nfs/dbraw/zinc/25/97/31/924259731.db2.gz	UDLCTPDVCBDWQZ-UHFFFAOYSA-N	-1	1	309.370	-1.039	20	0		DAADMM
C[C@H](CNC(=O)CCn1cncn1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001394041100	924276285	/nfs/dbraw/zinc/27/62/85/924276285.db2.gz	DDXFVPUPQXUACS-SNVBAGLBSA-N	-1	1	322.373	-1.273	20	0		DAADMM
C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001394078916	924277102	/nfs/dbraw/zinc/27/71/02/924277102.db2.gz	LJASIBWUPCSZSI-QMMMGPOBSA-N	-1	1	321.341	-1.146	20	0		DAADMM
Cn1[n-]c(CN2CC(CCO)(NC(=O)C(C)(C)F)C2)nc1=O	ZINC001394144904	924282752	/nfs/dbraw/zinc/28/27/52/924282752.db2.gz	ZDFBGWONBRACLN-UHFFFAOYSA-N	-1	1	315.349	-1.091	20	0		DAADMM
C[C@@H](CN(C)C(=O)C[C@@H]1CCNC1=O)NCc1n[nH]c(=O)[n-]1	ZINC001394486208	924304014	/nfs/dbraw/zinc/30/40/14/924304014.db2.gz	CDFPMJOJHXUEDM-IUCAKERBSA-N	-1	1	310.358	-1.027	20	0		DAADMM
O=C(NC[C@@H](CO)NCc1cc(=O)n2[n-]ccc2n1)C(F)F	ZINC001394563221	924308848	/nfs/dbraw/zinc/30/88/48/924308848.db2.gz	JUDICKJXYYYACC-QMMMGPOBSA-N	-1	1	315.280	-1.146	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)[C@@H]2CCCOC2)nc1=O	ZINC001394580324	924320342	/nfs/dbraw/zinc/32/03/42/924320342.db2.gz	XJEDOKMKVUCPIJ-ZJUUUORDSA-N	-1	1	313.358	-1.898	20	0		DAADMM
Cc1cccnc1C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001394583766	924322561	/nfs/dbraw/zinc/32/25/61/924322561.db2.gz	WPEDYNUACXEOSD-SNVBAGLBSA-N	-1	1	320.353	-1.308	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)[C@H]2C[C@@H]2C(F)F)nc1=O	ZINC001394586824	924324577	/nfs/dbraw/zinc/32/45/77/924324577.db2.gz	YPSNINPNHBVJIV-FXQIFTODSA-N	-1	1	319.312	-1.424	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)[C@]23C[C@H]2COC3)nc1=O	ZINC001394588276	924327155	/nfs/dbraw/zinc/32/71/55/924327155.db2.gz	HUCOZPHFYFQXDS-RVBZMBCESA-N	-1	1	311.342	-2.288	20	0		DAADMM
CC(=O)N(C)CC(=O)N[C@H](CO)CNC(=O)c1ncccc1[O-]	ZINC001395722461	924450201	/nfs/dbraw/zinc/45/02/01/924450201.db2.gz	YSOFLIWSYKMZAI-JTQLQIEISA-N	-1	1	324.337	-1.528	20	0		DAADMM
CCC(=O)N(C)C[C@H](O)CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001395962375	924490378	/nfs/dbraw/zinc/49/03/78/924490378.db2.gz	MGXUBTONSQICQC-MRVPVSSYSA-N	-1	1	322.325	-1.623	20	0		DAADMM
CCC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001395962380	924490553	/nfs/dbraw/zinc/49/05/53/924490553.db2.gz	MGXUBTONSQICQC-QMMMGPOBSA-N	-1	1	322.325	-1.623	20	0		DAADMM
CN(C[C@@H]1CCN1CCO)C(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC001396991127	924552409	/nfs/dbraw/zinc/55/24/09/924552409.db2.gz	AZBRFIHIWRISRO-VIFPVBQESA-N	-1	1	311.342	-1.260	20	0		DAADMM
CN(CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)c1ncccc1[O-]	ZINC001398018761	924620930	/nfs/dbraw/zinc/62/09/30/924620930.db2.gz	ZAPLZBLNOHFJEP-QMMMGPOBSA-N	-1	1	307.310	-1.343	20	0		DAADMM
CN(CCNC(=O)[C@H]1CNC(=O)N1)C(=O)c1ncccc1[O-]	ZINC001398018759	924621373	/nfs/dbraw/zinc/62/13/73/924621373.db2.gz	ZAPLZBLNOHFJEP-MRVPVSSYSA-N	-1	1	307.310	-1.343	20	0		DAADMM
Cn1cnc(C(=O)NC[C@H](NCc2n[nH]c(=O)[n-]2)C2CC2)n1	ZINC001398384060	924640375	/nfs/dbraw/zinc/64/03/75/924640375.db2.gz	CGXBZDZPMJGGHR-QMMMGPOBSA-N	-1	1	306.330	-1.063	20	0		DAADMM
CN1C[C@H](C(=O)NC[C@H](NCc2n[nH]c(=O)[n-]2)C2CC2)NC1=O	ZINC001398439724	924642180	/nfs/dbraw/zinc/64/21/80/924642180.db2.gz	SBYNKPVUDKFXPA-DTWKUNHWSA-N	-1	1	323.357	-1.482	20	0		DAADMM
Cc1nn(C)cc1CC(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001399503918	924707264	/nfs/dbraw/zinc/70/72/64/924707264.db2.gz	OPKJPUZLRLUKLF-UHFFFAOYSA-N	-1	1	321.385	-1.059	20	0		DAADMM
C[C@H](O)CN(C)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC001399609295	924711507	/nfs/dbraw/zinc/71/15/07/924711507.db2.gz	PWVOFVSGXXDFEA-VIFPVBQESA-N	-1	1	308.342	-1.500	20	0		DAADMM
CCN(CCNC(=O)c1c[nH]c(=O)cn1)Cc1nc(=O)n(C)[n-]1	ZINC001399741656	924721407	/nfs/dbraw/zinc/72/14/07/924721407.db2.gz	JHYMAJUXLARIRD-UHFFFAOYSA-N	-1	1	321.341	-1.556	20	0		DAADMM
O=C(Cn1ccnc1)NC[C@@H](O)CNC(=O)c1ncccc1[O-]	ZINC001399824290	924739515	/nfs/dbraw/zinc/73/95/15/924739515.db2.gz	GXXBLKIFTILRFY-SNVBAGLBSA-N	-1	1	319.321	-1.109	20	0		DAADMM
CNC(=O)NCC(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001400476261	924804337	/nfs/dbraw/zinc/80/43/37/924804337.db2.gz	ZEKSPTQLFGEOFG-UHFFFAOYSA-N	-1	1	311.346	-2.415	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)[C@@H]1CCNC(=O)C1	ZINC001401214895	924850610	/nfs/dbraw/zinc/85/06/10/924850610.db2.gz	KMRQZLPCHVSJEA-DTWKUNHWSA-N	-1	1	310.358	-1.027	20	0		DAADMM
CNC(=O)NCCC(=O)N(C)[C@@H](C)CNCc1n[nH]c(=O)[n-]1	ZINC001401213119	924851515	/nfs/dbraw/zinc/85/15/15/924851515.db2.gz	PAHUCNFYMQVPQO-QMMMGPOBSA-N	-1	1	313.362	-1.234	20	0		DAADMM
CN(CCN(C)C(=O)[C@@H]1CCC(=O)NC1)Cc1nc(=O)n(C)[n-]1	ZINC001401376375	924858916	/nfs/dbraw/zinc/85/89/16/924858916.db2.gz	PZILSHRTISBGJL-SNVBAGLBSA-N	-1	1	324.385	-1.475	20	0		DAADMM
C[C@H](O)CN(C)CCN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC001401406756	924859034	/nfs/dbraw/zinc/85/90/34/924859034.db2.gz	IGYQJZFJQTVMLO-JTQLQIEISA-N	-1	1	322.369	-1.158	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001402074913	924942979	/nfs/dbraw/zinc/94/29/79/924942979.db2.gz	QUGGJOKDWSOPKS-NXEZZACHSA-N	-1	1	324.385	-1.300	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)CC(C)(C)O)C2)nc1=O	ZINC001402326766	924975945	/nfs/dbraw/zinc/97/59/45/924975945.db2.gz	PTXNACQLUKFQEZ-UHFFFAOYSA-N	-1	1	313.358	-2.068	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)[C@]34C[C@H]3COC4)C2)nc1=O	ZINC001402334128	924977865	/nfs/dbraw/zinc/97/78/65/924977865.db2.gz	MOWZNFNISWKHBD-XPTSAGLGSA-N	-1	1	323.353	-2.192	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)nc1=O	ZINC001402346392	924983892	/nfs/dbraw/zinc/98/38/92/924983892.db2.gz	JGHFQCHFIHPOJE-JZYVYDRUSA-N	-1	1	323.353	-2.336	20	0		DAADMM
Cc1c[nH]c(C(=O)NCC2(O)CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001402351139	924984953	/nfs/dbraw/zinc/98/49/53/924984953.db2.gz	AOWLHXICJJYGJA-UHFFFAOYSA-N	-1	1	321.341	-1.883	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@](CO)(NC(=O)C(F)F)C2)nc1=O	ZINC001402438190	924996185	/nfs/dbraw/zinc/99/61/85/924996185.db2.gz	RHZHATRTLKCTJK-LBPRGKRZSA-N	-1	1	319.312	-1.183	20	0		DAADMM
Cc1nn[nH]c1C(=O)NC[C@@H](C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001403163166	925057139	/nfs/dbraw/zinc/05/71/39/925057139.db2.gz	NTDFJAGKNAALCJ-SSDOTTSWSA-N	-1	1	308.346	-1.215	20	0		DAADMM
CN(CCNC(=O)CCn1cccn1)Cc1nc(=O)n(C)[n-]1	ZINC001403507787	925080667	/nfs/dbraw/zinc/08/06/67/925080667.db2.gz	JELIOCIDRJLGOH-UHFFFAOYSA-N	-1	1	307.358	-1.057	20	0		DAADMM
Cc1cnn(CC(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)c1	ZINC001403522941	925081262	/nfs/dbraw/zinc/08/12/62/925081262.db2.gz	PPRCBPPEZVUSHP-UHFFFAOYSA-N	-1	1	307.358	-1.138	20	0		DAADMM
CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001403548634	925084622	/nfs/dbraw/zinc/08/46/22/925084622.db2.gz	MKWFWJGKUVPHRH-IUCAKERBSA-N	-1	1	323.357	-1.482	20	0		DAADMM
CN(C(=O)[C@@H]1CNC(=O)N1)[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001403548623	925084717	/nfs/dbraw/zinc/08/47/17/925084717.db2.gz	MKWFWJGKUVPHRH-DTWKUNHWSA-N	-1	1	323.357	-1.482	20	0		DAADMM
Cn1nnnc1CN[C@H](CO)CNC(=O)c1ncccc1[O-]	ZINC001403634684	925090839	/nfs/dbraw/zinc/09/08/39/925090839.db2.gz	ABMGYTKQYAOEDH-QMMMGPOBSA-N	-1	1	307.314	-1.809	20	0		DAADMM
Cc1ncccc1C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001403693209	925117884	/nfs/dbraw/zinc/11/78/84/925117884.db2.gz	FLAUOTGESSKMAE-SNVBAGLBSA-N	-1	1	320.353	-1.308	20	0		DAADMM
CC(C)[C@@H](F)C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001403715511	925126778	/nfs/dbraw/zinc/12/67/78/925126778.db2.gz	XJPVRKODCPZURW-WCBMZHEXSA-N	-1	1	303.338	-1.331	20	0		DAADMM
COC(=O)NCC(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001403764201	925139407	/nfs/dbraw/zinc/13/94/07/925139407.db2.gz	XYCQROUPGYXFHW-JGVFFNPUSA-N	-1	1	312.330	-1.055	20	0		DAADMM
CCN(CCNC(=O)c1cnn(C)c1N)Cc1nc(=O)n(C)[n-]1	ZINC001403848649	925153939	/nfs/dbraw/zinc/15/39/39/925153939.db2.gz	UOIWIBJFELZWLV-UHFFFAOYSA-N	-1	1	322.373	-1.324	20	0		DAADMM
NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001404509731	925200847	/nfs/dbraw/zinc/20/08/47/925200847.db2.gz	BSIUANKJJGCYBM-AEJSXWLSSA-N	-1	1	322.369	-1.040	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CCn3cccn3)C2)nc1=O	ZINC001404719513	925211307	/nfs/dbraw/zinc/21/13/07/925211307.db2.gz	HDYIRBQSZULVOA-UHFFFAOYSA-N	-1	1	305.342	-1.304	20	0		DAADMM
C[C@H](CC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1)NC(N)=O	ZINC001404770627	925214025	/nfs/dbraw/zinc/21/40/25/925214025.db2.gz	LAXWZBHBJLFKPG-SSDOTTSWSA-N	-1	1	311.346	-2.144	20	0		DAADMM
Cn1ccnc1CCC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001404796063	925214927	/nfs/dbraw/zinc/21/49/27/925214927.db2.gz	KMALRAFKLAOMNY-UHFFFAOYSA-N	-1	1	319.369	-1.225	20	0		DAADMM
CN(C(=O)CCCC(N)=O)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001405152754	925244231	/nfs/dbraw/zinc/24/42/31/925244231.db2.gz	VYPWPMOEECAUDB-SNVBAGLBSA-N	-1	1	324.385	-1.203	20	0		DAADMM
CC(=O)N1CC(C(=O)N(C)[C@H](C)CNCc2n[nH]c(=O)[n-]2)C1	ZINC001405804364	925335293	/nfs/dbraw/zinc/33/52/93/925335293.db2.gz	IYUDANYWTYIFQW-MRVPVSSYSA-N	-1	1	310.358	-1.075	20	0		DAADMM
O=C(NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1)[C@@H]1CCCOCC1	ZINC001406216912	925358556	/nfs/dbraw/zinc/35/85/56/925358556.db2.gz	MXJYDEYYJBVRJP-ZJUUUORDSA-N	-1	1	313.358	-1.106	20	0		DAADMM
CO[C@H](C(=O)NC[C@H](O)CNCc1n[nH]c(=O)[n-]1)C1CCC1	ZINC001406258198	925381635	/nfs/dbraw/zinc/38/16/35/925381635.db2.gz	YUTYBIYEDQAEPV-KOLCDFICSA-N	-1	1	313.358	-1.108	20	0		DAADMM
CO[C@@H](C(=O)NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C1CCC1	ZINC001406258197	925382331	/nfs/dbraw/zinc/38/23/31/925382331.db2.gz	YUTYBIYEDQAEPV-GXSJLCMTSA-N	-1	1	313.358	-1.108	20	0		DAADMM
CCN1C[C@@H](C(=O)N[C@@H](C)CNCc2n[nH]c(=O)[n-]2)CC1=O	ZINC001406475198	925416380	/nfs/dbraw/zinc/41/63/80/925416380.db2.gz	QINDMRALDDSQJT-IUCAKERBSA-N	-1	1	310.358	-1.027	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC001406697107	925429349	/nfs/dbraw/zinc/42/93/49/925429349.db2.gz	QRGYWTNDUTYQDW-IUCAKERBSA-N	-1	1	310.358	-1.677	20	0		DAADMM
CN1CCO[C@H](C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)C1	ZINC001406760852	925431626	/nfs/dbraw/zinc/43/16/26/925431626.db2.gz	YOFNIWCCMWXTCN-QWRGUYRKSA-N	-1	1	324.385	-1.175	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](C)(NC(=O)CCCC(N)=O)C2)nc1=O	ZINC001407220808	925459279	/nfs/dbraw/zinc/45/92/79/925459279.db2.gz	XJEORFAOQWCIIX-AWEZNQCLSA-N	-1	1	324.385	-1.155	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](O)(CNC(=O)C(C)(F)F)C2)nc1=O	ZINC001407315159	925462618	/nfs/dbraw/zinc/46/26/18/925462618.db2.gz	JWGMTHIFEMWYCE-LBPRGKRZSA-N	-1	1	319.312	-1.183	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)CC3CCC3)C2)nc1=O	ZINC001407398320	925479939	/nfs/dbraw/zinc/47/99/39/925479939.db2.gz	MRWJNEFDBPFMPS-UHFFFAOYSA-N	-1	1	309.370	-1.039	20	0		DAADMM
COC[C@@H](C)C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001407397003	925480331	/nfs/dbraw/zinc/48/03/31/925480331.db2.gz	HSKLWQSPMJNAEI-SECBINFHSA-N	-1	1	313.358	-1.946	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)CCC3CC3)C2)nc1=O	ZINC001407399216	925482155	/nfs/dbraw/zinc/48/21/55/925482155.db2.gz	QCLWQYPHDVDWMV-UHFFFAOYSA-N	-1	1	309.370	-1.039	20	0		DAADMM
CC[C@@H](OC)C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001407404075	925483247	/nfs/dbraw/zinc/48/32/47/925483247.db2.gz	XMKBOAVEPOSTEO-SECBINFHSA-N	-1	1	313.358	-1.804	20	0		DAADMM
Cn1ncc(C(=O)NCC2(O)CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001407437654	925493035	/nfs/dbraw/zinc/49/30/35/925493035.db2.gz	ZNZJJRAWJIVMLK-UHFFFAOYSA-N	-1	1	322.329	-2.786	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)CCCF)C2)nc1=O	ZINC001407482210	925499357	/nfs/dbraw/zinc/49/93/57/925499357.db2.gz	IJZHWMCHYVGPOG-UHFFFAOYSA-N	-1	1	301.322	-1.479	20	0		DAADMM
CO[C@@H](C)C(=O)N1CCC(O)(CNCc2n[nH]c(=O)[n-]2)CC1	ZINC001408147044	925551602	/nfs/dbraw/zinc/55/16/02/925551602.db2.gz	SNAQBERSZWTOAZ-VIFPVBQESA-N	-1	1	313.358	-1.012	20	0		DAADMM
C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001409564981	925635747	/nfs/dbraw/zinc/63/57/47/925635747.db2.gz	DZULWVIGNZVWCL-NXEZZACHSA-N	-1	1	324.385	-1.477	20	0		DAADMM
C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)[C@@H]1CCN(C)C1=O	ZINC001409603552	925637390	/nfs/dbraw/zinc/63/73/90/925637390.db2.gz	RLKICIIYKIXELJ-JGVFFNPUSA-N	-1	1	324.341	-1.436	20	0		DAADMM
C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001409601650	925637600	/nfs/dbraw/zinc/63/76/00/925637600.db2.gz	JYPOOWTVKWPKFX-ZJUUUORDSA-N	-1	1	324.385	-1.334	20	0		DAADMM
C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001409565006	925638397	/nfs/dbraw/zinc/63/83/97/925638397.db2.gz	DZULWVIGNZVWCL-ZJUUUORDSA-N	-1	1	324.385	-1.477	20	0		DAADMM
C[C@@H](CN(C)C(=O)CS(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001410339935	925711728	/nfs/dbraw/zinc/71/17/28/925711728.db2.gz	KAUUILUQJYFISE-ZETCQYMHSA-N	-1	1	305.360	-1.509	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)c2cnns2)nc1=O	ZINC001410578762	925733679	/nfs/dbraw/zinc/73/36/79/925733679.db2.gz	JPKOMIOYUSWKQL-ZCFIWIBFSA-N	-1	1	313.343	-2.160	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)C2=COCCC2)nc1=O	ZINC001410596080	925736865	/nfs/dbraw/zinc/73/68/65/925736865.db2.gz	YJTOHGUVMBMLNX-JTQLQIEISA-N	-1	1	311.342	-1.631	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)C2(C(F)F)CC2)nc1=O	ZINC001410662382	925751487	/nfs/dbraw/zinc/75/14/87/925751487.db2.gz	VBLZOGZGUNWZAL-SSDOTTSWSA-N	-1	1	319.312	-1.280	20	0		DAADMM
Cc1ncc(CC(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)o1	ZINC001410661074	925751746	/nfs/dbraw/zinc/75/17/46/925751746.db2.gz	SBLNAIKKGXHGJV-VIFPVBQESA-N	-1	1	324.341	-1.786	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)C(C)(C)C(F)F)nc1=O	ZINC001410723777	925766978	/nfs/dbraw/zinc/76/69/78/925766978.db2.gz	HZSBMRMTRYURGA-ZETCQYMHSA-N	-1	1	321.328	-1.034	20	0		DAADMM
CO[C@@H](C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1)C(C)C	ZINC001410726981	925768102	/nfs/dbraw/zinc/76/81/02/925768102.db2.gz	IXMNVFUNXXDVOI-MWLCHTKSSA-N	-1	1	315.374	-1.654	20	0		DAADMM
Cc1ccnn1CC(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001410735824	925771675	/nfs/dbraw/zinc/77/16/75/925771675.db2.gz	VMAPKZWZEFNPIJ-JTQLQIEISA-N	-1	1	323.357	-2.120	20	0		DAADMM
Cc1ccnn1CC(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001410735826	925772358	/nfs/dbraw/zinc/77/23/58/925772358.db2.gz	VMAPKZWZEFNPIJ-SNVBAGLBSA-N	-1	1	323.357	-2.120	20	0		DAADMM
CC(C)OCC(=O)N(C)C[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001410971942	925797347	/nfs/dbraw/zinc/79/73/47/925797347.db2.gz	FMBFESLLYNPXFI-SECBINFHSA-N	-1	1	301.347	-1.156	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)C[C@@H]1CCCO1	ZINC001410996805	925800996	/nfs/dbraw/zinc/80/09/96/925800996.db2.gz	WJUDTFMOBAXIEN-UWVGGRQHSA-N	-1	1	313.358	-1.012	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)Cc1ccn(C)n1	ZINC001411075359	925810201	/nfs/dbraw/zinc/81/02/01/925810201.db2.gz	TVVOFUZAIFXJDM-SNVBAGLBSA-N	-1	1	323.357	-1.605	20	0		DAADMM
O=C(CCc1nn[n-]n1)N1CCN(C(=O)N2CCOCC2)CC1	ZINC001411622523	925848814	/nfs/dbraw/zinc/84/88/14/925848814.db2.gz	PDNLEHDIXXDVHF-UHFFFAOYSA-N	-1	1	323.357	-1.271	20	0		DAADMM
CS(=O)(=O)NC1CCN(C(=O)CCc2nn[n-]n2)CC1	ZINC001411628655	925849626	/nfs/dbraw/zinc/84/96/26/925849626.db2.gz	HUHSMNBLRYOOLB-UHFFFAOYSA-N	-1	1	302.360	-1.328	20	0		DAADMM
O=C(C1=NN(CCO)C(=O)CC1)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001411784367	925858659	/nfs/dbraw/zinc/85/86/59/925858659.db2.gz	XKYNLKARONBMQB-SECBINFHSA-N	-1	1	323.313	-1.930	20	0		DAADMM
O=C([C@H]1CCS(=O)(=O)N1)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC001411936507	925862136	/nfs/dbraw/zinc/86/21/36/925862136.db2.gz	IJQLYPXCWDUYLD-HTQZYQBOSA-N	-1	1	300.344	-1.403	20	0		DAADMM
C[C@H]1CN(C(=O)CCc2nn[n-]n2)CCN1S(C)(=O)=O	ZINC001411972534	925864776	/nfs/dbraw/zinc/86/47/76/925864776.db2.gz	RCTHIIVAOUKACT-QMMMGPOBSA-N	-1	1	302.360	-1.375	20	0		DAADMM
COCC(=O)N(C)CC(=O)N1CCSC[C@H]1c1nn[n-]n1	ZINC001412039941	925869810	/nfs/dbraw/zinc/86/98/10/925869810.db2.gz	DNVXCXXDEWJRPB-QMMMGPOBSA-N	-1	1	314.371	-1.079	20	0		DAADMM
COCCS(=O)(=O)CC(=O)N1CCC[C@H](c2nn[n-]n2)C1	ZINC001412060993	925870966	/nfs/dbraw/zinc/87/09/66/925870966.db2.gz	XLZRPJYGVAMBLC-VIFPVBQESA-N	-1	1	317.371	-1.033	20	0		DAADMM
CC(=O)N1CCN(CCNC(=O)CCCc2nn[n-]n2)CC1	ZINC001412425711	925896070	/nfs/dbraw/zinc/89/60/70/925896070.db2.gz	XEIADNASVAAKGF-UHFFFAOYSA-N	-1	1	309.374	-1.197	20	0		DAADMM
O=C([C@@H]1CCCS1(=O)=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001412430756	925896283	/nfs/dbraw/zinc/89/62/83/925896283.db2.gz	JWFQVJASORTROL-SFYZADRCSA-N	-1	1	301.328	-1.323	20	0		DAADMM
CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001412429277	925896534	/nfs/dbraw/zinc/89/65/34/925896534.db2.gz	CVHXMTZJRNCZHP-SFYZADRCSA-N	-1	1	318.359	-1.573	20	0		DAADMM
O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1	ZINC001412482591	925901279	/nfs/dbraw/zinc/90/12/79/925901279.db2.gz	LEHXNZGAFIFNOE-BDAKNGLRSA-N	-1	1	309.326	-1.046	20	0		DAADMM
O=C(c1cnn(C[C@H](O)CO)c1)N1CCC(c2nn[n-]n2)CC1	ZINC001412490806	925902940	/nfs/dbraw/zinc/90/29/40/925902940.db2.gz	OKQQXQWLRVOHNW-NSHDSACASA-N	-1	1	321.341	-1.231	20	0		DAADMM
CN1CCn2nc(C(=O)NCc3nn[n-]n3)cc2S1(=O)=O	ZINC001412505218	925904125	/nfs/dbraw/zinc/90/41/25/925904125.db2.gz	MYNBXEAGCVWKGB-UHFFFAOYSA-N	-1	1	312.315	-2.040	20	0		DAADMM
Cn1nc2c(c1C(=O)NCc1nn[n-]n1)CS(=O)(=O)CC2	ZINC001412502571	925904255	/nfs/dbraw/zinc/90/42/55/925904255.db2.gz	KAAAZZYTFOUTTL-UHFFFAOYSA-N	-1	1	311.327	-1.666	20	0		DAADMM
COC[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)c1nn[n-]n1	ZINC001412602842	925915042	/nfs/dbraw/zinc/91/50/42/925915042.db2.gz	GPDVTNBZDNVRKI-ZETCQYMHSA-N	-1	1	321.363	-2.258	20	0		DAADMM
CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)CCc2nn[n-]n2)C1	ZINC001412777797	925942530	/nfs/dbraw/zinc/94/25/30/925942530.db2.gz	KKTWHDFEYSCZTP-RKDXNWHRSA-N	-1	1	312.330	-1.302	20	0		DAADMM
CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCc1nn[n-]n1	ZINC001412888831	925975853	/nfs/dbraw/zinc/97/58/53/925975853.db2.gz	KSAHFKRGEXJVHL-YUMQZZPRSA-N	-1	1	312.330	-1.295	20	0		DAADMM
NS(=O)(=O)C[C@@H]1CCCN(C(=O)CCc2nn[n-]n2)C1	ZINC001412883361	925976948	/nfs/dbraw/zinc/97/69/48/925976948.db2.gz	YDRGPEWGRBTBIF-MRVPVSSYSA-N	-1	1	302.360	-1.341	20	0		DAADMM
NS(=O)(=O)C[C@H]1CCCN(C(=O)CCc2nn[n-]n2)C1	ZINC001412883363	925977118	/nfs/dbraw/zinc/97/71/18/925977118.db2.gz	YDRGPEWGRBTBIF-QMMMGPOBSA-N	-1	1	302.360	-1.341	20	0		DAADMM
CNS(=O)(=O)NC1CCN(C(=O)c2cnncc2[O-])CC1	ZINC001412922033	925985003	/nfs/dbraw/zinc/98/50/03/925985003.db2.gz	ICECXIRHQJFHRV-UHFFFAOYSA-N	-1	1	315.355	-1.159	20	0		DAADMM
Cc1noc(CC[N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)n1	ZINC001413277333	926026075	/nfs/dbraw/zinc/02/60/75/926026075.db2.gz	ALXCXQLEPUHIBJ-UHFFFAOYSA-N	-1	1	315.311	-1.302	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](CO)C2)[n-]n1	ZINC001413324900	926035193	/nfs/dbraw/zinc/03/51/93/926035193.db2.gz	GFCYXSKZNRNEPP-SFYZADRCSA-N	-1	1	319.339	-1.033	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](CO)C2)n[n-]1	ZINC001413324900	926035201	/nfs/dbraw/zinc/03/52/01/926035201.db2.gz	GFCYXSKZNRNEPP-SFYZADRCSA-N	-1	1	319.339	-1.033	20	0		DAADMM
CNC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@H](OC)[C@H]1CCOC1	ZINC001413331260	926036218	/nfs/dbraw/zinc/03/62/18/926036218.db2.gz	VZNWODJIERNWJH-GUBZILKMSA-N	-1	1	310.372	-1.936	20	0		DAADMM
CNC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1	ZINC001413331265	926036708	/nfs/dbraw/zinc/03/67/08/926036708.db2.gz	VZNWODJIERNWJH-KXUCPTDWSA-N	-1	1	310.372	-1.936	20	0		DAADMM
CNC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@@H](OC)[C@H]1CCOC1	ZINC001413331270	926037862	/nfs/dbraw/zinc/03/78/62/926037862.db2.gz	VZNWODJIERNWJH-LPEHRKFASA-N	-1	1	310.372	-1.936	20	0		DAADMM
C[C@@H]1C[C@H]([N-]S(=O)(=O)CCS(=O)(=O)N(C)C)C(=O)O1	ZINC001413354605	926042215	/nfs/dbraw/zinc/04/22/15/926042215.db2.gz	LETBHXOJZDYFHB-SFYZADRCSA-N	-1	1	314.385	-1.499	20	0		DAADMM
CS(=O)(=O)CCS(=O)(=O)[N-][C@H](C(N)=O)c1ccccn1	ZINC001413361207	926043393	/nfs/dbraw/zinc/04/33/93/926043393.db2.gz	ZSXYBIGHSBNROZ-VIFPVBQESA-N	-1	1	321.380	-1.428	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@H]2COCO2)c(=O)n(C)c1=O	ZINC001413366258	926045466	/nfs/dbraw/zinc/04/54/66/926045466.db2.gz	FCGLXTFXQBSQDE-ZETCQYMHSA-N	-1	1	305.312	-2.265	20	0		DAADMM
NC(=O)c1cccc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)n1	ZINC001413390351	926048181	/nfs/dbraw/zinc/04/81/81/926048181.db2.gz	WVKVMBINIWGVLX-SECBINFHSA-N	-1	1	303.282	-1.093	20	0		DAADMM
NS(=O)(=O)C[C@H]1CCN(C(=O)CCCc2nn[n-]n2)C1	ZINC001413735553	926073930	/nfs/dbraw/zinc/07/39/30/926073930.db2.gz	BZHUUVLNCAFARX-QMMMGPOBSA-N	-1	1	302.360	-1.341	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H](CO)CC(F)F)c(=O)[nH]c1=O	ZINC001414247618	926112255	/nfs/dbraw/zinc/11/22/55/926112255.db2.gz	OWQGWHVYWJIZPM-RXMQYKEDSA-N	-1	1	313.282	-1.220	20	0		DAADMM
COC(=O)[C@H](CO)[N-]S(=O)(=O)[C@H]1CC[C@@H](C(=O)OC)C1	ZINC001414246152	926112582	/nfs/dbraw/zinc/11/25/82/926112582.db2.gz	ZKXIKGDWJYQTRF-VGMNWLOBSA-N	-1	1	309.340	-1.219	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@H]2C(=O)NCC2(C)C)[n-]n1	ZINC001414305249	926116215	/nfs/dbraw/zinc/11/62/15/926116215.db2.gz	FAEAAAMKCRCNCV-MRVPVSSYSA-N	-1	1	316.339	-1.001	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@H]2C(=O)NCC2(C)C)n[n-]1	ZINC001414305249	926116222	/nfs/dbraw/zinc/11/62/22/926116222.db2.gz	FAEAAAMKCRCNCV-MRVPVSSYSA-N	-1	1	316.339	-1.001	20	0		DAADMM
COC(=O)[C@H]1C[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)C1	ZINC001414305999	926116571	/nfs/dbraw/zinc/11/65/71/926116571.db2.gz	BGKNFXADGCCANU-LJGSYFOKSA-N	-1	1	317.323	-1.284	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@]2(C)CCC(=O)N2)c(=O)[nH]c1=O	ZINC001414282755	926116666	/nfs/dbraw/zinc/11/66/66/926116666.db2.gz	UOIQKTYXWZTBJL-LLVKDONJSA-N	-1	1	316.339	-1.567	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CC3(C2)CNC(=O)O3)[n-]n1	ZINC001414295895	926116680	/nfs/dbraw/zinc/11/66/80/926116680.db2.gz	WYBDXNKMDMKISB-UHFFFAOYSA-N	-1	1	316.295	-1.321	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CC3(C2)CNC(=O)O3)n[n-]1	ZINC001414295895	926116683	/nfs/dbraw/zinc/11/66/83/926116683.db2.gz	WYBDXNKMDMKISB-UHFFFAOYSA-N	-1	1	316.295	-1.321	20	0		DAADMM
CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1C(=O)NCC1(C)C	ZINC001414309887	926117319	/nfs/dbraw/zinc/11/73/19/926117319.db2.gz	SLOOITICZIHUEC-MDTSDYNXSA-N	-1	1	312.417	-1.080	20	0		DAADMM
COC(=O)C(C)(C)C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001414330732	926119223	/nfs/dbraw/zinc/11/92/23/926119223.db2.gz	IVBUIMGYTQAUQU-UHFFFAOYSA-N	-1	1	319.339	-1.037	20	0		DAADMM
NC(=O)NCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001414771556	926145889	/nfs/dbraw/zinc/14/58/89/926145889.db2.gz	CKLCADWDOMPOOG-QMMMGPOBSA-N	-1	1	307.310	-1.214	20	0		DAADMM
CNC(=O)NCC(=O)N[C@H](C)CNC(=O)c1ncccc1[O-]	ZINC001415142631	926164790	/nfs/dbraw/zinc/16/47/90/926164790.db2.gz	DBTUBEUFHUKVJX-MRVPVSSYSA-N	-1	1	309.326	-1.049	20	0		DAADMM
Cn1ccc(CC(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)n1	ZINC001415833652	926205956	/nfs/dbraw/zinc/20/59/56/926205956.db2.gz	GEUQAHBOLBFDDD-UHFFFAOYSA-N	-1	1	319.369	-1.271	20	0		DAADMM
CO[C@@H](C)C(=O)N[C@@H](C)CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001416880062	926284101	/nfs/dbraw/zinc/28/41/01/926284101.db2.gz	RHOGTHWIDXCYDP-YUMQZZPRSA-N	-1	1	322.325	-1.313	20	0		DAADMM
O=C(CCCc1nn[n-]n1)NCCN1CCCS1(=O)=O	ZINC001417621978	926321381	/nfs/dbraw/zinc/32/13/81/926321381.db2.gz	VSXVGJNSNOLPJW-UHFFFAOYSA-N	-1	1	302.360	-1.326	20	0		DAADMM
Cn1cc([C@H](O)C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cn1	ZINC001417725766	926331156	/nfs/dbraw/zinc/33/11/56/926331156.db2.gz	INDWKRKMISZWBN-VIFPVBQESA-N	-1	1	307.314	-1.523	20	0		DAADMM
O=C(C1CS(=O)(=O)C1)N1CCSC[C@@H]1c1nn[n-]n1	ZINC001417719350	926331587	/nfs/dbraw/zinc/33/15/87/926331587.db2.gz	DCUIQIDYLWOWEQ-SSDOTTSWSA-N	-1	1	303.369	-1.139	20	0		DAADMM
C[C@H](C(=O)N1CCC(O)(c2nn[n-]n2)CC1)S(C)(=O)=O	ZINC001417725857	926332345	/nfs/dbraw/zinc/33/23/45/926332345.db2.gz	LQAHLTPEVWWOPB-SSDOTTSWSA-N	-1	1	303.344	-1.557	20	0		DAADMM
CN(C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)Cc1ncn[nH]1	ZINC001417750128	926334587	/nfs/dbraw/zinc/33/45/87/926334587.db2.gz	UTZZOAHIVGFPOO-QMMMGPOBSA-N	-1	1	306.330	-1.096	20	0		DAADMM
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCOC2)o1	ZINC001417815293	926338491	/nfs/dbraw/zinc/33/84/91/926338491.db2.gz	PTSZNFDPRHUPTG-UHFFFAOYSA-N	-1	1	317.323	-1.137	20	0		DAADMM
O=C(CN1CCOCC1)NC[C@H](NCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001417971808	926354572	/nfs/dbraw/zinc/35/45/72/926354572.db2.gz	GWXUYBMCROMOQU-NSHDSACASA-N	-1	1	324.385	-1.173	20	0		DAADMM
CSc1nc(CNC(=O)CN2CCNC(=O)C2)cc(=O)[n-]1	ZINC001418213704	926370142	/nfs/dbraw/zinc/37/01/42/926370142.db2.gz	KRBOALRWIKWQCP-UHFFFAOYSA-N	-1	1	311.367	-1.048	20	0		DAADMM
CCCS(=O)(=O)CC(=O)NC[C@@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001418318960	926381153	/nfs/dbraw/zinc/38/11/53/926381153.db2.gz	YQGOFXROQQUHJD-MRVPVSSYSA-N	-1	1	319.387	-1.071	20	0		DAADMM
CN(CCNC(=O)CS(C)(=O)=O)Cc1nc(=O)n(C)[n-]1	ZINC001418445458	926388367	/nfs/dbraw/zinc/38/83/67/926388367.db2.gz	OYFXTIWYKJPQHW-UHFFFAOYSA-N	-1	1	305.360	-2.299	20	0		DAADMM
C[C@H](CCNC(=O)[C@H](C)S(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001418403756	926388723	/nfs/dbraw/zinc/38/87/23/926388723.db2.gz	HLRCBEJZKLLPOE-SFYZADRCSA-N	-1	1	319.387	-1.072	20	0		DAADMM
CN(CCNC(=O)c1ccc(=O)n(C)c1)Cc1nc(=O)n(C)[n-]1	ZINC001418479825	926393775	/nfs/dbraw/zinc/39/37/75/926393775.db2.gz	VOZRAMPZMTZJKC-UHFFFAOYSA-N	-1	1	320.353	-1.331	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001418582661	926406282	/nfs/dbraw/zinc/40/62/82/926406282.db2.gz	PHGRFFMQENCVFA-NXEZZACHSA-N	-1	1	324.385	-1.347	20	0		DAADMM
CNS(=O)(=O)N1CCC(C(=O)N(C)c2nn[n-]n2)CC1	ZINC001418614901	926410027	/nfs/dbraw/zinc/41/00/27/926410027.db2.gz	IRQSLUWJSUXQLU-UHFFFAOYSA-N	-1	1	303.348	-1.661	20	0		DAADMM
Cc1nc(S(=O)(=O)NCC(=O)N(C)c2nn[n-]n2)cn1C	ZINC001418622497	926411233	/nfs/dbraw/zinc/41/12/33/926411233.db2.gz	RIZVKYMCTRESSK-UHFFFAOYSA-N	-1	1	314.331	-1.817	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C	ZINC001418793925	926421697	/nfs/dbraw/zinc/42/16/97/926421697.db2.gz	OJLSDYSSYFOKIV-KKZNHRDASA-N	-1	1	324.385	-1.288	20	0		DAADMM
Cn1[n-]c(CN(CCNC(=O)Cn2cncn2)C2CC2)nc1=O	ZINC001418798780	926423147	/nfs/dbraw/zinc/42/31/47/926423147.db2.gz	QAXPNBQCRCCVPZ-UHFFFAOYSA-N	-1	1	320.357	-1.519	20	0		DAADMM
C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001418863167	926429103	/nfs/dbraw/zinc/42/91/03/926429103.db2.gz	JOYKRBMDKKCFDJ-SFYZADRCSA-N	-1	1	303.344	-1.220	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(C)[C@@H](CO)C2)o1	ZINC001418910139	926430053	/nfs/dbraw/zinc/43/00/53/926430053.db2.gz	DVBGMILCQPMSIV-SECBINFHSA-N	-1	1	317.367	-1.064	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CNC(=O)C3CC3)C2)nc1=O	ZINC001418966203	926434644	/nfs/dbraw/zinc/43/46/44/926434644.db2.gz	RQAXXMSQQBYAPM-UHFFFAOYSA-N	-1	1	308.342	-2.065	20	0		DAADMM
CS(=O)(=O)NCCN1CC(NC(=O)c2ncccc2[O-])C1	ZINC001418976160	926437526	/nfs/dbraw/zinc/43/75/26/926437526.db2.gz	XRTJFUTVIUZNHM-UHFFFAOYSA-N	-1	1	314.367	-1.250	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)Cc3nc[nH]n3)C2)nc1=O	ZINC001419036742	926448200	/nfs/dbraw/zinc/44/82/00/926448200.db2.gz	VCDWNYVMURYCRJ-UHFFFAOYSA-N	-1	1	306.330	-1.983	20	0		DAADMM
CC[C@@H](CNC(=O)CS(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001419181698	926464415	/nfs/dbraw/zinc/46/44/15/926464415.db2.gz	XWGSQDLKRMYYLM-ZETCQYMHSA-N	-1	1	305.360	-1.461	20	0		DAADMM
O=C(NC[C@@H](NCc1n[nH]c(=O)[n-]1)C1CC1)[C@@H]1COCCO1	ZINC001419233071	926468001	/nfs/dbraw/zinc/46/80/01/926468001.db2.gz	IZLIYASMTLENGX-ZJUUUORDSA-N	-1	1	311.342	-1.090	20	0		DAADMM
CS(=O)(=O)CCC(=O)N[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001419408601	926477566	/nfs/dbraw/zinc/47/75/66/926477566.db2.gz	PAGPFQRPNUDOBJ-ZKCHVHJHSA-N	-1	1	317.371	-1.318	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)CNC(=O)[C@H](C)S(C)(=O)=O	ZINC001419485908	926479854	/nfs/dbraw/zinc/47/98/54/926479854.db2.gz	UHYGBRCCONTDNA-YUMQZZPRSA-N	-1	1	319.387	-1.215	20	0		DAADMM
COC[C@@H](NC(=O)CN1CCCS1(=O)=O)c1nn[n-]n1	ZINC001419554080	926485540	/nfs/dbraw/zinc/48/55/40/926485540.db2.gz	NVRLNBOKDDUOKQ-SSDOTTSWSA-N	-1	1	304.332	-1.961	20	0		DAADMM
COC[C@@H](NC(=O)Cn1c(C)cc(C)nc1=O)c1nn[n-]n1	ZINC001419546385	926485660	/nfs/dbraw/zinc/48/56/60/926485660.db2.gz	AXETUZGEPMWUQM-SECBINFHSA-N	-1	1	307.314	-1.123	20	0		DAADMM
CO[C@H](C)C(=O)NC[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CCO1	ZINC001419559305	926486045	/nfs/dbraw/zinc/48/60/45/926486045.db2.gz	YRKAWHCSBYWXQL-NXEZZACHSA-N	-1	1	313.358	-1.540	20	0		DAADMM
CN(CCN(C)C(=O)Cc1ccn(C)n1)Cc1nc(=O)n(C)[n-]1	ZINC001419963966	926512949	/nfs/dbraw/zinc/51/29/49/926512949.db2.gz	HWVHKXVTWPVEJZ-UHFFFAOYSA-N	-1	1	321.385	-1.025	20	0		DAADMM
CNC(=O)NCC(=O)N(C)CCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001419976749	926514066	/nfs/dbraw/zinc/51/40/66/926514066.db2.gz	YNKWKVCQOANHAS-UHFFFAOYSA-N	-1	1	313.362	-2.072	20	0		DAADMM
O=C(CC1CCOCC1)NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001420091960	926521722	/nfs/dbraw/zinc/52/17/22/926521722.db2.gz	BLKKWNSGRJZDFT-JTQLQIEISA-N	-1	1	313.358	-1.106	20	0		DAADMM
CCN(CCNC(=O)C[C@@H]1CCC(=O)N1)Cc1nc(=O)n(C)[n-]1	ZINC001420428876	926591682	/nfs/dbraw/zinc/59/16/82/926591682.db2.gz	YFPXCNYVESEAAM-JTQLQIEISA-N	-1	1	324.385	-1.285	20	0		DAADMM
CCN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)[C@H]1CCNC1=O	ZINC001420437321	926592326	/nfs/dbraw/zinc/59/23/26/926592326.db2.gz	JYLNFERZOVOFBI-QMMMGPOBSA-N	-1	1	312.330	-1.984	20	0		DAADMM
Cc1nnc(CC(=O)N[C@@H](C)CN(C)Cc2nc(=O)n(C)[n-]2)o1	ZINC001420559991	926601957	/nfs/dbraw/zinc/60/19/57/926601957.db2.gz	IRZIFNLYMQATQO-QMMMGPOBSA-N	-1	1	323.357	-1.021	20	0		DAADMM
CC(=O)N1CC(C(=O)N[C@H](C)CN(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001420577788	926603468	/nfs/dbraw/zinc/60/34/68/926603468.db2.gz	SMDIMGMEBVLQKH-SECBINFHSA-N	-1	1	324.385	-1.477	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001420629095	926606193	/nfs/dbraw/zinc/60/61/93/926606193.db2.gz	AAYIQTCDRYEHPD-YIZRAAEISA-N	-1	1	310.358	-1.834	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)C[C@H]1CCC(=O)N1	ZINC001420645355	926606311	/nfs/dbraw/zinc/60/63/11/926606311.db2.gz	XNXOCXKQQINIKB-VHSXEESVSA-N	-1	1	324.385	-1.286	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)C[C@@H]1CCC(=O)N1	ZINC001420645348	926607297	/nfs/dbraw/zinc/60/72/97/926607297.db2.gz	XNXOCXKQQINIKB-UWVGGRQHSA-N	-1	1	324.385	-1.286	20	0		DAADMM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCN(CCO)C1CC1	ZINC001420685041	926610306	/nfs/dbraw/zinc/61/03/06/926610306.db2.gz	IDLNHECLMWJNQB-UHFFFAOYSA-N	-1	1	320.353	-1.356	20	0		DAADMM
Cn1cnc(C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)n1	ZINC001420734524	926612869	/nfs/dbraw/zinc/61/28/69/926612869.db2.gz	HVLQEQCKCRPCQP-QMMMGPOBSA-N	-1	1	306.330	-1.063	20	0		DAADMM
O=C(Cn1cncn1)N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001420780648	926616621	/nfs/dbraw/zinc/61/66/21/926616621.db2.gz	AZDPROJOOOGDOY-SECBINFHSA-N	-1	1	306.330	-1.214	20	0		DAADMM
Cc1nonc1CC(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001420885315	926625855	/nfs/dbraw/zinc/62/58/55/926625855.db2.gz	OWBFJRNAWIHULW-VIFPVBQESA-N	-1	1	321.341	-1.267	20	0		DAADMM
C[C@H](NC(N)=O)C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001421128167	926647725	/nfs/dbraw/zinc/64/77/25/926647725.db2.gz	VTIQXILEIBWHHQ-ZETCQYMHSA-N	-1	1	311.346	-2.287	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)N[C@@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001421199250	926655147	/nfs/dbraw/zinc/65/51/47/926655147.db2.gz	SMHANPBNXHAJON-XPTSAGLGSA-N	-1	1	324.385	-1.286	20	0		DAADMM
CN(C)C(=O)CN1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001421427726	926697747	/nfs/dbraw/zinc/69/77/47/926697747.db2.gz	VLIRSTLFJKWGBJ-UHFFFAOYSA-N	-1	1	308.338	-1.348	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)Cc3cc[nH]n3)C2)nc1=O	ZINC001421428679	926697927	/nfs/dbraw/zinc/69/79/27/926697927.db2.gz	VFUPFYYWFIZZPE-UHFFFAOYSA-N	-1	1	321.341	-2.263	20	0		DAADMM
COCCN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCS(=O)(=O)C1	ZINC001421653152	926743183	/nfs/dbraw/zinc/74/31/83/926743183.db2.gz	YIIGQKUQCHSEPY-SECBINFHSA-N	-1	1	304.372	-1.256	20	0		DAADMM
CCS(=O)(=O)CC(=O)NC[C@H](C)CNCc1n[nH]c(=O)[n-]1	ZINC001421762518	926751736	/nfs/dbraw/zinc/75/17/36/926751736.db2.gz	CFSUEUJMVQMHCC-MRVPVSSYSA-N	-1	1	319.387	-1.213	20	0		DAADMM
CNC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001422056236	926784718	/nfs/dbraw/zinc/78/47/18/926784718.db2.gz	YQFDGHJCFAYRKH-SFYZADRCSA-N	-1	1	311.346	-1.624	20	0		DAADMM
Cc1nnc(CC(=O)N(C)CCN(C)Cc2nc(=O)n(C)[n-]2)o1	ZINC001422155767	926792556	/nfs/dbraw/zinc/79/25/56/926792556.db2.gz	MHHBGIGGWZXTPK-UHFFFAOYSA-N	-1	1	323.357	-1.067	20	0		DAADMM
C[C@@H](CNC(=O)c1cn(C)nn1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001422503360	926879863	/nfs/dbraw/zinc/87/98/63/926879863.db2.gz	LDIFBKYUEVTDGO-QMMMGPOBSA-N	-1	1	308.346	-1.513	20	0		DAADMM
CC(=O)N1CC(C(=O)NC[C@H](C)N(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001422502700	926879902	/nfs/dbraw/zinc/87/99/02/926879902.db2.gz	OPQARPSEZAPJJQ-VIFPVBQESA-N	-1	1	324.385	-1.477	20	0		DAADMM
CCn1nc(C(=O)N[C@@H](C)CNCc2n[nH]c(=O)[n-]2)ccc1=O	ZINC001422715196	926909539	/nfs/dbraw/zinc/90/95/39/926909539.db2.gz	MQRGQMMJDSLVBA-QMMMGPOBSA-N	-1	1	321.341	-1.005	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CCc2nncn2C1	ZINC001422742982	926911832	/nfs/dbraw/zinc/91/18/32/926911832.db2.gz	NZGJLLYIIZKIAU-DTWKUNHWSA-N	-1	1	320.357	-1.041	20	0		DAADMM
NC(=O)NC(=O)CN1CC[C@H]1CNC(=O)c1ncccc1[O-]	ZINC001423078543	926943162	/nfs/dbraw/zinc/94/31/62/926943162.db2.gz	RZZODFKLNSWUNA-QMMMGPOBSA-N	-1	1	307.310	-1.214	20	0		DAADMM
CSC[C@@H](C)C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001423191781	926961013	/nfs/dbraw/zinc/96/10/13/926961013.db2.gz	QWDCTOORKYMHJV-BDAKNGLRSA-N	-1	1	317.415	-1.326	20	0		DAADMM
Cc1cn(C)nc1C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001423209595	926970213	/nfs/dbraw/zinc/97/02/13/926970213.db2.gz	KQOLHXLJIMTUNA-VIFPVBQESA-N	-1	1	323.357	-1.969	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)C2CC3(CC3)C2)nc1=O	ZINC001423267652	927009129	/nfs/dbraw/zinc/00/91/29/927009129.db2.gz	MROQYYZTBVGRAT-SNVBAGLBSA-N	-1	1	309.370	-1.135	20	0		DAADMM
COCC1(C(=O)N(C)C[C@@H](O)CNCc2n[nH]c(=O)[n-]2)CC1	ZINC001423456105	927061820	/nfs/dbraw/zinc/06/18/20/927061820.db2.gz	JXANQCREEWRMML-VIFPVBQESA-N	-1	1	313.358	-1.154	20	0		DAADMM
COCCC(=O)NC[C@@]1(O)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001423734836	927108076	/nfs/dbraw/zinc/10/80/76/927108076.db2.gz	DIVVVGGJKZUALI-ZDUSSCGKSA-N	-1	1	313.358	-1.802	20	0		DAADMM
CO[C@H](C)C(=O)NC[C@]1(O)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001423743771	927110160	/nfs/dbraw/zinc/11/01/60/927110160.db2.gz	DOVONXGQDFEMHL-NOZJJQNGSA-N	-1	1	313.358	-1.804	20	0		DAADMM
CO[C@@H](C)C(=O)NC[C@]1(O)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001423743780	927111970	/nfs/dbraw/zinc/11/19/70/927111970.db2.gz	DOVONXGQDFEMHL-TVQRCGJNSA-N	-1	1	313.358	-1.804	20	0		DAADMM
CO[C@H](C)C(=O)NC[C@@]1(O)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001423743776	927112005	/nfs/dbraw/zinc/11/20/05/927112005.db2.gz	DOVONXGQDFEMHL-RNCFNFMXSA-N	-1	1	313.358	-1.804	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)C(C)(C)F)C2)nc1=O	ZINC001423801699	927133386	/nfs/dbraw/zinc/13/33/86/927133386.db2.gz	UCSXQEYTTVXJCA-UHFFFAOYSA-N	-1	1	301.322	-1.481	20	0		DAADMM
O=C(CN1CCCC1)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001423800039	927134830	/nfs/dbraw/zinc/13/48/30/927134830.db2.gz	JIZPVQXPEBCLHY-CQSZACIVSA-N	-1	1	324.385	-1.341	20	0		DAADMM
C[C@@H](CC[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)[S@](C)=O	ZINC001423811268	927137554	/nfs/dbraw/zinc/13/75/54/927137554.db2.gz	HANCFBAIPJNTLR-IIYDVTGLSA-N	-1	1	323.396	-1.079	20	0		DAADMM
C[C@H](CC[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)[S@@](C)=O	ZINC001423811274	927138381	/nfs/dbraw/zinc/13/83/81/927138381.db2.gz	HANCFBAIPJNTLR-QOLSBQFWSA-N	-1	1	323.396	-1.079	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)[C@H]3CCOC3)C2)nc1=O	ZINC001423817298	927139976	/nfs/dbraw/zinc/13/99/76/927139976.db2.gz	ZKBKNTDTBOOIKU-VIFPVBQESA-N	-1	1	311.342	-2.192	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)CC3(C)CC3)C2)nc1=O	ZINC001423859269	927155668	/nfs/dbraw/zinc/15/56/68/927155668.db2.gz	AGCKNRRWIJFKAM-UHFFFAOYSA-N	-1	1	309.370	-1.039	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)[C@]34C[C@H]3CCC4)C2)nc1=O	ZINC001423866168	927158853	/nfs/dbraw/zinc/15/88/53/927158853.db2.gz	KNDBKJYEYQNKQY-MEBBXXQBSA-N	-1	1	321.381	-1.039	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H](CO)[C@@H]2CCOC2)c(=O)[nH]c1=O	ZINC001423894555	927165280	/nfs/dbraw/zinc/16/52/80/927165280.db2.gz	KUJOKSYLTSPTIS-SFYZADRCSA-N	-1	1	319.339	-1.838	20	0		DAADMM
C[C@H](C[S@](C)=O)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001423954653	927176565	/nfs/dbraw/zinc/17/65/65/927176565.db2.gz	DDWJGMLRJNJCNT-DMWPKQFHSA-N	-1	1	309.369	-1.469	20	0		DAADMM
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]CC(=O)NCC(F)F	ZINC001424000275	927180010	/nfs/dbraw/zinc/18/00/10/927180010.db2.gz	QBVUQJJKEUSLMP-GOSISDBHSA-N	-1	1	322.359	-1.224	20	0		DAADMM
Cn1[n-]c(CN2CCOC[C@H]2CNC(=O)C(F)F)nc1=O	ZINC001424115256	927199105	/nfs/dbraw/zinc/19/91/05/927199105.db2.gz	VEIZBHWZCCBZNN-SSDOTTSWSA-N	-1	1	305.285	-1.310	20	0		DAADMM
CC(C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001424224850	927210677	/nfs/dbraw/zinc/21/06/77/927210677.db2.gz	LTXPGKDKHACRMB-SSDOTTSWSA-N	-1	1	318.355	-1.323	20	0		DAADMM
C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]CC(=O)N=S(C)(C)=O	ZINC001424245631	927213169	/nfs/dbraw/zinc/21/31/69/927213169.db2.gz	BNNSUJLKYQADRG-ZETCQYMHSA-N	-1	1	313.401	-1.363	20	0		DAADMM
NC(=O)[C@]1([N-]S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)CCOC1	ZINC001424304744	927218731	/nfs/dbraw/zinc/21/87/31/927218731.db2.gz	JAHNZVADMMYVMA-SKDRFNHKSA-N	-1	1	317.367	-1.687	20	0		DAADMM
NC(=O)[C@@]1([N-]S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)CCOC1	ZINC001424304729	927219335	/nfs/dbraw/zinc/21/93/35/927219335.db2.gz	JAHNZVADMMYVMA-BXKDBHETSA-N	-1	1	317.367	-1.687	20	0		DAADMM
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H](O)[C@@H]1CCCO1	ZINC001424386087	927229329	/nfs/dbraw/zinc/22/93/29/927229329.db2.gz	WSKUVRNLZGSRGB-VXAXSWHGSA-N	-1	1	315.417	-1.065	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-][C@@H](CO)CN1CCOCC1	ZINC001424503125	927239619	/nfs/dbraw/zinc/23/96/19/927239619.db2.gz	ZLQXDERBAOGOCR-SECBINFHSA-N	-1	1	320.371	-1.463	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-][C@H](CO)CN1CCOCC1	ZINC001424503132	927239925	/nfs/dbraw/zinc/23/99/25/927239925.db2.gz	ZLQXDERBAOGOCR-VIFPVBQESA-N	-1	1	320.371	-1.463	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCN1CCNC1=O	ZINC001424657008	927250292	/nfs/dbraw/zinc/25/02/92/927250292.db2.gz	ZQGXEQUDZOQWQR-UHFFFAOYSA-N	-1	1	317.327	-1.500	20	0		DAADMM
Cc1oncc1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC001424735091	927256741	/nfs/dbraw/zinc/25/67/41/927256741.db2.gz	KGGURHXQYXNVLS-UHFFFAOYSA-N	-1	1	314.323	-1.141	20	0		DAADMM
CCS(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001424860581	927260616	/nfs/dbraw/zinc/26/06/16/927260616.db2.gz	SQRXIKQCVJUKBE-YUMQZZPRSA-N	-1	1	319.387	-1.072	20	0		DAADMM
CCS(=O)(=O)CC(=O)N[C@H](C)[C@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001424860572	927261610	/nfs/dbraw/zinc/26/16/10/927261610.db2.gz	SQRXIKQCVJUKBE-JGVFFNPUSA-N	-1	1	319.387	-1.072	20	0		DAADMM
CC(=O)N(C)CC(=O)NC[C@H](C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001424903082	927262004	/nfs/dbraw/zinc/26/20/04/927262004.db2.gz	SOIYOGACHNRRMA-VIFPVBQESA-N	-1	1	312.374	-1.477	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC[C@@H](O)C2CC2)c(=O)[nH]c1=O	ZINC001424876479	927262836	/nfs/dbraw/zinc/26/28/36/927262836.db2.gz	GZBMCQAIQAJISL-MRVPVSSYSA-N	-1	1	303.340	-1.075	20	0		DAADMM
COC[C@H](OC)C(=O)NC[C@@H](C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001425006033	927269559	/nfs/dbraw/zinc/26/95/59/927269559.db2.gz	OLEGTIZZCLGONI-ZJUUUORDSA-N	-1	1	315.374	-1.294	20	0		DAADMM
C[C@@H](CN(C)C(=O)c1cc(=O)n(C)cn1)NCc1n[nH]c(=O)[n-]1	ZINC001425581635	927396173	/nfs/dbraw/zinc/39/61/73/927396173.db2.gz	RKZZNRQYHLOIEJ-QMMMGPOBSA-N	-1	1	321.341	-1.146	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)c2cnsn2)nc1=O	ZINC001425711026	927405296	/nfs/dbraw/zinc/40/52/96/927405296.db2.gz	JQNSAAWHADCANA-ZCFIWIBFSA-N	-1	1	313.343	-2.160	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)C[C@@H]2CCOC2)nc1=O	ZINC001425731438	927414750	/nfs/dbraw/zinc/41/47/50/927414750.db2.gz	JKMLBWQYYSYZOR-UWVGGRQHSA-N	-1	1	313.358	-1.898	20	0		DAADMM
CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001425974831	927491245	/nfs/dbraw/zinc/49/12/45/927491245.db2.gz	FVNFWMAWAMNJGD-BDAKNGLRSA-N	-1	1	301.347	-1.156	20	0		DAADMM
CCO[C@H](C)C(=O)N(C)C[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001425974839	927491476	/nfs/dbraw/zinc/49/14/76/927491476.db2.gz	FVNFWMAWAMNJGD-RKDXNWHRSA-N	-1	1	301.347	-1.156	20	0		DAADMM
CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001425974837	927492165	/nfs/dbraw/zinc/49/21/65/927492165.db2.gz	FVNFWMAWAMNJGD-IUCAKERBSA-N	-1	1	301.347	-1.156	20	0		DAADMM
Cc1ncn(C)c1C(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001426022859	927508846	/nfs/dbraw/zinc/50/88/46/927508846.db2.gz	VHTQQFQTUQGVBH-VIFPVBQESA-N	-1	1	323.357	-1.225	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@H](O)CN(C)C(=O)C(F)F	ZINC001426065095	927520291	/nfs/dbraw/zinc/52/02/91/927520291.db2.gz	RBEZLTDWOXEPLR-ZETCQYMHSA-N	-1	1	307.301	-1.375	20	0		DAADMM
COCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001426387725	927542289	/nfs/dbraw/zinc/54/22/89/927542289.db2.gz	UNVJLJCSHKIWJI-HTQZYQBOSA-N	-1	1	322.325	-1.313	20	0		DAADMM
C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)Cn1cnnn1	ZINC001430503514	927958423	/nfs/dbraw/zinc/95/84/23/927958423.db2.gz	BKHUXBBYHDRGSQ-QMMMGPOBSA-N	-1	1	305.298	-1.292	20	0		DAADMM
CNC(=O)NCC(=O)NCC1CN(C(=O)c2ncccc2[O-])C1	ZINC001432435786	928149068	/nfs/dbraw/zinc/14/90/68/928149068.db2.gz	KLHLBHLLAIZKIX-UHFFFAOYSA-N	-1	1	321.337	-1.096	20	0		DAADMM
CS(=O)(=O)N1CCN(C(=O)CCCc2nn[n-]n2)CC1	ZINC001433587284	928243105	/nfs/dbraw/zinc/24/31/05/928243105.db2.gz	ADYKBETULKAMHY-UHFFFAOYSA-N	-1	1	302.360	-1.374	20	0		DAADMM
CN(C)S(=O)(=O)CCC(=O)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001433666478	928249235	/nfs/dbraw/zinc/24/92/35/928249235.db2.gz	XYRLUSBHMITOLU-MRVPVSSYSA-N	-1	1	318.359	-1.619	20	0		DAADMM
CN(C)S(=O)(=O)CCC(=O)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001433666480	928250608	/nfs/dbraw/zinc/25/06/08/928250608.db2.gz	XYRLUSBHMITOLU-QMMMGPOBSA-N	-1	1	318.359	-1.619	20	0		DAADMM
NC(=O)NCC(=O)N1CC[C@@H]1CNC(=O)c1ncccc1[O-]	ZINC001433716160	928255134	/nfs/dbraw/zinc/25/51/34/928255134.db2.gz	VWXDHISPNZYIGG-MRVPVSSYSA-N	-1	1	307.310	-1.214	20	0		DAADMM
O=C(Cn1ncnn1)NC[C@H]1CCN1C(=O)c1ncccc1[O-]	ZINC001433725371	928258515	/nfs/dbraw/zinc/25/85/15/928258515.db2.gz	HKPOKWIDQXIQSV-SECBINFHSA-N	-1	1	317.309	-1.195	20	0		DAADMM
O=C(C1=C2CCCN=C2NN1)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001433934140	928282003	/nfs/dbraw/zinc/28/20/03/928282003.db2.gz	AZFRVMFRVFZAML-UHFFFAOYSA-N	-1	1	318.341	-1.436	20	0		DAADMM
CCS(=O)(=O)CC(=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001433938560	928282286	/nfs/dbraw/zinc/28/22/86/928282286.db2.gz	SVLZSAAPKGDLEX-UHFFFAOYSA-N	-1	1	303.344	-1.556	20	0		DAADMM
CS(=O)(=O)CCC(=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001433936541	928282393	/nfs/dbraw/zinc/28/23/93/928282393.db2.gz	IUPHAXQOXGUYHX-UHFFFAOYSA-N	-1	1	303.344	-1.556	20	0		DAADMM
COCCN1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CC1=O	ZINC001433939333	928285224	/nfs/dbraw/zinc/28/52/24/928285224.db2.gz	YYMOSDFPGNCOBX-UHFFFAOYSA-N	-1	1	312.282	-1.215	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(Cc2nnc[nH]2)CC1	ZINC001434150274	928309211	/nfs/dbraw/zinc/30/92/11/928309211.db2.gz	GOIGAFGFQPUIJT-UHFFFAOYSA-N	-1	1	308.302	-1.848	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)C1CS(=O)(=O)C1	ZINC001434249286	928322249	/nfs/dbraw/zinc/32/22/49/928322249.db2.gz	MWCPJNXHGSTOBO-UHFFFAOYSA-N	-1	1	303.296	-1.235	20	0		DAADMM
CN(C)S(=O)(=O)N1CC(NC(=O)CCc2nn[n-]n2)C1	ZINC001434252499	928323226	/nfs/dbraw/zinc/32/32/26/928323226.db2.gz	XHLFOWNWLOJRDM-UHFFFAOYSA-N	-1	1	303.348	-2.261	20	0		DAADMM
CN(C)S(=O)(=O)CCC(=O)N1CC[C@@H](c2nn[n-]n2)C1	ZINC001434315233	928329466	/nfs/dbraw/zinc/32/94/66/928329466.db2.gz	XHAJRINQAAXXKX-MRVPVSSYSA-N	-1	1	302.360	-1.203	20	0		DAADMM
COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)CCCc1nn[n-]n1	ZINC001434406289	928350264	/nfs/dbraw/zinc/35/02/64/928350264.db2.gz	CBUZRIVQRQVKBQ-QMMMGPOBSA-N	-1	1	310.314	-1.635	20	0		DAADMM
Cc1nnc2n1C[C@H](C(=O)N(C)C)N(Cc1nc(=O)n(C)[n-]1)C2	ZINC001434493786	928361102	/nfs/dbraw/zinc/36/11/02/928361102.db2.gz	AXCKJEDWKXZJGN-SECBINFHSA-N	-1	1	320.357	-1.519	20	0		DAADMM
C[C@@H](C[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)S(C)(=O)=O	ZINC001434556840	928362215	/nfs/dbraw/zinc/36/22/15/928362215.db2.gz	LJKDBTYAONNFPT-SKLCBMLGSA-N	-1	1	321.446	-1.172	20	0		DAADMM
CC(C)NC(=O)C[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C	ZINC001434544092	928362318	/nfs/dbraw/zinc/36/23/18/928362318.db2.gz	ZBOZXYIYXFXFRQ-QGZVFWFLSA-N	-1	1	300.406	-1.080	20	0		DAADMM
C[C@@H](C[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)S(C)(=O)=O	ZINC001434556827	928362828	/nfs/dbraw/zinc/36/28/28/928362828.db2.gz	LJKDBTYAONNFPT-BWKAKNAASA-N	-1	1	321.446	-1.172	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCc2ncn(C)n2)[n-]n1	ZINC001434555703	928362908	/nfs/dbraw/zinc/36/29/08/928362908.db2.gz	GONPTPJNCXSVRW-UHFFFAOYSA-N	-1	1	300.300	-1.197	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCc2ncn(C)n2)n[n-]1	ZINC001434555703	928362924	/nfs/dbraw/zinc/36/29/24/928362924.db2.gz	GONPTPJNCXSVRW-UHFFFAOYSA-N	-1	1	300.300	-1.197	20	0		DAADMM
COC[C@](C)(O)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC	ZINC001434547670	928363992	/nfs/dbraw/zinc/36/39/92/928363992.db2.gz	IAJHEOQYPZIIAC-SNVBAGLBSA-N	-1	1	307.328	-1.128	20	0		DAADMM
CCOC(=O)[C@H](CO)[N-]S(=O)(=O)CCN1CCOC1=O	ZINC001434566445	928365869	/nfs/dbraw/zinc/36/58/69/928365869.db2.gz	QNLQGHRHURJMLO-QMMMGPOBSA-N	-1	1	310.328	-1.718	20	0		DAADMM
CC(=O)C1([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1	ZINC001434575575	928367753	/nfs/dbraw/zinc/36/77/53/928367753.db2.gz	JGFUBHVKIKWLGG-UHFFFAOYSA-N	-1	1	301.324	-1.516	20	0		DAADMM
C[C@@H]1C[C@@H]1C(=O)NCCN1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001436697131	928402826	/nfs/dbraw/zinc/40/28/26/928402826.db2.gz	SBZHTDPSXOVWJU-NEPJUHHUSA-N	-1	1	322.413	-1.002	20	0		DAADMM
CNC(=O)CN1CCN(CCNC(=O)c2ncccc2[O-])CC1	ZINC001436704337	928404940	/nfs/dbraw/zinc/40/49/40/928404940.db2.gz	NEEJNYHMLLWCQN-UHFFFAOYSA-N	-1	1	321.381	-1.119	20	0		DAADMM
COC[C@H](OC)C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001436731070	928408114	/nfs/dbraw/zinc/40/81/14/928408114.db2.gz	OZDOCDMLNONYAH-ZJUUUORDSA-N	-1	1	313.358	-1.540	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)CCNC(N)=O)C2)nc1=O	ZINC001436746581	928411170	/nfs/dbraw/zinc/41/11/70/928411170.db2.gz	SNKGQHBCCDTUFT-QMMMGPOBSA-N	-1	1	311.346	-2.143	20	0		DAADMM
CCS(=O)(=O)CC(=O)NCC[C@@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001437427569	928449005	/nfs/dbraw/zinc/44/90/05/928449005.db2.gz	LQLRUMYMDYIWDL-MRVPVSSYSA-N	-1	1	319.387	-1.071	20	0		DAADMM
CN(CCNC(=O)CCn1ccnn1)Cc1nc(=O)n(C)[n-]1	ZINC001437454797	928453001	/nfs/dbraw/zinc/45/30/01/928453001.db2.gz	PJJKNNARMTZSDQ-UHFFFAOYSA-N	-1	1	308.346	-1.662	20	0		DAADMM
CCN(CCNC(=O)C[C@@H]1CCNC1=O)Cc1nc(=O)n(C)[n-]1	ZINC001437598162	928464487	/nfs/dbraw/zinc/46/44/87/928464487.db2.gz	MNPGHHCNLHVGRP-JTQLQIEISA-N	-1	1	324.385	-1.427	20	0		DAADMM
CCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[n-]1	ZINC001438170940	928504045	/nfs/dbraw/zinc/50/40/45/928504045.db2.gz	WZOXENCEMJFEOM-UWVGGRQHSA-N	-1	1	322.369	-1.580	20	0		DAADMM
CN(CCN(C)C(=O)Cc1nnc[nH]1)Cc1nc(=O)n(C)[n-]1	ZINC001438919609	928541706	/nfs/dbraw/zinc/54/17/06/928541706.db2.gz	AUBBKYOFLFNQAN-UHFFFAOYSA-N	-1	1	308.346	-1.641	20	0		DAADMM
O=C(NC[C@H](O)CNCc1n[nH]c(=O)[n-]1)c1cncc(F)c1	ZINC001438980709	928553881	/nfs/dbraw/zinc/55/38/81/928553881.db2.gz	NMFUENLSFFSDNE-SECBINFHSA-N	-1	1	310.289	-1.075	20	0		DAADMM
CCOC1CC(C(=O)NC[C@@H](O)CNCc2n[nH]c(=O)[n-]2)C1	ZINC001438983372	928556974	/nfs/dbraw/zinc/55/69/74/928556974.db2.gz	MDNITNXKDZWMCG-KYHHOPLUSA-N	-1	1	313.358	-1.108	20	0		DAADMM
CC[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001439009275	928571551	/nfs/dbraw/zinc/57/15/51/928571551.db2.gz	FJXWRQZQIGFIAI-BBBLOLIVSA-N	-1	1	313.358	-1.108	20	0		DAADMM
COCC1(C(=O)NC[C@@H](O)CNCc2n[nH]c(=O)[n-]2)CCC1	ZINC001439013540	928574088	/nfs/dbraw/zinc/57/40/88/928574088.db2.gz	LPLSKVWPISSDKI-VIFPVBQESA-N	-1	1	313.358	-1.106	20	0		DAADMM
C[C@@H](CNCc1ccn(C)n1)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001439227113	928608300	/nfs/dbraw/zinc/60/83/00/928608300.db2.gz	DYPSZXPBYAJRFC-ZETCQYMHSA-N	-1	1	307.314	-1.076	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@H]1CCC(=O)N1	ZINC001439314415	928613395	/nfs/dbraw/zinc/61/33/95/928613395.db2.gz	QRGYWTNDUTYQDW-DTWKUNHWSA-N	-1	1	310.358	-1.677	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@H](C)NC(N)=O	ZINC001439314533	928613584	/nfs/dbraw/zinc/61/35/84/928613584.db2.gz	GMLFRNWEXNASIY-SFYZADRCSA-N	-1	1	313.362	-1.898	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)Cc2ncc[nH]2)nc1=O	ZINC001439559577	928630902	/nfs/dbraw/zinc/63/09/02/928630902.db2.gz	MAIWQHGHGBLIKV-SECBINFHSA-N	-1	1	305.342	-1.235	20	0		DAADMM
CCC(=O)N[C@H](C)C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001439727909	928638826	/nfs/dbraw/zinc/63/88/26/928638826.db2.gz	YMKGZNJULSUTGT-SECBINFHSA-N	-1	1	324.385	-1.334	20	0		DAADMM
C[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001440586928	928733460	/nfs/dbraw/zinc/73/34/60/928733460.db2.gz	FYJFIZOPPIKIRQ-SCZZXKLOSA-N	-1	1	322.369	-1.027	20	0		DAADMM
CC(=O)NCC(=O)N1CCC[C@@H]1CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001440731081	928740803	/nfs/dbraw/zinc/74/08/03/928740803.db2.gz	QFMFNBJZWLDXFD-LLVKDONJSA-N	-1	1	324.385	-1.333	20	0		DAADMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H](C)NC(=O)C1CS(=O)(=O)C1	ZINC001440818119	928745778	/nfs/dbraw/zinc/74/57/78/928745778.db2.gz	ZRLLRFHDRSUFKL-RNFRBKRXSA-N	-1	1	317.371	-1.462	20	0		DAADMM
C[C@H](CNC(=O)CCNC(N)=O)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001441010946	928754844	/nfs/dbraw/zinc/75/48/44/928754844.db2.gz	RPFFWXJZWDJNBC-MRVPVSSYSA-N	-1	1	313.362	-1.897	20	0		DAADMM
Cn1[n-]c(CN2CC(CCO)(NC(=O)c3cn[nH]c3)C2)nc1=O	ZINC001441036062	928756956	/nfs/dbraw/zinc/75/69/56/928756956.db2.gz	MKIKEBIGMZOEGH-UHFFFAOYSA-N	-1	1	321.341	-1.802	20	0		DAADMM
C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)NCc1n[nH]c(=O)[n-]1	ZINC001441526578	928794172	/nfs/dbraw/zinc/79/41/72/928794172.db2.gz	ULCOGIDKRRDNSA-RKDXNWHRSA-N	-1	1	310.358	-1.075	20	0		DAADMM
Cc1ccc(CC(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)o1	ZINC001441691775	928818067	/nfs/dbraw/zinc/81/80/67/928818067.db2.gz	CQDBOUJJCSXUGB-SNVBAGLBSA-N	-1	1	323.353	-1.181	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)[C@]2(F)CCOC2)nc1=O	ZINC001441737013	928845572	/nfs/dbraw/zinc/84/55/72/928845572.db2.gz	DZBVVQXOVBUEGK-UFBFGSQYSA-N	-1	1	317.321	-2.196	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)[C@]2(F)CCOC2)nc1=O	ZINC001441737006	928846955	/nfs/dbraw/zinc/84/69/55/928846955.db2.gz	DZBVVQXOVBUEGK-PELKAZGASA-N	-1	1	317.321	-2.196	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)[C@@]2(F)CCOC2)nc1=O	ZINC001441737009	928847002	/nfs/dbraw/zinc/84/70/02/928847002.db2.gz	DZBVVQXOVBUEGK-QPUJVOFHSA-N	-1	1	317.321	-2.196	20	0		DAADMM
C[C@@H](CNC(=O)CCS(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001441850903	928875631	/nfs/dbraw/zinc/87/56/31/928875631.db2.gz	DXTRZDOJQMFTEA-ZETCQYMHSA-N	-1	1	305.360	-1.461	20	0		DAADMM
CO[C@H](C(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001442001422	928905709	/nfs/dbraw/zinc/90/57/09/928905709.db2.gz	TUQCBWGOXHAXCA-ONGXEEELSA-N	-1	1	313.358	-1.156	20	0		DAADMM
C[C@H](CNC(=O)[C@H]1CCCS1(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001442057273	928919646	/nfs/dbraw/zinc/91/96/46/928919646.db2.gz	VDVLFTMXKQUSII-HTQZYQBOSA-N	-1	1	317.371	-1.318	20	0		DAADMM
COCC(=O)N(C)C[C@H](O)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001442056839	928921377	/nfs/dbraw/zinc/92/13/77/928921377.db2.gz	IXLHEGAPUMBDTF-SECBINFHSA-N	-1	1	301.347	-1.994	20	0		DAADMM
COCCN(CCNC(=O)c1ccn[nH]1)Cc1nc(=O)n(C)[n-]1	ZINC001442172294	928933549	/nfs/dbraw/zinc/93/35/49/928933549.db2.gz	UOIQWTRBMCTUHE-UHFFFAOYSA-N	-1	1	323.357	-1.290	20	0		DAADMM
COCCN(CCNC(=O)c1cnco1)Cc1nc(=O)n(C)[n-]1	ZINC001442184778	928935071	/nfs/dbraw/zinc/93/50/71/928935071.db2.gz	AUNLTRLZSCGZEN-UHFFFAOYSA-N	-1	1	324.341	-1.025	20	0		DAADMM
CCN(CCNC(=O)Cc1nonc1C)Cc1nc(=O)n(C)[n-]1	ZINC001442720698	928964386	/nfs/dbraw/zinc/96/43/86/928964386.db2.gz	MITMZTKSDKXOGA-UHFFFAOYSA-N	-1	1	323.357	-1.019	20	0		DAADMM
O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001443448674	929004312	/nfs/dbraw/zinc/00/43/12/929004312.db2.gz	KQVMVVGOEMUYHE-DTWKUNHWSA-N	-1	1	315.355	-1.076	20	0		DAADMM
CC[C@@H](NC(C)=O)C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001443515498	929010613	/nfs/dbraw/zinc/01/06/13/929010613.db2.gz	XNGVTQPGUXBYEC-SNVBAGLBSA-N	-1	1	310.358	-1.677	20	0		DAADMM
C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[n-]1	ZINC001443680047	929021227	/nfs/dbraw/zinc/02/12/27/929021227.db2.gz	ZJQZYJVRHKVTPH-CIUDSAMLSA-N	-1	1	323.357	-2.050	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[n-]1	ZINC001443662734	929022088	/nfs/dbraw/zinc/02/20/88/929022088.db2.gz	KMIGEKSHTPGWGB-UTLUCORTSA-N	-1	1	322.369	-1.595	20	0		DAADMM
CN1CCN(C)[C@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001443895569	929033812	/nfs/dbraw/zinc/03/38/12/929033812.db2.gz	IVGSKVBZMMCKFT-SNVBAGLBSA-N	-1	1	304.354	-1.002	20	0		DAADMM
O=C(Cn1cccn1)N[C@H](CO)CNC(=O)c1ncccc1[O-]	ZINC001444170180	929074875	/nfs/dbraw/zinc/07/48/75/929074875.db2.gz	YGHXGXFKXOSMON-JTQLQIEISA-N	-1	1	319.321	-1.109	20	0		DAADMM
O=C(Nc1nnn[n-]1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	ZINC001444624641	929136588	/nfs/dbraw/zinc/13/65/88/929136588.db2.gz	PZCSJPKXQPYYAO-RNFRBKRXSA-N	-1	1	314.327	-1.826	20	0		DAADMM
O=C(Nc1nn[n-]n1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	ZINC001444624641	929136592	/nfs/dbraw/zinc/13/65/92/929136592.db2.gz	PZCSJPKXQPYYAO-RNFRBKRXSA-N	-1	1	314.327	-1.826	20	0		DAADMM
CN(CCN(C)C(=O)Cc1cnn(C)c1)Cc1nc(=O)n(C)[n-]1	ZINC001444977841	929159388	/nfs/dbraw/zinc/15/93/88/929159388.db2.gz	YBKTWHHKPSAPED-UHFFFAOYSA-N	-1	1	321.385	-1.025	20	0		DAADMM
CN(CCN(C)C(=O)[C@H]1CCC(=O)N1C)Cc1nc(=O)n(C)[n-]1	ZINC001445024684	929162217	/nfs/dbraw/zinc/16/22/17/929162217.db2.gz	PXOJBSHRXIJSCZ-SNVBAGLBSA-N	-1	1	324.385	-1.381	20	0		DAADMM
CC(C)(C)OCC(=O)NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001445151751	929168663	/nfs/dbraw/zinc/16/86/63/929168663.db2.gz	PJVNCUVXQGOVEZ-QMMMGPOBSA-N	-1	1	301.347	-1.108	20	0		DAADMM
CN1CCO[C@@H](C(=O)NC[C@@H](O)CNCc2n[nH]c(=O)[n-]2)C1	ZINC001445164497	929174578	/nfs/dbraw/zinc/17/45/78/929174578.db2.gz	VVDVOHQIGZHNME-DTWKUNHWSA-N	-1	1	314.346	-2.592	20	0		DAADMM
CCN1C(=O)[C@H]2CN(C(=O)CCc3nn[n-]n3)CCN2C1=O	ZINC001445401635	929219692	/nfs/dbraw/zinc/21/96/92/929219692.db2.gz	YGWOIWJFDZBISA-MRVPVSSYSA-N	-1	1	307.314	-1.373	20	0		DAADMM
CCN1CCOC[C@@H]1C(=O)N[C@@H](C)CNCc1n[nH]c(=O)[n-]1	ZINC001445573702	929236813	/nfs/dbraw/zinc/23/68/13/929236813.db2.gz	VPRKUUXKEVMOEE-VHSXEESVSA-N	-1	1	312.374	-1.175	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1c[nH]c(=O)cn1	ZINC001445820337	929260772	/nfs/dbraw/zinc/26/07/72/929260772.db2.gz	TZPBZYBCBKKVOI-QMMMGPOBSA-N	-1	1	321.341	-1.558	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)C[C@@H]2COC(=O)C2)nc1=O	ZINC001446029178	929269094	/nfs/dbraw/zinc/26/90/94/929269094.db2.gz	AFPSDPZYWPCDNO-UWVGGRQHSA-N	-1	1	323.353	-1.248	20	0		DAADMM
COC(=O)NCC(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001446042432	929269731	/nfs/dbraw/zinc/26/97/31/929269731.db2.gz	RAXCTPPECRAOFK-QMMMGPOBSA-N	-1	1	312.330	-1.845	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](C)(NC(=O)Cn3cncn3)C2)nc1=O	ZINC001446558501	929299859	/nfs/dbraw/zinc/29/98/59/929299859.db2.gz	JWQXHHHCZGGBNO-CYBMUJFWSA-N	-1	1	320.357	-1.519	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](O)(CNC(=O)CCCF)C2)nc1=O	ZINC001446773987	929318587	/nfs/dbraw/zinc/31/85/87/929318587.db2.gz	OZWJWKCNFDEHSQ-CYBMUJFWSA-N	-1	1	315.349	-1.089	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)c3ccns3)C2)nc1=O	ZINC001446859488	929343423	/nfs/dbraw/zinc/34/34/23/929343423.db2.gz	VHYMDPZYJYCOGA-UHFFFAOYSA-N	-1	1	324.366	-1.458	20	0		DAADMM
COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CNC(=O)c1ncccc1[O-]	ZINC001446919817	929353038	/nfs/dbraw/zinc/35/30/38/929353038.db2.gz	WVCKCKQDMKSCJS-BDAKNGLRSA-N	-1	1	323.305	-1.348	20	0		DAADMM
CCC(=O)NCC(=O)NC[C@H](C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001447993946	929422616	/nfs/dbraw/zinc/42/26/16/929422616.db2.gz	LQIFMTSZXDDQKP-VIFPVBQESA-N	-1	1	312.374	-1.429	20	0		DAADMM
C[C@H](C(=O)N1CCC(O)(c2nn[n-]n2)CC1)N1C(=O)CCC1=O	ZINC001448340146	929450004	/nfs/dbraw/zinc/45/00/04/929450004.db2.gz	BELYQEVJZKTUMI-MRVPVSSYSA-N	-1	1	322.325	-1.453	20	0		DAADMM
O=C(CCCc1nn[n-]n1)N1CCC[C@]2(C1)NC(=O)NC2=O	ZINC001448797212	929473701	/nfs/dbraw/zinc/47/37/01/929473701.db2.gz	UHPUMQCNMGENSH-GFCCVEGCSA-N	-1	1	307.314	-1.277	20	0		DAADMM
CC[C@H](OC)C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001448823912	929481778	/nfs/dbraw/zinc/48/17/78/929481778.db2.gz	JLYJUKZBJAEUFD-IUCAKERBSA-N	-1	1	301.347	-1.900	20	0		DAADMM
CC[C@H](OC)C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001448823902	929482289	/nfs/dbraw/zinc/48/22/89/929482289.db2.gz	JLYJUKZBJAEUFD-BDAKNGLRSA-N	-1	1	301.347	-1.900	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)Cc2cccnc2)nc1=O	ZINC001448842793	929492520	/nfs/dbraw/zinc/49/25/20/929492520.db2.gz	SSLYDGIHIDGMQN-LLVKDONJSA-N	-1	1	320.353	-1.687	20	0		DAADMM
Cc1n[nH]c(C(=O)NC[C@@H](CO)N[C@H](C)C(=O)N(C)C)c1[O-]	ZINC001448848023	929495715	/nfs/dbraw/zinc/49/57/15/929495715.db2.gz	YZGXLVIUIAGRSG-BDAKNGLRSA-N	-1	1	313.358	-1.419	20	0		DAADMM
Cc1n[nH]c(C(=O)NC[C@H](CO)N[C@@H](C)C(=O)N(C)C)c1[O-]	ZINC001448848028	929495823	/nfs/dbraw/zinc/49/58/23/929495823.db2.gz	YZGXLVIUIAGRSG-DTWKUNHWSA-N	-1	1	313.358	-1.419	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)nc1=O	ZINC001448894850	929511343	/nfs/dbraw/zinc/51/13/43/929511343.db2.gz	MGIGBPFNNOEIEW-WYOJIJJFSA-N	-1	1	311.342	-2.433	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)c2ccnnc2)nc1=O	ZINC001448899554	929512115	/nfs/dbraw/zinc/51/21/15/929512115.db2.gz	GTZPYCRIHXIVDB-SECBINFHSA-N	-1	1	307.314	-2.221	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)[C@@H]2C[C@H]2C2CC2)nc1=O	ZINC001448927001	929518562	/nfs/dbraw/zinc/51/85/62/929518562.db2.gz	PFRDMFKSBFUIQQ-GARJFASQSA-N	-1	1	309.370	-1.279	20	0		DAADMM
CC(=O)NCC(=O)N[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C	ZINC001449029187	929531966	/nfs/dbraw/zinc/53/19/66/929531966.db2.gz	OTBTZGWOBNAWCM-MWLCHTKSSA-N	-1	1	324.385	-1.286	20	0		DAADMM
C[C@@H](C(=O)N(C)C[C@H](O)CNCc1n[nH]c(=O)[n-]1)n1cccn1	ZINC001449097727	929539084	/nfs/dbraw/zinc/53/90/84/929539084.db2.gz	VBZKQOYZVODZIT-VHSXEESVSA-N	-1	1	323.357	-1.123	20	0		DAADMM
C[C@H](C(=O)N(C)C[C@H](O)CNCc1n[nH]c(=O)[n-]1)n1cccn1	ZINC001449097714	929540084	/nfs/dbraw/zinc/54/00/84/929540084.db2.gz	VBZKQOYZVODZIT-NXEZZACHSA-N	-1	1	323.357	-1.123	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@H](O)CN(C)C(=O)c1ccon1	ZINC001449198661	929565349	/nfs/dbraw/zinc/56/53/49/929565349.db2.gz	LRDYTQSOYQBSIM-VIFPVBQESA-N	-1	1	324.341	-1.339	20	0		DAADMM
CC[C@@H](CNS(C)(=O)=O)NC(=O)CCCc1nn[n-]n1	ZINC001449789572	929595591	/nfs/dbraw/zinc/59/55/91/929595591.db2.gz	QYNWTBNZWLJVNE-QMMMGPOBSA-N	-1	1	304.376	-1.034	20	0		DAADMM
NC(=O)NCCC(=O)N1CC(NC(=O)c2ncccc2[O-])C1	ZINC001450321487	929623192	/nfs/dbraw/zinc/62/31/92/929623192.db2.gz	QSYWLVUJIFRLCX-UHFFFAOYSA-N	-1	1	307.310	-1.214	20	0		DAADMM
C[C@@H](CNC(=O)Cn1cnnn1)CNC(=O)c1ncccc1[O-]	ZINC001532096074	929891269	/nfs/dbraw/zinc/89/12/69/929891269.db2.gz	MSLITJKMSZDAMS-VIFPVBQESA-N	-1	1	319.325	-1.044	20	0		DAADMM
C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC001548690972	930037888	/nfs/dbraw/zinc/03/78/88/930037888.db2.gz	JPMPXKJXGOTNBZ-VHSXEESVSA-N	-1	1	318.399	-2.043	20	0		DAADMM
C[C@H]1CN2CCN1C[C@@H]2C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC001548690972	930037896	/nfs/dbraw/zinc/03/78/96/930037896.db2.gz	JPMPXKJXGOTNBZ-VHSXEESVSA-N	-1	1	318.399	-2.043	20	0		DAADMM
O=C(/C=C/CN1CCOCC1)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001556348760	930078928	/nfs/dbraw/zinc/07/89/28/930078928.db2.gz	ZCNDUWIROKNOSQ-OWOJBTEDSA-N	-1	1	322.369	-1.102	20	0		DAADMM
CNC(=O)NC1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC001557021654	930082343	/nfs/dbraw/zinc/08/23/43/930082343.db2.gz	MLSVHTPEUTYUSO-UHFFFAOYSA-N	-1	1	323.353	-1.153	20	0		DAADMM
CN(C)C(=O)[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001557013297	930082881	/nfs/dbraw/zinc/08/28/81/930082881.db2.gz	GGHLGXCECRLELW-JTQLQIEISA-N	-1	1	308.338	-1.137	20	0		DAADMM
CN=[S@@](C)(=O)CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001557675097	930084775	/nfs/dbraw/zinc/08/47/75/930084775.db2.gz	CRTDGOFCHIJDOW-FQEVSTJZSA-N	-1	1	302.356	-1.230	20	0		DAADMM
COc1nscc1S(=O)(=O)[N-]CCNS(C)(=O)=O	ZINC001561229992	930092201	/nfs/dbraw/zinc/09/22/01/930092201.db2.gz	PPYNVVHZICAUOB-UHFFFAOYSA-N	-1	1	315.398	-1.021	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H](C)C(=O)N(C)OC)[n-]n1	ZINC001561802314	930093487	/nfs/dbraw/zinc/09/34/87/930093487.db2.gz	SAVHGTREQZYFGU-ZCFIWIBFSA-N	-1	1	320.327	-1.117	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@H](C)C(=O)N(C)OC)n[n-]1	ZINC001561802314	930093493	/nfs/dbraw/zinc/09/34/93/930093493.db2.gz	SAVHGTREQZYFGU-ZCFIWIBFSA-N	-1	1	320.327	-1.117	20	0		DAADMM
COCCN1CC[C@H](NC(=O)C(=O)N(C)CCC(=O)[O-])C1	ZINC001611012111	970845891	/nfs/dbraw/zinc/84/58/91/970845891.db2.gz	DWVVYYATCGWZJY-JTQLQIEISA-N	-1	1	301.343	-1.244	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)NCCNc1nccnc1-c1nnn[n-]1	ZINC001573484438	946217595	/nfs/dbraw/zinc/21/75/95/946217595.db2.gz	LNKZWTFRJXAPKW-SSDOTTSWSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)NCCNc1nccnc1-c1nn[n-]n1	ZINC001573484438	946217604	/nfs/dbraw/zinc/21/76/04/946217604.db2.gz	LNKZWTFRJXAPKW-SSDOTTSWSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)N[C@@H]1CCN(C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)C1	ZINC001573496681	946326272	/nfs/dbraw/zinc/32/62/72/946326272.db2.gz	ACAJVEVQLZYELH-VXNVDRBHSA-N	-1	1	319.329	-1.244	20	0		DAADMM
CC(=O)N[C@@H]1CCN(C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)C1	ZINC001573496680	946326707	/nfs/dbraw/zinc/32/67/07/946326707.db2.gz	ACAJVEVQLZYELH-IONNQARKSA-N	-1	1	319.329	-1.244	20	0		DAADMM
CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O	ZINC001573497749	946354322	/nfs/dbraw/zinc/35/43/22/946354322.db2.gz	WJIRNSMOHNVYNN-PSASIEDQSA-N	-1	1	304.314	-1.268	20	0		DAADMM
CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O	ZINC001573497749	946354330	/nfs/dbraw/zinc/35/43/30/946354330.db2.gz	WJIRNSMOHNVYNN-PSASIEDQSA-N	-1	1	304.314	-1.268	20	0		DAADMM
CC(=O)NCC(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1	ZINC001573499919	946372197	/nfs/dbraw/zinc/37/21/97/946372197.db2.gz	HGXGUYTWPXGYQA-UHFFFAOYSA-N	-1	1	319.329	-1.915	20	0		DAADMM
CC(=O)NCC(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1	ZINC001573501911	946381554	/nfs/dbraw/zinc/38/15/54/946381554.db2.gz	SJPSWSNTSNVUOB-UHFFFAOYSA-N	-1	1	319.329	-1.337	20	0		DAADMM
CC(=O)NCC(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1	ZINC001573501911	946381565	/nfs/dbraw/zinc/38/15/65/946381565.db2.gz	SJPSWSNTSNVUOB-UHFFFAOYSA-N	-1	1	319.329	-1.337	20	0		DAADMM
CC(=O)NCC(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1	ZINC001573515479	946546280	/nfs/dbraw/zinc/54/62/80/946546280.db2.gz	MXRJJINSUAXJLI-ZETCQYMHSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1	ZINC001573515479	946546284	/nfs/dbraw/zinc/54/62/84/946546284.db2.gz	MXRJJINSUAXJLI-ZETCQYMHSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)NC[C@@H](C)Nc1nccnc1-c1nnn[n-]1	ZINC001573516391	946562822	/nfs/dbraw/zinc/56/28/22/946562822.db2.gz	YOMMMBNWZLORSN-SSDOTTSWSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)NC[C@@H](C)Nc1nccnc1-c1nn[n-]n1	ZINC001573516391	946562826	/nfs/dbraw/zinc/56/28/26/946562826.db2.gz	YOMMMBNWZLORSN-SSDOTTSWSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1	ZINC001573521946	946618321	/nfs/dbraw/zinc/61/83/21/946618321.db2.gz	PUJLYZTYEJBBJF-ZETCQYMHSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1	ZINC001573521946	946618334	/nfs/dbraw/zinc/61/83/34/946618334.db2.gz	PUJLYZTYEJBBJF-ZETCQYMHSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCCN1CCN(c2nccnc2-c2nnn[n-]2)CC1	ZINC001573529502	946675399	/nfs/dbraw/zinc/67/53/99/946675399.db2.gz	NDXSSURKDZOMSR-UHFFFAOYSA-N	-1	1	317.357	-1.085	20	0		DAADMM
CC(=O)NCCN1CCN(c2nccnc2-c2nn[n-]n2)CC1	ZINC001573529502	946675408	/nfs/dbraw/zinc/67/54/08/946675408.db2.gz	NDXSSURKDZOMSR-UHFFFAOYSA-N	-1	1	317.357	-1.085	20	0		DAADMM
C[C@@H](C(=O)N1CCO[C@@H](C(N)=O)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573640524	947852093	/nfs/dbraw/zinc/85/20/93/947852093.db2.gz	HZNVRQOHMFUUDO-NKWVEPMBSA-N	-1	1	321.301	-2.268	20	0		DAADMM
C[C@H](C(=O)N1CCO[C@H](C(N)=O)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573640530	947852401	/nfs/dbraw/zinc/85/24/01/947852401.db2.gz	HZNVRQOHMFUUDO-RQJHMYQMSA-N	-1	1	321.301	-2.268	20	0		DAADMM
C[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(N)=O)n1cnc(-c2nn[n-]n2)n1	ZINC001573650645	947910241	/nfs/dbraw/zinc/91/02/41/947910241.db2.gz	CPHQSLMETJFBCE-XVMARJQXSA-N	-1	1	321.301	-2.534	20	0		DAADMM
C[C@@H](C(=O)N[C@@]1(C(N)=O)CCOC1)n1cnc(-c2nn[n-]n2)n1	ZINC001573656511	947989703	/nfs/dbraw/zinc/98/97/03/947989703.db2.gz	HHDWOLIZRFFZCL-KGFZYKRKSA-N	-1	1	321.301	-2.220	20	0		DAADMM
C[C@@H](C(=O)NC1(CO)CCOCC1)n1cnc(-c2nn[n-]n2)n1	ZINC001573663756	948040734	/nfs/dbraw/zinc/04/07/34/948040734.db2.gz	PJCVCUFTFDHLOD-QMMMGPOBSA-N	-1	1	322.329	-1.323	20	0		DAADMM
C[C@H](C(=O)N[C@H]1C(=O)NCC1(C)C)n1cnc(-c2nn[n-]n2)n1	ZINC001573664372	948052532	/nfs/dbraw/zinc/05/25/32/948052532.db2.gz	UTXOAEYGVJCBLC-RQJHMYQMSA-N	-1	1	319.329	-1.340	20	0		DAADMM
C[C@H](C(=O)N[C@@H]1CCN(C(N)=O)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573674624	948119214	/nfs/dbraw/zinc/11/92/14/948119214.db2.gz	OOWGSPDCPGUFMQ-RNFRBKRXSA-N	-1	1	320.317	-1.712	20	0		DAADMM
C[C@@H](C(=O)N[C@@H]1CC[C@@H](O)[C@@H](O)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573676129	948125118	/nfs/dbraw/zinc/12/51/18/948125118.db2.gz	RSWMFOZIATYAHP-KDXUFGMBSA-N	-1	1	322.329	-1.590	20	0		DAADMM
CC(=O)NCCN(CCS(=O)(=O)N(C)C)[C@@H](C)C(=O)[O-]	ZINC001602758376	971476715	/nfs/dbraw/zinc/47/67/15/971476715.db2.gz	FXVQHDZGBKTWRD-VIFPVBQESA-N	-1	1	309.388	-1.211	20	0		DAADMM
C[C@@H](C(=O)NCCC[S@](C)=O)n1cnc(-c2nn[n-]n2)n1	ZINC001573713762	948467500	/nfs/dbraw/zinc/46/75/00/948467500.db2.gz	BJNDUWQEBHSVSY-SGWXMTNESA-N	-1	1	312.359	-1.096	20	0		DAADMM
C[C@@H](C(=O)NCCc1nncn1C)n1cnc(-c2nn[n-]n2)n1	ZINC001573716045	948496724	/nfs/dbraw/zinc/49/67/24/948496724.db2.gz	CJHBEZUCPSJFGG-ZETCQYMHSA-N	-1	1	317.317	-1.493	20	0		DAADMM
C[C@H](C(=O)NCC1N=NC(=O)N1C)n1cnc(-c2nn[n-]n2)n1	ZINC001573727682	948555399	/nfs/dbraw/zinc/55/53/99/948555399.db2.gz	BOTFFIKBZRANPP-RXMQYKEDSA-N	-1	1	319.289	-1.830	20	0		DAADMM
C[C@@H](C(=O)NCc1cncnc1N)n1cnc(-c2nn[n-]n2)n1	ZINC001573729134	948565741	/nfs/dbraw/zinc/56/57/41/948565741.db2.gz	HGVXLTQZAPFSEP-LURJTMIESA-N	-1	1	315.301	-1.292	20	0		DAADMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)NC1(c2nc[nH]n2)CCC1	ZINC001570918217	948569541	/nfs/dbraw/zinc/56/95/41/948569541.db2.gz	BCEXTIJATNBXDM-UHFFFAOYSA-N	-1	1	315.301	-1.228	20	0		DAADMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCn1cnccc1=O	ZINC001570918278	948570934	/nfs/dbraw/zinc/57/09/34/948570934.db2.gz	NNKDXCQLGQVGQC-UHFFFAOYSA-N	-1	1	316.285	-2.169	20	0		DAADMM
Cc1[nH]nc(NC(=O)c2nc3n(n2)CCCN3)c1-c1nn[n-]n1	ZINC001570918974	948582635	/nfs/dbraw/zinc/58/26/35/948582635.db2.gz	MUBRIOHXFAUPHV-UHFFFAOYSA-N	-1	1	315.301	-1.185	20	0		DAADMM
C[C@@H](C(=O)NCc1nccc(N)n1)n1cnc(-c2nn[n-]n2)n1	ZINC001573730589	948582782	/nfs/dbraw/zinc/58/27/82/948582782.db2.gz	RUSZBERLGXGMRS-LURJTMIESA-N	-1	1	315.301	-1.292	20	0		DAADMM
Cc1c(-c2nn[n-]n2)c(=O)n(Cc2nc[nH]n2)c(=O)n1C1CC1	ZINC001570919502	948588912	/nfs/dbraw/zinc/58/89/12/948588912.db2.gz	WBNIIVDSIIAEHH-UHFFFAOYSA-N	-1	1	315.297	-1.000	20	0		DAADMM
C[C@H](C(=O)NCc1ccc(=O)[nH]n1)n1cnc(-c2nn[n-]n2)n1	ZINC001573731375	948590869	/nfs/dbraw/zinc/59/08/69/948590869.db2.gz	WHASIVQIASWYBR-ZCFIWIBFSA-N	-1	1	316.285	-1.169	20	0		DAADMM
C[C@H](C(=O)N[C@@H](CO)c1ncc[nH]1)n1cnc(-c2nn[n-]n2)n1	ZINC001570921439	948619840	/nfs/dbraw/zinc/61/98/40/948619840.db2.gz	AJEIPKCMLCSYTE-RQJHMYQMSA-N	-1	1	318.301	-1.408	20	0		DAADMM
C[C@H](C(=O)N[C@H](CO)c1ncc[nH]1)n1cnc(-c2nn[n-]n2)n1	ZINC001570921438	948620183	/nfs/dbraw/zinc/62/01/83/948620183.db2.gz	AJEIPKCMLCSYTE-RNFRBKRXSA-N	-1	1	318.301	-1.408	20	0		DAADMM
C[C@H](C(=O)NCC[C@H]1CNC(=O)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001570921731	948626584	/nfs/dbraw/zinc/62/65/84/948626584.db2.gz	MUPKMBYQIMWEGW-HTQZYQBOSA-N	-1	1	319.329	-1.338	20	0		DAADMM
C[C@H]1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[S@@]1=O	ZINC001570922689	948646094	/nfs/dbraw/zinc/64/60/94/948646094.db2.gz	LXMWMRJCFRVEJB-ZCAPAMDOSA-N	-1	1	324.370	-1.172	20	0		DAADMM
NS(=O)(=O)C[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001570922713	948647141	/nfs/dbraw/zinc/64/71/41/948647141.db2.gz	MTPWDCZJAZGQBG-JGVFFNPUSA-N	-1	1	324.370	-1.052	20	0		DAADMM
CO[C@@]1(C)C[C@H]1NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001570922849	948649085	/nfs/dbraw/zinc/64/90/85/948649085.db2.gz	ORCCZRSSIWTBGR-KRTXAFLBSA-N	-1	1	321.297	-1.577	20	0		DAADMM
Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1C[C@H](CO)[C@H](O)C1	ZINC001570923099	948654798	/nfs/dbraw/zinc/65/47/98/948654798.db2.gz	ULLYRCVSESMJRA-VXNVDRBHSA-N	-1	1	320.309	-1.299	20	0		DAADMM
Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1C[C@H](O)[C@@H](CO)C1	ZINC001570923096	948654874	/nfs/dbraw/zinc/65/48/74/948654874.db2.gz	ULLYRCVSESMJRA-APPZFPTMSA-N	-1	1	320.309	-1.299	20	0		DAADMM
Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1C[C@@H](O)[C@H](CO)C1	ZINC001570923098	948655271	/nfs/dbraw/zinc/65/52/71/948655271.db2.gz	ULLYRCVSESMJRA-IONNQARKSA-N	-1	1	320.309	-1.299	20	0		DAADMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN2C[C@@H](F)C[C@H]2C1	ZINC001570923248	948658057	/nfs/dbraw/zinc/65/80/57/948658057.db2.gz	WAHJBQZKJUMRIE-IUCAKERBSA-N	-1	1	321.320	-1.287	20	0		DAADMM
C[C@H](CCO)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001570930208	948806550	/nfs/dbraw/zinc/80/65/50/948806550.db2.gz	GBUMYBYSQUEYBH-SSDOTTSWSA-N	-1	1	323.313	-1.594	20	0		DAADMM
C[C@H](C[C@H](C)O)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001570931022	948833040	/nfs/dbraw/zinc/83/30/40/948833040.db2.gz	JQJZNOHTNXMQDS-RQJHMYQMSA-N	-1	1	323.313	-1.595	20	0		DAADMM
COC(=O)[C@H](CO)NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C	ZINC001570932731	948863928	/nfs/dbraw/zinc/86/39/28/948863928.db2.gz	XHMMIBNVBMOYFX-ZETCQYMHSA-N	-1	1	322.281	-1.461	20	0		DAADMM
CC(C)[C@@H](O)Cn1c(=O)c(-c2nn[n-]n2)cn(CCO)c1=O	ZINC001574083036	948874987	/nfs/dbraw/zinc/87/49/87/948874987.db2.gz	OHTDOAKPMCOJOJ-VIFPVBQESA-N	-1	1	310.314	-1.801	20	0		DAADMM
CC(C)[C@@H](O)CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001574083877	948893340	/nfs/dbraw/zinc/89/33/40/948893340.db2.gz	ZJTUKDGYBAOEDY-QMMMGPOBSA-N	-1	1	323.313	-1.738	20	0		DAADMM
C[C@@H]1C(=O)N(C)CCN1c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1	ZINC001575866900	949425013	/nfs/dbraw/zinc/42/50/13/949425013.db2.gz	VRDLGGZLMVOROR-ZCFIWIBFSA-N	-1	1	320.313	-2.079	20	0		DAADMM
C[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)S(C)(=O)=O	ZINC001574947484	949446339	/nfs/dbraw/zinc/44/63/39/949446339.db2.gz	BHLYJQWRKSFVOW-LURJTMIESA-N	-1	1	314.331	-1.993	20	0		DAADMM
C[C@H]1[C@H](CO)CCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC001575868120	949454271	/nfs/dbraw/zinc/45/42/71/949454271.db2.gz	MGBPEYPFDQCPQH-YUMQZZPRSA-N	-1	1	321.341	-1.529	20	0		DAADMM
CCN1CCN(Cc2nc([C@@H](N)CC(=O)[O-])no2)C(=O)C1=O	ZINC001589744645	950663719	/nfs/dbraw/zinc/66/37/19/950663719.db2.gz	YJDSLVCHGLIPGN-ZETCQYMHSA-N	-1	1	311.298	-1.265	20	0		DAADMM
C[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C[C@@H]1CO	ZINC001576216110	950725350	/nfs/dbraw/zinc/72/53/50/950725350.db2.gz	YPGYJXJVRJVVND-HTQZYQBOSA-N	-1	1	321.341	-1.292	20	0		DAADMM
O=C([O-])CCNC(=O)C(=O)NC[C@@H]1CCN1C1CCOCC1	ZINC001595055758	951494633	/nfs/dbraw/zinc/49/46/33/951494633.db2.gz	FZLTYXONTXDDPM-NSHDSACASA-N	-1	1	313.354	-1.053	20	0		DAADMM
O=C([O-])CCNC(=O)C(=O)NC[C@H]1CCN1C1CCOCC1	ZINC001595055757	951495065	/nfs/dbraw/zinc/49/50/65/951495065.db2.gz	FZLTYXONTXDDPM-LLVKDONJSA-N	-1	1	313.354	-1.053	20	0		DAADMM
O=C([O-])CN1CC[C@H](N2CCC(C(=O)NCCO)CC2)C1=O	ZINC001595072452	951607534	/nfs/dbraw/zinc/60/75/34/951607534.db2.gz	ROLUZYYWMQCZJI-NSHDSACASA-N	-1	1	313.354	-1.508	20	0		DAADMM
O=C([O-])CN1CC[C@@H](N[C@@H]2C(=O)NCC23CCOCC3)C1=O	ZINC001595079840	951669190	/nfs/dbraw/zinc/66/91/90/951669190.db2.gz	UQZMVARMMGDKEW-MWLCHTKSSA-N	-1	1	311.338	-1.443	20	0		DAADMM
O=C([O-])CN1CC[C@H](N[C@@H]2C(=O)NCC23CCOCC3)C1=O	ZINC001595079838	951669911	/nfs/dbraw/zinc/66/99/11/951669911.db2.gz	UQZMVARMMGDKEW-GXSJLCMTSA-N	-1	1	311.338	-1.443	20	0		DAADMM
O=C([O-])CN1CCC[C@H](C(=O)NC[C@H](O)c2cnc[nH]2)C1=O	ZINC001595085703	951724866	/nfs/dbraw/zinc/72/48/66/951724866.db2.gz	VVULXPHHBFGMNJ-SCZZXKLOSA-N	-1	1	310.310	-1.118	20	0		DAADMM
C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C(N)=O	ZINC001575132978	952100254	/nfs/dbraw/zinc/10/02/54/952100254.db2.gz	IYIOTGFVAHLVLJ-ZCFIWIBFSA-N	-1	1	305.302	-1.599	20	0		DAADMM
C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C(N)=O	ZINC001575132978	952100267	/nfs/dbraw/zinc/10/02/67/952100267.db2.gz	IYIOTGFVAHLVLJ-ZCFIWIBFSA-N	-1	1	305.302	-1.599	20	0		DAADMM
C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CC(N)=O	ZINC001575134708	952111850	/nfs/dbraw/zinc/11/18/50/952111850.db2.gz	OKGWIZOFGXNCNL-ZETCQYMHSA-N	-1	1	319.329	-1.209	20	0		DAADMM
C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CC(N)=O	ZINC001575134708	952111858	/nfs/dbraw/zinc/11/18/58/952111858.db2.gz	OKGWIZOFGXNCNL-ZETCQYMHSA-N	-1	1	319.329	-1.209	20	0		DAADMM
O=C([O-])Cn1cccc(C(=O)NCCN2CC[C@H](O)C2)c1=O	ZINC001595155024	952160369	/nfs/dbraw/zinc/16/03/69/952160369.db2.gz	MHFQCPBJSZJHEA-JTQLQIEISA-N	-1	1	309.322	-1.271	20	0		DAADMM
CC(CO)(CO)NC(=O)NCc1nc(-c2nnn[n-]2)cs1	ZINC001575180059	952414206	/nfs/dbraw/zinc/41/42/06/952414206.db2.gz	XMNBKYASRKYGCF-UHFFFAOYSA-N	-1	1	313.343	-1.134	20	0		DAADMM
CC(CO)(CO)NC(=O)NCc1nc(-c2nn[n-]n2)cs1	ZINC001575180059	952414213	/nfs/dbraw/zinc/41/42/13/952414213.db2.gz	XMNBKYASRKYGCF-UHFFFAOYSA-N	-1	1	313.343	-1.134	20	0		DAADMM
C[C@H](CS(C)(=O)=O)NC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC001575185566	952433640	/nfs/dbraw/zinc/43/36/40/952433640.db2.gz	SNTPHJNHCXZQNG-ZCFIWIBFSA-N	-1	1	314.331	-1.993	20	0		DAADMM
O=C([O-])C(=O)N1CCN(C(=O)C2CN([C@H]3CCOC3)C2)CC1	ZINC001594826117	953940754	/nfs/dbraw/zinc/94/07/54/953940754.db2.gz	ZBVVYJPSLSKEJW-NSHDSACASA-N	-1	1	311.338	-1.538	20	0		DAADMM
O=C([O-])C1(C(=O)NCCc2nc[nH]n2)CCS(=O)(=O)CC1	ZINC001594863734	954304393	/nfs/dbraw/zinc/30/43/93/954304393.db2.gz	ODCCHRNSGJJFBJ-UHFFFAOYSA-N	-1	1	316.339	-1.257	20	0		DAADMM
O=C([O-])C1=NO[C@H](C(=O)N2CCN(Cc3nnc[nH]3)CC2)C1	ZINC001594889546	954503631	/nfs/dbraw/zinc/50/36/31/954503631.db2.gz	HWRZEPMRCVTRHD-VIFPVBQESA-N	-1	1	308.298	-1.322	20	0		DAADMM
CN1CCN(C)[C@@H](CNC(=O)C(=O)NCCCC(=O)[O-])C1	ZINC001593781093	954664143	/nfs/dbraw/zinc/66/41/43/954664143.db2.gz	OKJCOOOLOHMTOT-JTQLQIEISA-N	-1	1	300.359	-1.671	20	0		DAADMM
COC(=O)[C@@]1(NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCOC1	ZINC001593814555	954986886	/nfs/dbraw/zinc/98/68/86/954986886.db2.gz	OYFGRQWGEOJCIN-GZMMTYOYSA-N	-1	1	322.339	-1.298	20	0		DAADMM
O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCc1nn[nH]n1	ZINC001594960226	955009417	/nfs/dbraw/zinc/00/94/17/955009417.db2.gz	SXURNJMNGZZFLR-ZCFIWIBFSA-N	-1	1	303.300	-2.158	20	0		DAADMM
COC(=O)[C@H]1CN(C)CCN([C@H]2CCN(CC(=O)[O-])C2=O)C1	ZINC001593829511	955137841	/nfs/dbraw/zinc/13/78/41/955137841.db2.gz	ZDJDQVCKSIFZAW-QWRGUYRKSA-N	-1	1	313.354	-1.292	20	0		DAADMM
Cn1c(CNC(=O)NCCOCCOCC(=O)[O-])n[nH]c1=O	ZINC001594518625	955443554	/nfs/dbraw/zinc/44/35/54/955443554.db2.gz	KMGRHGCFBBUGRW-UHFFFAOYSA-N	-1	1	317.302	-1.562	20	0		DAADMM
CO[C@H](C(=O)[O-])C(=O)N1CCN([C@H]2CCNC(=O)CC2)CC1	ZINC001593904827	955898196	/nfs/dbraw/zinc/89/81/96/955898196.db2.gz	ARUZCELRIIRAOI-PWSUYJOCSA-N	-1	1	313.354	-1.101	20	0		DAADMM
CO[C@@H](C(=O)[O-])C(=O)N1CCN([C@@H]2CCNC(=O)CC2)CC1	ZINC001593904825	955899053	/nfs/dbraw/zinc/89/90/53/955899053.db2.gz	ARUZCELRIIRAOI-CMPLNLGQSA-N	-1	1	313.354	-1.101	20	0		DAADMM
CO[C@H](C(=O)[O-])C(=O)N[C@H]1CCN(CCN2CCOCC2)C1	ZINC001593906919	955930518	/nfs/dbraw/zinc/93/05/18/955930518.db2.gz	LORIKKTYQWXVAI-RYUDHWBXSA-N	-1	1	315.370	-1.391	20	0		DAADMM
NC(=O)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001594636034	956372482	/nfs/dbraw/zinc/37/24/82/956372482.db2.gz	AFZYCOCSMIPHPB-WHFBIAKZSA-N	-1	1	311.216	-1.406	20	0		DAADMM
NC(=O)C1CCN(C(=O)CNC2(C(=O)[O-])CCOCC2)CC1	ZINC001594640827	956417387	/nfs/dbraw/zinc/41/73/87/956417387.db2.gz	RVZGOQDAOGURHZ-UHFFFAOYSA-N	-1	1	313.354	-1.066	20	0		DAADMM
COC[C@]1(C(=O)[O-])CN(C(=O)[C@]2(C)C[C@H](O)CN2C)CCO1	ZINC001593969913	956597540	/nfs/dbraw/zinc/59/75/40/956597540.db2.gz	ICDNOMPAMOXFEM-BPNCWPANSA-N	-1	1	316.354	-1.230	20	0		DAADMM
O=C(CNC1(C(=O)[O-])CCOCC1)N[C@@H]1CCS(=O)(=O)C1	ZINC001594696878	956776728	/nfs/dbraw/zinc/77/67/28/956776728.db2.gz	AWVICHBXKJWZPV-SECBINFHSA-N	-1	1	320.367	-1.487	20	0		DAADMM
CN(C)CC(=O)N1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1	ZINC000389268836	972215908	/nfs/dbraw/zinc/21/59/08/972215908.db2.gz	KDNJBUCLNQNXLK-MNOVXSKESA-N	-1	1	313.354	-1.149	20	0		DAADMM
COCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001594015122	957028507	/nfs/dbraw/zinc/02/85/07/957028507.db2.gz	PQELFULJFSNUSF-MXWKQRLJSA-N	-1	1	313.354	-1.197	20	0		DAADMM
CC(C)[N@@H+](C)C[C@H](O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001571103526	961262304	/nfs/dbraw/zinc/26/23/04/961262304.db2.gz	YPLCKMCERZZQLH-WDEREUQCSA-N	-1	1	308.400	-1.129	20	0		DAADMM
CC(C)N(C)C[C@H](O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001571103526	961262314	/nfs/dbraw/zinc/26/23/14/961262314.db2.gz	YPLCKMCERZZQLH-WDEREUQCSA-N	-1	1	308.400	-1.129	20	0		DAADMM
CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001571106374	961280470	/nfs/dbraw/zinc/28/04/70/961280470.db2.gz	NXJVTHMJOGVCSB-AEJSXWLSSA-N	-1	1	310.310	-1.185	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	ZINC001571123206	961465661	/nfs/dbraw/zinc/46/56/61/961465661.db2.gz	OALCZRBZPHAMMP-LLVKDONJSA-N	-1	1	314.386	-1.342	20	0		DAADMM
CCS(=O)(=O)NCCN(CCNC(C)=O)[C@@H](C)C(=O)[O-]	ZINC001573928846	961561660	/nfs/dbraw/zinc/56/16/60/961561660.db2.gz	NJZBPPNRZAZAQC-VIFPVBQESA-N	-1	1	309.388	-1.163	20	0		DAADMM
NC(=O)[C@@H]1CCCN1CCCNC(=O)c1cn(CC(=O)[O-])nn1	ZINC001574500610	961762194	/nfs/dbraw/zinc/76/21/94/961762194.db2.gz	PQKCKZRWWNPSAZ-JTQLQIEISA-N	-1	1	324.341	-1.568	20	0		DAADMM
CN1CC[C@@](O)(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC001588870502	962062340	/nfs/dbraw/zinc/06/23/40/962062340.db2.gz	MPDTXUHHYVTWSJ-GFCCVEGCSA-N	-1	1	321.399	-1.316	20	0		DAADMM
CN1CC[C@@H](N2CCC(NC(=O)COCC(=O)[O-])CC2)C1=O	ZINC001588870682	962068493	/nfs/dbraw/zinc/06/84/93/962068493.db2.gz	PCAFIFHWBQRUKC-LLVKDONJSA-N	-1	1	313.354	-1.101	20	0		DAADMM
COC(=O)C1CC2(C1)CN(CC(=O)NC(N)=O)C[C@H]2C(=O)[O-]	ZINC001574047819	962136089	/nfs/dbraw/zinc/13/60/89/962136089.db2.gz	NRRAQXGPFNYSSG-DMWDQNTBSA-N	-1	1	313.310	-1.233	20	0		DAADMM
O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)on1	ZINC000315519088	963911126	/nfs/dbraw/zinc/91/11/26/963911126.db2.gz	AZEIRDCAOPPUNW-MRVPVSSYSA-N	-1	1	316.339	-1.349	20	0		DAADMM
COCCN(C)CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC001610258837	970708495	/nfs/dbraw/zinc/70/84/95/970708495.db2.gz	ZMPFGWKBFMRUBO-JTQLQIEISA-N	-1	1	301.343	-1.386	20	0		DAADMM
CN1CCN(C2CN(C(=O)c3cn(CC(=O)[O-])nn3)C2)CC1	ZINC001604221680	972720147	/nfs/dbraw/zinc/72/01/47/972720147.db2.gz	YQMVTEBHXPOKIB-UHFFFAOYSA-N	-1	1	308.342	-1.566	20	0		DAADMM
CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001604240270	972756824	/nfs/dbraw/zinc/75/68/24/972756824.db2.gz	YVCKTDYUZNDIPY-CBAPKCEASA-N	-1	1	309.282	-1.588	20	0		DAADMM
O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1	ZINC001605999812	973093353	/nfs/dbraw/zinc/09/33/53/973093353.db2.gz	AGPHOYFOXCVHJN-OUAUKWLOSA-N	-1	1	311.338	-1.803	20	0		DAADMM
CO[C@H](C(=O)[O-])C(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21	ZINC001604432892	973223398	/nfs/dbraw/zinc/22/33/98/973223398.db2.gz	WHEJDWSKFLOPSU-OUJBWJOFSA-N	-1	1	302.327	-1.572	20	0		DAADMM
CN(C[C@H](O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-])C1CC1	ZINC001606096433	973267662	/nfs/dbraw/zinc/26/76/62/973267662.db2.gz	YCCWYTAOEPYYDI-WDEREUQCSA-N	-1	1	306.384	-1.375	20	0		DAADMM
CN(C[C@@H](O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-])C1CC1	ZINC001606096430	973268222	/nfs/dbraw/zinc/26/82/22/973268222.db2.gz	YCCWYTAOEPYYDI-MNOVXSKESA-N	-1	1	306.384	-1.375	20	0		DAADMM
CN1CCN(C)[C@H](CNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1	ZINC000401791041	973393386	/nfs/dbraw/zinc/39/33/86/973393386.db2.gz	NMPDVXCZBUIQEH-TUAOUCFPSA-N	-1	1	314.386	-1.291	20	0		DAADMM
CN1CCN(C)[C@H](CNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1	ZINC000401791038	973393923	/nfs/dbraw/zinc/39/39/23/973393923.db2.gz	NMPDVXCZBUIQEH-QJPTWQEYSA-N	-1	1	314.386	-1.291	20	0		DAADMM
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC001606237225	973510527	/nfs/dbraw/zinc/51/05/27/973510527.db2.gz	ANRRAESSRUKVOG-QWRGUYRKSA-N	-1	1	312.370	-1.719	20	0		DAADMM
CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1	ZINC001606237225	973510539	/nfs/dbraw/zinc/51/05/39/973510539.db2.gz	ANRRAESSRUKVOG-QWRGUYRKSA-N	-1	1	312.370	-1.719	20	0		DAADMM
O=C([O-])CS(=O)(=O)CCN[C@H]1CCCN(CCO)C1=O	ZINC001606297870	973707115	/nfs/dbraw/zinc/70/71/15/973707115.db2.gz	XHQVIIUZGJQUIT-VIFPVBQESA-N	-1	1	308.356	-1.941	20	0		DAADMM
NC(=O)CCS(=O)(=O)CCN1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001605631820	973978541	/nfs/dbraw/zinc/97/85/41/973978541.db2.gz	KTHMZNQBLNUFTN-BXKDBHETSA-N	-1	1	320.367	-1.690	20	0		DAADMM
CN(C)CC(=O)N1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1	ZINC001604057714	974590856	/nfs/dbraw/zinc/59/08/56/974590856.db2.gz	PDFQLDIKZSJQAH-CQSZACIVSA-N	-1	1	313.354	-1.147	20	0		DAADMM
C[C@H](CC(=O)[O-])N1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1	ZINC001592410812	978006508	/nfs/dbraw/zinc/00/65/08/978006508.db2.gz	SEKBWVZBKOYOFN-BDAKNGLRSA-N	-1	1	312.326	-1.408	20	0		DAADMM
C[C@@H](CNC(=O)N1CC(O)(C(=O)[O-])C1)N1CCN(C)CC1	ZINC001592655260	978638468	/nfs/dbraw/zinc/63/84/68/978638468.db2.gz	QMXJEDBKDRFIKC-JTQLQIEISA-N	-1	1	300.359	-1.537	20	0		DAADMM
C[C@H](NC(=O)CN1CCN(CC(=O)[O-])CC1)C(=O)N(C)C	ZINC001593027393	980292054	/nfs/dbraw/zinc/29/20/54/980292054.db2.gz	BDICWSUHQROXBJ-JTQLQIEISA-N	-1	1	300.359	-1.719	20	0		DAADMM
C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)[C@@H]1CN(C)CCN1C	ZINC001593049445	980335336	/nfs/dbraw/zinc/33/53/36/980335336.db2.gz	AGAMAZYQGBMBPH-KOLCDFICSA-N	-1	1	310.358	-1.273	20	0		DAADMM
CCN(C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@@H]1CCN(C)C1	ZINC001596127205	983467837	/nfs/dbraw/zinc/46/78/37/983467837.db2.gz	BYNAWGLNPDWUKI-GHMZBOCLSA-N	-1	1	313.354	-1.149	20	0		DAADMM
CC(=O)N1CCN(C(=O)CN2CCC(O)(C(=O)[O-])CC2)CC1	ZINC001589079385	985237981	/nfs/dbraw/zinc/23/79/81/985237981.db2.gz	FSZCIENAOKZGIN-UHFFFAOYSA-N	-1	1	313.354	-1.411	20	0		DAADMM
C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1OCCN(C)C1=O	ZINC001594515758	985885459	/nfs/dbraw/zinc/88/54/59/985885459.db2.gz	QUCYYLQARUVGIY-CMPLNLGQSA-N	-1	1	313.354	-1.149	20	0		DAADMM
C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1	ZINC001594518621	985929557	/nfs/dbraw/zinc/92/95/57/985929557.db2.gz	ARFCTIRQIHDFFX-IUCAKERBSA-N	-1	1	312.326	-1.408	20	0		DAADMM
Cc1c(C(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])nnn1C	ZINC001599974889	986073376	/nfs/dbraw/zinc/07/33/76/986073376.db2.gz	BKAYHLIOSKZGSD-UHFFFAOYSA-N	-1	1	324.385	-1.102	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1	ZINC001596968394	986182996	/nfs/dbraw/zinc/18/29/96/986182996.db2.gz	LFXUQDLZLJTJDC-SECBINFHSA-N	-1	1	302.331	-1.288	20	0		DAADMM
CCS(=O)(=O)NCC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1	ZINC001597225814	987176615	/nfs/dbraw/zinc/17/66/15/987176615.db2.gz	WFGLPQDJZICIND-SNVBAGLBSA-N	-1	1	321.399	-1.067	20	0		DAADMM
C[C@@H](C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-])N(C)C	ZINC001599830024	988657904	/nfs/dbraw/zinc/65/79/04/988657904.db2.gz	BHPYKLDFHSYQMK-CIUDSAMLSA-N	-1	1	312.326	-1.458	20	0		DAADMM
C[C@H](C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-])N(C)C	ZINC001599885311	989545637	/nfs/dbraw/zinc/54/56/37/989545637.db2.gz	BHPYKLDFHSYQMK-VGMNWLOBSA-N	-1	1	312.326	-1.458	20	0		DAADMM
CN(C)S(=O)(=O)CCC(=O)N1CCN(CC(=O)[O-])CC1	ZINC001598262129	991095685	/nfs/dbraw/zinc/09/56/85/991095685.db2.gz	OHHPCOBMODEXKO-UHFFFAOYSA-N	-1	1	307.372	-1.503	20	0		DAADMM
CN(CC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])c1ncnc2[nH]cnc21	ZINC001598384984	991601720	/nfs/dbraw/zinc/60/17/20/991601720.db2.gz	SBSJLTKLDHDZTG-HTQZYQBOSA-N	-1	1	320.309	-1.165	20	0		DAADMM
CN(CC(=O)N[C@@H](Cn1cncn1)C(=O)[O-])[C@@H]1CCC[C@H]1O	ZINC001598387738	991623545	/nfs/dbraw/zinc/62/35/45/991623545.db2.gz	UAKNWIYCDSVZQK-HBNTYKKESA-N	-1	1	311.342	-1.307	20	0		DAADMM
CS(=O)(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC001599759489	992100203	/nfs/dbraw/zinc/10/02/03/992100203.db2.gz	WFRQVHZBGXEJCR-QMMMGPOBSA-N	-1	1	304.328	-1.539	20	0		DAADMM
CN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])CC(=O)NC(N)=O	ZINC001598480032	992134218	/nfs/dbraw/zinc/13/42/18/992134218.db2.gz	RGWGSUPTSNFJDF-JGVFFNPUSA-N	-1	1	300.315	-1.660	20	0		DAADMM
CN(CCCNCc1cn(CC(=O)[O-])nn1)S(C)(=O)=O	ZINC001598481195	992153368	/nfs/dbraw/zinc/15/33/68/992153368.db2.gz	JBFNJOYUQUNOAY-UHFFFAOYSA-N	-1	1	305.360	-1.266	20	0		DAADMM
CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)Cc1nnc[nH]1)C(=O)[O-]	ZINC001599763574	992155141	/nfs/dbraw/zinc/15/51/41/992155141.db2.gz	ZVMQCFGYSNRZDZ-QUBYGPBYSA-N	-1	1	302.312	-1.649	20	0		DAADMM
CN(CCNC(=O)CN1CCS(=O)(=O)CC1)CC(=O)[O-]	ZINC001598489970	992273560	/nfs/dbraw/zinc/27/35/60/992273560.db2.gz	CKDYYYGREQGTCD-UHFFFAOYSA-N	-1	1	307.372	-2.151	20	0		DAADMM
CN(CCNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)CC(=O)[O-]	ZINC001598490332	992279540	/nfs/dbraw/zinc/27/95/40/992279540.db2.gz	CARICPVASNHGLZ-SECBINFHSA-N	-1	1	307.372	-1.169	20	0		DAADMM
CN(CCNC(=O)C1CC2(C1)CS(=O)(=O)C2)CC(=O)[O-]	ZINC001598492058	992309190	/nfs/dbraw/zinc/30/91/90/992309190.db2.gz	YWLYILMDRYGPFK-UHFFFAOYSA-N	-1	1	304.368	-1.056	20	0		DAADMM
CN1C[C@H](O)C[C@@]1(C)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC001598569456	993179734	/nfs/dbraw/zinc/17/97/34/993179734.db2.gz	KNGHGXQVDRRFSN-RNCFNFMXSA-N	-1	1	309.326	-1.185	20	0		DAADMM
CN1CC[C@H](C(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)C1	ZINC001598579795	993325392	/nfs/dbraw/zinc/32/53/92/993325392.db2.gz	VVPJECYWXIWNKC-HOTUBEGUSA-N	-1	1	304.368	-1.058	20	0		DAADMM
CN1CCN(C)CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1	ZINC001598614016	993842826	/nfs/dbraw/zinc/84/28/26/993842826.db2.gz	ISBUKQIBVRLISM-UHFFFAOYSA-N	-1	1	310.358	-1.318	20	0		DAADMM
CN1CCN(CCN(CC(=O)[O-])C(=O)CCNC(N)=O)CC1	ZINC001598617041	993905392	/nfs/dbraw/zinc/90/53/92/993905392.db2.gz	SDTNETHPQUEIOO-UHFFFAOYSA-N	-1	1	315.374	-1.795	20	0		DAADMM
CN1CCN(CCCS(=O)(=O)N[C@H](CF)C(=O)[O-])CC1	ZINC001598617901	993926550	/nfs/dbraw/zinc/92/65/50/993926550.db2.gz	KRWCGUOUJNCPIW-SNVBAGLBSA-N	-1	1	311.379	-1.034	20	0		DAADMM
CNC(=O)NC(=O)CN(C)CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001598651182	994445637	/nfs/dbraw/zinc/44/56/37/994445637.db2.gz	CDRSWCOFDXSHGI-RKDXNWHRSA-N	-1	1	314.342	-1.399	20	0		DAADMM
C[C@](O)(CN1CCN(CC(=O)N2CCOCC2)CC1)C(=O)[O-]	ZINC001593396631	995143772	/nfs/dbraw/zinc/14/37/72/995143772.db2.gz	RNZKWBWPMCTFKX-AWEZNQCLSA-N	-1	1	315.370	-1.702	20	0		DAADMM
C[C@@](O)(CN1CCN(CC(=O)N2CCOCC2)CC1)C(=O)[O-]	ZINC001593396632	995144102	/nfs/dbraw/zinc/14/41/02/995144102.db2.gz	RNZKWBWPMCTFKX-CQSZACIVSA-N	-1	1	315.370	-1.702	20	0		DAADMM
COC(=O)[C@H]1C[C@H](O)CN(CCc2cn(CC(=O)[O-])nn2)C1	ZINC001598753271	995682140	/nfs/dbraw/zinc/68/21/40/995682140.db2.gz	APZCLQIUQIGAGK-ONGXEEELSA-N	-1	1	312.326	-1.239	20	0		DAADMM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H]1CN2CCN1C[C@@H]2C	ZINC001598889721	996969270	/nfs/dbraw/zinc/96/92/70/996969270.db2.gz	BKHKIGISNJGALC-HBNTYKKESA-N	-1	1	313.354	-1.103	20	0		DAADMM
COCc1nc(CNC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)n[nH]1	ZINC001599306190	997319269	/nfs/dbraw/zinc/31/92/69/997319269.db2.gz	JHJRSOKNZSTSCF-JGVFFNPUSA-N	-1	1	313.314	-1.072	20	0		DAADMM
COCC[C@H]1CNCCN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC001599221318	997674993	/nfs/dbraw/zinc/67/49/93/997674993.db2.gz	NIOXDVUDTLIUEI-MNOVXSKESA-N	-1	1	313.354	-1.244	20	0		DAADMM
C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)CCN1CCC(=O)[O-]	ZINC001594465523	999683989	/nfs/dbraw/zinc/68/39/89/999683989.db2.gz	RXPLBQYLWPKPGE-SNVBAGLBSA-N	-1	1	321.399	-1.067	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@H]2OCCN(C)C2=O)CCN1CCC(=O)[O-]	ZINC001594467066	999693042	/nfs/dbraw/zinc/69/30/42/999693042.db2.gz	XGTKFKBBAPTSII-PWSUYJOCSA-N	-1	1	313.354	-1.149	20	0		DAADMM
C[C@H]1CN(C(=O)CN2CCOCC2=O)CCN1CCC(=O)[O-]	ZINC001594468755	999697431	/nfs/dbraw/zinc/69/74/31/999697431.db2.gz	QANQEYOVXAMAHT-NSHDSACASA-N	-1	1	313.354	-1.147	20	0		DAADMM
COC(=O)CC1(CS(=O)(=O)[N-][C@H](CO)C(=O)OC)CC1	ZINC000342344861	545691149	/nfs/dbraw/zinc/69/11/49/545691149.db2.gz	KHACLRCLXXTSOT-MRVPVSSYSA-N	-1	1	309.340	-1.217	20	0		DAADMM
COCC1(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1	ZINC000655639410	545705282	/nfs/dbraw/zinc/70/52/82/545705282.db2.gz	MBZVFKRQKAPYHN-UHFFFAOYSA-N	-1	1	317.367	-1.211	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)/C=C\C3CC3)C2)nc1=O	ZINC001192087713	781942518	/nfs/dbraw/zinc/94/25/18/781942518.db2.gz	MMEMBZOXNWGNJM-WQMVXFAESA-N	-1	1	307.354	-1.264	20	0		DAADMM
O=C(CCc1nc[nH]n1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O	ZINC001192102951	781945790	/nfs/dbraw/zinc/94/57/90/781945790.db2.gz	GJJIFNWCKDUUEJ-HTQZYQBOSA-N	-1	1	322.329	-2.078	20	0		DAADMM
O=C(CNS(=O)(=O)[N-]CC(F)(F)F)N1CCNCC1	ZINC000127446651	372788028	/nfs/dbraw/zinc/78/80/28/372788028.db2.gz	NFEXVYQHOOJVLK-UHFFFAOYSA-N	-1	1	304.294	-1.596	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@H](O)C2CC2)c(=O)n(C)c1=O	ZINC000071304354	372793984	/nfs/dbraw/zinc/79/39/84/372793984.db2.gz	VYJDMZDPOOLZCE-QMMMGPOBSA-N	-1	1	303.340	-1.867	20	0		DAADMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](CO)C(=O)OC	ZINC000037731947	372783952	/nfs/dbraw/zinc/78/39/52/372783952.db2.gz	BOKGZTRBDCYNHJ-SSDOTTSWSA-N	-1	1	321.311	-1.601	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCn2ccnc2)c(=O)n(C)c1=O	ZINC000030496128	372786451	/nfs/dbraw/zinc/78/64/51/372786451.db2.gz	GLJCJGVGPAHLER-UHFFFAOYSA-N	-1	1	313.339	-1.741	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2COCCC2=O)c(=O)n(C)c1=O	ZINC000625490944	372824102	/nfs/dbraw/zinc/82/41/02/372824102.db2.gz	MUMFODGTWMJKTH-ZETCQYMHSA-N	-1	1	317.323	-2.280	20	0		DAADMM
CC[C@](C)(O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000087041041	372811162	/nfs/dbraw/zinc/81/11/62/372811162.db2.gz	MRKODNPOKRWDDF-NSHDSACASA-N	-1	1	305.356	-1.477	20	0		DAADMM
CCC(O)(CC)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000087041462	372812507	/nfs/dbraw/zinc/81/25/07/372812507.db2.gz	UMKFZSTXHFQWFH-UHFFFAOYSA-N	-1	1	319.383	-1.087	20	0		DAADMM
O=C(NCc1nn[n-]n1)[C@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000600497153	372842294	/nfs/dbraw/zinc/84/22/94/372842294.db2.gz	JFVPHWYFJKALEB-JTQLQIEISA-N	-1	1	323.357	-2.003	20	0		DAADMM
CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2nn[n-]n2)C1	ZINC000600496809	372842594	/nfs/dbraw/zinc/84/25/94/372842594.db2.gz	GQMDLEGYHRXZAQ-MRVPVSSYSA-N	-1	1	302.360	-1.122	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC2(O)CCC2)c(=O)n(C)c1=O	ZINC000158608971	372859552	/nfs/dbraw/zinc/85/95/52/372859552.db2.gz	NKVNEGGCTSALEJ-UHFFFAOYSA-N	-1	1	303.340	-1.723	20	0		DAADMM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCO1	ZINC000271271666	372893758	/nfs/dbraw/zinc/89/37/58/372893758.db2.gz	ONYIRXWHKFKRMI-RKDXNWHRSA-N	-1	1	317.367	-1.070	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](O)C2)c(=O)n(C)c1=O	ZINC000236087985	372903941	/nfs/dbraw/zinc/90/39/41/372903941.db2.gz	YQHXBVIUTSRMIB-DTWKUNHWSA-N	-1	1	317.367	-1.477	20	0		DAADMM
C[C@H](C[C@H](C)O)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000228207031	372935418	/nfs/dbraw/zinc/93/54/18/372935418.db2.gz	SVQQTUUJBBBVRK-SFYZADRCSA-N	-1	1	305.356	-1.478	20	0		DAADMM
O=C(CNC(=O)c1ccc2c(c1)OCO2)NCc1nn[n-]n1	ZINC000599334352	373039750	/nfs/dbraw/zinc/03/97/50/373039750.db2.gz	HNBCVHFBYSAJTE-UHFFFAOYSA-N	-1	1	304.266	-1.025	20	0		DAADMM
O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1nn[n-]n1	ZINC000599334694	373040206	/nfs/dbraw/zinc/04/02/06/373040206.db2.gz	PHBFGEWQZQEGRF-UHFFFAOYSA-N	-1	1	301.266	-1.068	20	0		DAADMM
NC(=O)[C@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])CCO1	ZINC000337940093	373109467	/nfs/dbraw/zinc/10/94/67/373109467.db2.gz	CBCJUBCSVQAAMG-SECBINFHSA-N	-1	1	308.294	-1.770	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CCS(=O)(=O)C1	ZINC000337944468	373110685	/nfs/dbraw/zinc/11/06/85/373110685.db2.gz	XZFRPUVYAUAFNJ-QMMMGPOBSA-N	-1	1	313.335	-1.180	20	0		DAADMM
Cn1cnc(S(=O)(=O)[N-]CCC(=O)NC(N)=O)c1Cl	ZINC000268772730	373169214	/nfs/dbraw/zinc/16/92/14/373169214.db2.gz	FVDOOQWFIVAELI-UHFFFAOYSA-N	-1	1	309.735	-1.063	20	0		DAADMM
Cc1ncc(S(N)(=O)=O)cc1C(=O)NC1(c2nn[n-]n2)CC1	ZINC000563388544	373134203	/nfs/dbraw/zinc/13/42/03/373134203.db2.gz	SPKZKMXQVCITDA-UHFFFAOYSA-N	-1	1	323.338	-1.030	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2O)c(=O)n(C)c1=O	ZINC000052005498	373141624	/nfs/dbraw/zinc/14/16/24/373141624.db2.gz	REEWRZWNGGTLSS-DTWKUNHWSA-N	-1	1	317.367	-1.334	20	0		DAADMM
CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000276040679	373182353	/nfs/dbraw/zinc/18/23/53/373182353.db2.gz	FZWXOPMIZDESEW-JGVFFNPUSA-N	-1	1	305.356	-1.214	20	0		DAADMM
C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000277604563	373183433	/nfs/dbraw/zinc/18/34/33/373183433.db2.gz	AIPXSFQMSOLWSO-IUCAKERBSA-N	-1	1	317.367	-1.213	20	0		DAADMM
NS(=O)(=O)N1CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1	ZINC000281015917	373195766	/nfs/dbraw/zinc/19/57/66/373195766.db2.gz	STXGMFYOMCZSIP-UHFFFAOYSA-N	-1	1	313.335	-1.077	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C2CCOCC2)c(=O)n(C)c1=O	ZINC000328811248	373252266	/nfs/dbraw/zinc/25/22/66/373252266.db2.gz	FDRTXFOVWUDWPO-UHFFFAOYSA-N	-1	1	303.340	-1.459	20	0		DAADMM
COC[C@H](C)S(=O)(=O)[N-][C@@H](CN1CCOCC1)C(=O)OC	ZINC000583544196	373265499	/nfs/dbraw/zinc/26/54/99/373265499.db2.gz	UZQOLSHGPXDUGR-QWRGUYRKSA-N	-1	1	324.399	-1.186	20	0		DAADMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCOCC(N)=O	ZINC000228674156	373299181	/nfs/dbraw/zinc/29/91/81/373299181.db2.gz	BRSKNWOVSLAITQ-UHFFFAOYSA-N	-1	1	320.327	-1.633	20	0		DAADMM
COC[C@H](C)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000049176568	373317977	/nfs/dbraw/zinc/31/79/77/373317977.db2.gz	PJJSBBVKCDBANJ-MRVPVSSYSA-N	-1	1	305.356	-1.355	20	0		DAADMM
CCC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)c1nn[n-]n1	ZINC000612057175	373352289	/nfs/dbraw/zinc/35/22/89/373352289.db2.gz	PIUAQGONSNLVPY-SSDOTTSWSA-N	-1	1	305.364	-1.447	20	0		DAADMM
C[C@H](CN(C)C(=O)[C@H]1CCN=C2C1=NNN2C)c1nn[n-]n1	ZINC000613474629	373456921	/nfs/dbraw/zinc/45/69/21/373456921.db2.gz	IFYXBECUGIMOJW-SFYZADRCSA-N	-1	1	305.346	-1.014	20	0		DAADMM
CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000055296499	373465502	/nfs/dbraw/zinc/46/55/02/373465502.db2.gz	YITLJXKQVACOPH-LURJTMIESA-N	-1	1	304.328	-2.503	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CN(C)NC2=O)o1	ZINC000539780270	373496384	/nfs/dbraw/zinc/49/63/84/373496384.db2.gz	HIBOFEFGHCTANY-ZCFIWIBFSA-N	-1	1	302.312	-1.737	20	0		DAADMM
O=C(CN1CCN(C(=O)CCc2nn[n-]n2)CC1)N1CCCC1	ZINC000630519285	373500725	/nfs/dbraw/zinc/50/07/25/373500725.db2.gz	PJLTVIPVDFCWEY-UHFFFAOYSA-N	-1	1	321.385	-1.101	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCCOC2)c(=O)n(C)c1=O	ZINC000056130185	373511576	/nfs/dbraw/zinc/51/15/76/373511576.db2.gz	RTVIOGWXRXXKIM-VIFPVBQESA-N	-1	1	317.367	-1.211	20	0		DAADMM
COC(=O)c1ccc(S(=O)(=O)[N-][C@@]2(C(N)=O)CCOC2)o1	ZINC000577886780	373579814	/nfs/dbraw/zinc/57/98/14/373579814.db2.gz	UTHMONIRFRFQIA-NSHDSACASA-N	-1	1	318.307	-1.011	20	0		DAADMM
COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)[N-][C@]1(C(N)=O)CCOC1	ZINC000580903785	373597633	/nfs/dbraw/zinc/59/76/33/373597633.db2.gz	XRTDZMJDAWOASH-VDDIYKPWSA-N	-1	1	320.367	-1.108	20	0		DAADMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC(=O)NCCO	ZINC000581290587	373598751	/nfs/dbraw/zinc/59/87/51/373598751.db2.gz	BVNKYMXJZKQSPK-UHFFFAOYSA-N	-1	1	321.337	-1.181	20	0		DAADMM
CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000581187901	373599522	/nfs/dbraw/zinc/59/95/22/373599522.db2.gz	KQVLUVKRHLVGIU-HTQZYQBOSA-N	-1	1	319.339	-2.224	20	0		DAADMM
CN1C(=O)C[C@@H]([N-]S(=O)(=O)C[C@@H]2CN(C)CCO2)C1=O	ZINC000632313703	373715096	/nfs/dbraw/zinc/71/50/96/373715096.db2.gz	NCONRQZZDHXZRY-DTWKUNHWSA-N	-1	1	305.356	-2.006	20	0		DAADMM
CN1C(=O)C[C@H]([N-]S(=O)(=O)C[C@H]2CN(C)CCO2)C1=O	ZINC000632313702	373715640	/nfs/dbraw/zinc/71/56/40/373715640.db2.gz	NCONRQZZDHXZRY-BDAKNGLRSA-N	-1	1	305.356	-2.006	20	0		DAADMM
COC(=O)[C@H]([N-]S(=O)(=O)N1C[C@H](C)OC[C@H]1C)[C@@H](C)O	ZINC000444191893	545781991	/nfs/dbraw/zinc/78/19/91/545781991.db2.gz	JBEFLGVGJNRATE-UTINFBMNSA-N	-1	1	310.372	-1.148	20	0		DAADMM
CC(C)C[C@H](CO)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000040795009	183135360	/nfs/dbraw/zinc/13/53/60/183135360.db2.gz	JFBXKZNEUAYVHP-SECBINFHSA-N	-1	1	319.383	-1.231	20	0		DAADMM
COC(=O)[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000042305981	183252313	/nfs/dbraw/zinc/25/23/13/183252313.db2.gz	QDONZISSYUNMBK-ZCFIWIBFSA-N	-1	1	305.312	-2.076	20	0		DAADMM
Cn1cnc(S(=O)(=O)[N-]CCN2CCNC(=O)C2)c1Cl	ZINC000272675366	130053147	/nfs/dbraw/zinc/05/31/47/130053147.db2.gz	LOYWCMPMSRKNCF-UHFFFAOYSA-N	-1	1	321.790	-1.216	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C(C)(C)CC(N)=O)c(=O)n(C)c1=O	ZINC000273396036	130115697	/nfs/dbraw/zinc/11/56/97/130115697.db2.gz	FMVVFZZQYBQOBY-UHFFFAOYSA-N	-1	1	318.355	-1.984	20	0		DAADMM
COCCN(C)S(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000274924000	130275638	/nfs/dbraw/zinc/27/56/38/130275638.db2.gz	NMUKJRXZCYQLOK-SECBINFHSA-N	-1	1	306.344	-1.182	20	0		DAADMM
CNC(=O)C1CN(C(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C1	ZINC000289029481	131353308	/nfs/dbraw/zinc/35/33/08/131353308.db2.gz	AVJDNFYJSFHRMH-ZDLGFXPLSA-N	-1	1	316.321	-1.515	20	0		DAADMM
COC(=O)C(C)(C)CS(=O)(=O)[N-][C@H]1CC(=O)N(C)C1=O	ZINC000289265473	131370013	/nfs/dbraw/zinc/37/00/13/131370013.db2.gz	VPXUTGBMXNRJRC-ZETCQYMHSA-N	-1	1	306.340	-1.138	20	0		DAADMM
CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000289456223	131388012	/nfs/dbraw/zinc/38/80/12/131388012.db2.gz	FZWXOPMIZDESEW-SFYZADRCSA-N	-1	1	305.356	-1.214	20	0		DAADMM
O=C(CS(=O)(=O)c1n[n-]c(C2CC2)n1)N1CCNC(=O)C1	ZINC000299237371	132094832	/nfs/dbraw/zinc/09/48/32/132094832.db2.gz	JCXYGCKVMLZLMI-UHFFFAOYSA-N	-1	1	313.339	-1.586	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C2(CO)CCC2)c(=O)n(C)c1=O	ZINC000164250432	132132232	/nfs/dbraw/zinc/13/22/32/132132232.db2.gz	GNBWBBSISTXIGY-UHFFFAOYSA-N	-1	1	303.340	-1.723	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]C[C@H]1CC[C@@H](C(N)=O)O1	ZINC000519648411	409386000	/nfs/dbraw/zinc/38/60/00/409386000.db2.gz	VZZSAGYQOUJGML-RQJHMYQMSA-N	-1	1	304.328	-1.124	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2C[C@H](O)C2(C)C)c(=O)n(C)c1=O	ZINC000130259355	409334571	/nfs/dbraw/zinc/33/45/71/409334571.db2.gz	NGODDLNMJUVFNQ-BDAKNGLRSA-N	-1	1	317.367	-1.478	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]C[C@H]1CN2CCN1CC2	ZINC000290658523	409407725	/nfs/dbraw/zinc/40/77/25/409407725.db2.gz	FMQBDQMJFKHNHN-VIFPVBQESA-N	-1	1	301.372	-1.157	20	0		DAADMM
COC(=O)[C@@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])CCO1	ZINC000343260835	409428640	/nfs/dbraw/zinc/42/86/40/409428640.db2.gz	LPDYITYTRRFWFB-JTQLQIEISA-N	-1	1	323.305	-1.083	20	0		DAADMM
O=C(CO)N1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1	ZINC000345096775	409432925	/nfs/dbraw/zinc/43/29/25/409432925.db2.gz	ITWIAFPCYQIOPE-UHFFFAOYSA-N	-1	1	322.321	-1.820	20	0		DAADMM
CCN(C(=O)CNC(=O)c1ncccc1[O-])[C@@H]1CC(=O)NC1=O	ZINC000352360563	409467259	/nfs/dbraw/zinc/46/72/59/409467259.db2.gz	GPCBAPUFTPAPNH-MRVPVSSYSA-N	-1	1	320.305	-1.219	20	0		DAADMM
CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CO)C(N)=O)o1	ZINC000352603881	409470384	/nfs/dbraw/zinc/47/03/84/409470384.db2.gz	PLEPJLHTUYRZOP-LURJTMIESA-N	-1	1	306.296	-1.419	20	0		DAADMM
Cn1ncc2c1[n-]cc(C(=O)N1CCN(CC(N)=O)CC1)c2=O	ZINC000355866783	409487446	/nfs/dbraw/zinc/48/74/46/409487446.db2.gz	UGHUGSMWXJRWQN-UHFFFAOYSA-N	-1	1	318.337	-1.083	20	0		DAADMM
COC(=O)[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])[C@H](C)O	ZINC000442920568	409588406	/nfs/dbraw/zinc/58/84/06/409588406.db2.gz	HCXJTDQRPBXYKV-XVKPBYJWSA-N	-1	1	311.294	-1.444	20	0		DAADMM
CC[C@@H](CCO)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000158889818	409591050	/nfs/dbraw/zinc/59/10/50/409591050.db2.gz	HTERHQJBIJMXII-QMMMGPOBSA-N	-1	1	305.356	-1.477	20	0		DAADMM
CNC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@@]1(OC(C)C)CCOC1	ZINC000659944465	409703381	/nfs/dbraw/zinc/70/33/81/409703381.db2.gz	UDOMZDPWFCYUEP-ZYHUDNBSSA-N	-1	1	324.399	-1.403	20	0		DAADMM
CNC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1	ZINC000659944464	409703673	/nfs/dbraw/zinc/70/36/73/409703673.db2.gz	UDOMZDPWFCYUEP-PWSUYJOCSA-N	-1	1	324.399	-1.403	20	0		DAADMM
CO[C@H](CS(=O)(=O)[N-][C@H]1CC(=O)N(C)C1=O)[C@@H]1CCOC1	ZINC000656983749	409676802	/nfs/dbraw/zinc/67/68/02/409676802.db2.gz	UDNLFFLRCHVPHV-KXUCPTDWSA-N	-1	1	320.367	-1.285	20	0		DAADMM
CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000657100030	409677026	/nfs/dbraw/zinc/67/70/26/409677026.db2.gz	NKBHXSAZVAHUJG-IVZWLZJFSA-N	-1	1	313.397	-1.103	20	0		DAADMM
CO[C@H](C)CS(=O)(=O)[N-][C@H]1CS(=O)(=O)C[C@H]1OC	ZINC000657100942	409677866	/nfs/dbraw/zinc/67/78/66/409677866.db2.gz	PCZUIWNLKDTSPS-HRDYMLBCSA-N	-1	1	301.386	-1.247	20	0		DAADMM
CO[C@H](C)CS(=O)(=O)[N-][C@H]1CS(=O)(=O)C[C@@H]1OC	ZINC000657100944	409678181	/nfs/dbraw/zinc/67/81/81/409678181.db2.gz	PCZUIWNLKDTSPS-VGMNWLOBSA-N	-1	1	301.386	-1.247	20	0		DAADMM
CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000657100032	409678988	/nfs/dbraw/zinc/67/89/88/409678988.db2.gz	NKBHXSAZVAHUJG-LPEHRKFASA-N	-1	1	313.397	-1.103	20	0		DAADMM
CO[C@H](C)CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@@H]1OC	ZINC000657100941	409679239	/nfs/dbraw/zinc/67/92/39/409679239.db2.gz	PCZUIWNLKDTSPS-HLTSFMKQSA-N	-1	1	301.386	-1.247	20	0		DAADMM
C[C@H]1NC(C(=O)Nc2nn[n-]n2)=NN(c2ccccc2)C1=O	ZINC000377716007	409747897	/nfs/dbraw/zinc/74/78/97/409747897.db2.gz	DTLFAYUAJQPPBC-SSDOTTSWSA-N	-1	1	300.282	-0.523	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])NCCNc1cnccn1	ZINC000343233912	409758494	/nfs/dbraw/zinc/75/84/94/409758494.db2.gz	TXTPKGQFLIYEEU-UHFFFAOYSA-N	-1	1	316.321	-0.465	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]CCS(=O)(=O)NC1CC1	ZINC000564130434	409811939	/nfs/dbraw/zinc/81/19/39/409811939.db2.gz	DUAXJEAWKKPXRB-UHFFFAOYSA-N	-1	1	324.384	-1.075	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCCn2ncnn2)o1	ZINC000353026094	262562525	/nfs/dbraw/zinc/56/25/25/262562525.db2.gz	KTMLVGDVZOETHU-UHFFFAOYSA-N	-1	1	300.300	-1.396	20	0		DAADMM
COC(=O)c1cn(CC(=O)N(C)C[C@H](C)c2nn[n-]n2)nn1	ZINC000358414799	262581965	/nfs/dbraw/zinc/58/19/65/262581965.db2.gz	QFHDKUNOAFWLLB-ZETCQYMHSA-N	-1	1	308.302	-1.160	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]c2ccc(O)nn2)c(=O)n(C)c1=O	ZINC000361852874	263217433	/nfs/dbraw/zinc/21/74/33/263217433.db2.gz	ZBCFLOCLPLZEBZ-UHFFFAOYSA-N	-1	1	313.295	-1.620	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2COCC2(C)C)c(=O)n(C)c1=O	ZINC000451961600	263226225	/nfs/dbraw/zinc/22/62/25/263226225.db2.gz	DOIGWXGCMFCNEK-VIFPVBQESA-N	-1	1	317.367	-1.213	20	0		DAADMM
NC(=O)[C@@]1(O)CCCN(C(=O)CNC(=O)c2ncccc2[O-])C1	ZINC000347667451	263227964	/nfs/dbraw/zinc/22/79/64/263227964.db2.gz	BPODKFMLQOTRBR-CQSZACIVSA-N	-1	1	322.321	-1.644	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N1CCS(=O)(=O)CC1	ZINC000343254014	263236063	/nfs/dbraw/zinc/23/60/63/263236063.db2.gz	REHKAIUMGINVEX-UHFFFAOYSA-N	-1	1	313.335	-1.226	20	0		DAADMM
Cn1ccnc1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000355092432	263239300	/nfs/dbraw/zinc/23/93/00/263239300.db2.gz	KBAMNYOPZYOMSN-UHFFFAOYSA-N	-1	1	313.339	-1.704	20	0		DAADMM
COC(=O)[C@]1(NC(=O)CNC(=O)c2ncccc2[O-])CCOC1	ZINC000352603216	263247470	/nfs/dbraw/zinc/24/74/70/263247470.db2.gz	GZEAWELFGXVIDE-AWEZNQCLSA-N	-1	1	323.305	-1.035	20	0		DAADMM
COC(=O)CCN(C)S(=O)(=O)[N-][C@@H](CF)C(=O)OC	ZINC000344972622	263253224	/nfs/dbraw/zinc/25/32/24/263253224.db2.gz	OCECDCZGLINYGV-ZETCQYMHSA-N	-1	1	300.308	-1.173	20	0		DAADMM
C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000351608835	263255263	/nfs/dbraw/zinc/25/52/63/263255263.db2.gz	OMZYFORPXWXGBX-WBSSQXGSSA-N	-1	1	317.367	-1.311	20	0		DAADMM
C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)O1	ZINC000416539101	263255458	/nfs/dbraw/zinc/25/54/58/263255458.db2.gz	XRVXJDHKGHNTMU-BDAKNGLRSA-N	-1	1	317.367	-1.070	20	0		DAADMM
COCCN(C)S(=O)(=O)[N-][C@@H](CC(=O)OC)C(=O)OC	ZINC000354615128	263255866	/nfs/dbraw/zinc/25/58/66/263255866.db2.gz	DAVHOSGZVFTQGY-QMMMGPOBSA-N	-1	1	312.344	-1.496	20	0		DAADMM
CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)C1=O	ZINC000331330062	263256560	/nfs/dbraw/zinc/25/65/60/263256560.db2.gz	HBDJKWUOPPXEJK-BDAKNGLRSA-N	-1	1	319.383	-1.082	20	0		DAADMM
C[C@H](C[S@@](C)=O)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000330843437	263262322	/nfs/dbraw/zinc/26/23/22/263262322.db2.gz	NDPFJJZAPDWSGI-QOLSBQFWSA-N	-1	1	323.396	-1.871	20	0		DAADMM
CNC(=O)CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000049154996	263263055	/nfs/dbraw/zinc/26/30/55/263263055.db2.gz	YHKAVZCPSQPJAG-UHFFFAOYSA-N	-1	1	304.328	-2.502	20	0		DAADMM
COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](O)C(=O)OC)o1	ZINC000343493543	263264923	/nfs/dbraw/zinc/26/49/23/263264923.db2.gz	AGSOVEFULJCFIF-ZCFIWIBFSA-N	-1	1	307.280	-1.122	20	0		DAADMM
CCOC(=O)[C@H](CO)[N-]S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1	ZINC000351967059	263267463	/nfs/dbraw/zinc/26/74/63/263267463.db2.gz	HTHYPFPOROIDHA-GUBZILKMSA-N	-1	1	310.372	-1.146	20	0		DAADMM
CC(C)[C@@H](NS(C)(=O)=O)C(=O)NC1(c2nn[n-]n2)CC1	ZINC000430314096	263270083	/nfs/dbraw/zinc/27/00/83/263270083.db2.gz	IRTLLKFXQXUTQD-SSDOTTSWSA-N	-1	1	302.360	-1.121	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@H](O)C(F)F)c(=O)n(C)c1=O	ZINC000228620541	263280512	/nfs/dbraw/zinc/28/05/12/263280512.db2.gz	DRGZYIZVXPXZLI-RXMQYKEDSA-N	-1	1	313.282	-2.012	20	0		DAADMM
NS(=O)(=O)c1cc(C(=O)NC2(c3nn[n-]n3)CC2)ccn1	ZINC000430328713	263286439	/nfs/dbraw/zinc/28/64/39/263286439.db2.gz	FQYWQEBWRNXQKO-UHFFFAOYSA-N	-1	1	309.311	-1.339	20	0		DAADMM
CN(C)S(=O)(=O)[N-]c1ccn(CC(=O)N2CCOCC2)n1	ZINC000359140164	263290436	/nfs/dbraw/zinc/29/04/36/263290436.db2.gz	FPDZSRQXMNAFPC-UHFFFAOYSA-N	-1	1	317.371	-1.040	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2O)c(=O)n(C)c1=O	ZINC000052005493	263294010	/nfs/dbraw/zinc/29/40/10/263294010.db2.gz	REEWRZWNGGTLSS-IUCAKERBSA-N	-1	1	317.367	-1.334	20	0		DAADMM
CN1CC(=O)N(CC(=O)NC2(c3nn[n-]n3)CCCC2)C1=O	ZINC000345513650	263294845	/nfs/dbraw/zinc/29/48/45/263294845.db2.gz	ZMIUYVRCZJRAOU-UHFFFAOYSA-N	-1	1	307.314	-1.021	20	0		DAADMM
C[C@H]1OCCN(C(=O)CNC(=O)c2ncccc2[O-])[C@@H]1C(N)=O	ZINC000348828948	263294856	/nfs/dbraw/zinc/29/48/56/263294856.db2.gz	RVEYWOIRHZAKKV-PELKAZGASA-N	-1	1	322.321	-1.382	20	0		DAADMM
Cn1ccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1	ZINC000358848646	263295885	/nfs/dbraw/zinc/29/58/85/263295885.db2.gz	BSJXYTHKFQBEGW-UHFFFAOYSA-N	-1	1	312.351	-1.099	20	0		DAADMM
C[C@H](CCO)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000097444420	263296382	/nfs/dbraw/zinc/29/63/82/263296382.db2.gz	CSZUVDOPRRKOGN-MRVPVSSYSA-N	-1	1	305.356	-1.619	20	0		DAADMM
NC(=O)N1CC[C@@H](NC(=O)CNC(=O)c2ncccc2[O-])C1	ZINC000352549484	263299895	/nfs/dbraw/zinc/29/98/95/263299895.db2.gz	BTDXNYNEGJRAGY-MRVPVSSYSA-N	-1	1	307.310	-1.214	20	0		DAADMM
C[C@@H](CCCO)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000094947021	263301059	/nfs/dbraw/zinc/30/10/59/263301059.db2.gz	WHDWJXWYSZNWCG-QMMMGPOBSA-N	-1	1	305.356	-1.477	20	0		DAADMM
NC(=O)N[C@@H]1CCN(C(=O)CNC(=O)c2ncccc2[O-])C1	ZINC000345203448	263301658	/nfs/dbraw/zinc/30/16/58/263301658.db2.gz	AOCMERARNSFIDP-MRVPVSSYSA-N	-1	1	307.310	-1.214	20	0		DAADMM
CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-][C@H](CO)C(=O)OC	ZINC000252371559	263302439	/nfs/dbraw/zinc/30/24/39/263302439.db2.gz	BJAVQXDQIVPDTH-RKDXNWHRSA-N	-1	1	324.355	-1.618	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@]2(O)CCOC2)c(=O)n(C)c1=O	ZINC000229633296	263303918	/nfs/dbraw/zinc/30/39/18/263303918.db2.gz	DBXVWCMHYSFZAW-NSHDSACASA-N	-1	1	319.339	-2.486	20	0		DAADMM
Cn1c(=O)ccn(CC(=O)NC2(c3nn[n-]n3)CCCC2)c1=O	ZINC000346354390	263310009	/nfs/dbraw/zinc/31/00/09/263310009.db2.gz	SOVKFZBQSVSLHL-UHFFFAOYSA-N	-1	1	319.325	-1.354	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@]2(C)CCCOC2)c(=O)n(C)c1=O	ZINC000329149026	263313063	/nfs/dbraw/zinc/31/30/63/263313063.db2.gz	QDOHDZHXBXWSNF-GFCCVEGCSA-N	-1	1	317.367	-1.069	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@]2(C)CCCO2)c(=O)n(C)c1=O	ZINC000408448003	263317538	/nfs/dbraw/zinc/31/75/38/263317538.db2.gz	MGLDEZJJNMUANZ-LBPRGKRZSA-N	-1	1	317.367	-1.069	20	0		DAADMM
COCCN(C)S(=O)(=O)[N-][C@H](CC(=O)OC)C(=O)OC	ZINC000354615125	263319631	/nfs/dbraw/zinc/31/96/31/263319631.db2.gz	DAVHOSGZVFTQGY-MRVPVSSYSA-N	-1	1	312.344	-1.496	20	0		DAADMM
Cn1ncc2c1[n-]cc(C(=O)NCCN1C(=O)CNC1=O)c2=O	ZINC000355578508	263322557	/nfs/dbraw/zinc/32/25/57/263322557.db2.gz	SYUGJPWZNUDJFC-UHFFFAOYSA-N	-1	1	318.293	-1.045	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001194754209	782044019	/nfs/dbraw/zinc/04/40/19/782044019.db2.gz	FLOHEGGYPKCVFX-SNVBAGLBSA-N	-1	1	324.385	-1.333	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CC3(C)CC3)C2)nc1=O	ZINC001194815808	782045961	/nfs/dbraw/zinc/04/59/61/782045961.db2.gz	MLCLMSRSOVRKBU-NXEZZACHSA-N	-1	1	309.370	-1.040	20	0		DAADMM
COC(=O)[C@@H](CC(N)=O)[N-]S(=O)(=O)C1CCC(=O)CC1	ZINC001194828016	782049250	/nfs/dbraw/zinc/04/92/50/782049250.db2.gz	VYMQUZLBXHMBBD-SECBINFHSA-N	-1	1	306.340	-1.166	20	0		DAADMM
CCC(=O)NCC(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001195274424	782062893	/nfs/dbraw/zinc/06/28/93/782062893.db2.gz	GGLUTSPZGQNDQK-UHFFFAOYSA-N	-1	1	324.385	-1.331	20	0		DAADMM
NC(=O)c1cc(=O)cc(C(=O)Nc2c(N)[nH]c(=O)[n-]c2=O)o1	ZINC001196191188	782093744	/nfs/dbraw/zinc/09/37/44/782093744.db2.gz	OOHRKKBFWXEGKU-UHFFFAOYSA-N	-1	1	307.222	-1.226	20	0		DAADMM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CO1	ZINC000571674789	336383805	/nfs/dbraw/zinc/38/38/05/336383805.db2.gz	BTRJTFRTXUCGJD-HTQZYQBOSA-N	-1	1	303.340	-1.460	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN(CCF)C[C@H]1O	ZINC001197000350	782119768	/nfs/dbraw/zinc/11/97/68/782119768.db2.gz	FGOQABAJBQVENJ-NXEZZACHSA-N	-1	1	314.317	-1.943	20	0		DAADMM
COCCn1cc(C(=O)Nc2c(N)[nH]c(=O)[n-]c2=O)cnc1=O	ZINC001197697860	782138646	/nfs/dbraw/zinc/13/86/46/782138646.db2.gz	BTDDRFJRJSRDSG-UHFFFAOYSA-N	-1	1	322.281	-1.075	20	0		DAADMM
C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H](C)CO	ZINC000158796953	525582835	/nfs/dbraw/zinc/58/28/35/525582835.db2.gz	DKVQSDWRTBLMFB-HTQZYQBOSA-N	-1	1	305.356	-1.621	20	0		DAADMM
C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1CCOC1	ZINC000266141365	525583279	/nfs/dbraw/zinc/58/32/79/525583279.db2.gz	CSOHLAIPJCHJOQ-RKDXNWHRSA-N	-1	1	317.367	-1.213	20	0		DAADMM
C[C@H](O)C[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000228207053	525816464	/nfs/dbraw/zinc/81/64/64/525816464.db2.gz	SVQQTUUJBBBVRK-YUMQZZPRSA-N	-1	1	305.356	-1.478	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCn2cccc2)c(=O)n(C)c1=O	ZINC000267230852	527289094	/nfs/dbraw/zinc/28/90/94/527289094.db2.gz	FOIWXRYWLFLDRM-UHFFFAOYSA-N	-1	1	312.351	-1.136	20	0		DAADMM
COC[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)OC	ZINC000272643897	536628976	/nfs/dbraw/zinc/62/89/76/536628976.db2.gz	DDVOYSFSBKOKSX-MRVPVSSYSA-N	-1	1	321.355	-1.976	20	0		DAADMM
CN(C)CCN1CCN(C(=O)C(=O)N=c2ncn(C)[n-]2)CC1=O	ZINC000651957760	545642171	/nfs/dbraw/zinc/64/21/71/545642171.db2.gz	KVVOMMWKLVEJSD-UHFFFAOYSA-N	-1	1	323.357	-2.592	20	0		DAADMM
CC[C@@]1([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCOC1	ZINC000682937443	545889339	/nfs/dbraw/zinc/88/93/39/545889339.db2.gz	LLCWTGQTZGMBDS-GFCCVEGCSA-N	-1	1	317.367	-1.069	20	0		DAADMM
C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@H](C)CO	ZINC000736036678	598971728	/nfs/dbraw/zinc/97/17/28/598971728.db2.gz	GDIMOWMZHBPZCI-RNFRBKRXSA-N	-1	1	309.330	-1.307	20	0		DAADMM
CN1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC1=O	ZINC000736867259	598971986	/nfs/dbraw/zinc/97/19/86/598971986.db2.gz	KMBONHRVLDMRBM-UHFFFAOYSA-N	-1	1	320.313	-2.458	20	0		DAADMM
CC[C@H](CCO)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736350336	598973852	/nfs/dbraw/zinc/97/38/52/598973852.db2.gz	LYLKONDJYIWHGG-SSDOTTSWSA-N	-1	1	309.330	-1.163	20	0		DAADMM
CS(=O)(=O)NCCNC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000737169359	599020627	/nfs/dbraw/zinc/02/06/27/599020627.db2.gz	URAVEAINZVDQQQ-UHFFFAOYSA-N	-1	1	311.327	-1.459	20	0		DAADMM
CS(=O)(=O)NCCNC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000737169359	599020628	/nfs/dbraw/zinc/02/06/28/599020628.db2.gz	URAVEAINZVDQQQ-UHFFFAOYSA-N	-1	1	311.327	-1.459	20	0		DAADMM
C[C@H](CC(N)=O)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000735987464	599118911	/nfs/dbraw/zinc/11/89/11/599118911.db2.gz	ZIDCICRPTVSKPV-RXMQYKEDSA-N	-1	1	308.302	-2.060	20	0		DAADMM
COC(=O)CNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000736931987	599138433	/nfs/dbraw/zinc/13/84/33/599138433.db2.gz	XKCKLCNWEIHMBA-UHFFFAOYSA-N	-1	1	320.265	-1.292	20	0		DAADMM
COC(=O)CNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000736931987	599138434	/nfs/dbraw/zinc/13/84/34/599138434.db2.gz	XKCKLCNWEIHMBA-UHFFFAOYSA-N	-1	1	320.265	-1.292	20	0		DAADMM
C[NH+](C)CCN(CC(=O)[O-])C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000739607222	596949211	/nfs/dbraw/zinc/94/92/11/596949211.db2.gz	QFHWNQOGTLAQOY-UHFFFAOYSA-N	-1	1	312.326	-1.599	20	0		DAADMM
O=C([O-])CNC(=O)CN1CCC[C@H](C(=O)N2CCOCC2)C1	ZINC000821530521	597767012	/nfs/dbraw/zinc/76/70/12/597767012.db2.gz	HIPBOROEAYFRDE-NSHDSACASA-N	-1	1	313.354	-1.242	20	0		DAADMM
O[C@H](CNc1nccnc1-c1nnn[n-]1)CN1CCOCC1	ZINC000738381010	598339349	/nfs/dbraw/zinc/33/93/49/598339349.db2.gz	FMDVXHYYUCLCGH-SECBINFHSA-N	-1	1	306.330	-1.238	20	0		DAADMM
O[C@H](CNc1nccnc1-c1nn[n-]n1)CN1CCOCC1	ZINC000738381010	598339351	/nfs/dbraw/zinc/33/93/51/598339351.db2.gz	FMDVXHYYUCLCGH-SECBINFHSA-N	-1	1	306.330	-1.238	20	0		DAADMM
NS(=O)(=O)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1	ZINC000737764244	598342671	/nfs/dbraw/zinc/34/26/71/598342671.db2.gz	IYIWJVIJXSHJGK-SSDOTTSWSA-N	-1	1	310.343	-1.086	20	0		DAADMM
NS(=O)(=O)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1	ZINC000737764244	598342670	/nfs/dbraw/zinc/34/26/70/598342670.db2.gz	IYIWJVIJXSHJGK-SSDOTTSWSA-N	-1	1	310.343	-1.086	20	0		DAADMM
COCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1	ZINC000736966085	598345673	/nfs/dbraw/zinc/34/56/73/598345673.db2.gz	KHPSKZVEHCYZLT-UHFFFAOYSA-N	-1	1	304.314	-1.048	20	0		DAADMM
COCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1	ZINC000736966085	598345674	/nfs/dbraw/zinc/34/56/74/598345674.db2.gz	KHPSKZVEHCYZLT-UHFFFAOYSA-N	-1	1	304.314	-1.048	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCCOC2)n(C)c1=O	ZINC000737595059	598365159	/nfs/dbraw/zinc/36/51/59/598365159.db2.gz	DTIBVHVZCMGXTK-SSDOTTSWSA-N	-1	1	307.314	-1.145	20	0		DAADMM
O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)Nc1nnn[n-]1	ZINC000737890228	598605216	/nfs/dbraw/zinc/60/52/16/598605216.db2.gz	WDHKYRZSOBUTKI-UHFFFAOYSA-N	-1	1	314.269	-1.252	20	0		DAADMM
O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)Nc1nn[n-]n1	ZINC000737890228	598605217	/nfs/dbraw/zinc/60/52/17/598605217.db2.gz	WDHKYRZSOBUTKI-UHFFFAOYSA-N	-1	1	314.269	-1.252	20	0		DAADMM
O=C1OCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000738319998	598614823	/nfs/dbraw/zinc/61/48/23/598614823.db2.gz	QVSFLNUAMPBLRQ-QMMMGPOBSA-N	-1	1	310.295	-1.145	20	0		DAADMM
O=C1OCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000738319998	598614824	/nfs/dbraw/zinc/61/48/24/598614824.db2.gz	QVSFLNUAMPBLRQ-QMMMGPOBSA-N	-1	1	310.295	-1.145	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NCC2(O)CCC2)n(C)c1=O	ZINC000737595895	598628810	/nfs/dbraw/zinc/62/88/10/598628810.db2.gz	LZJSHAVRXGNGQG-UHFFFAOYSA-N	-1	1	307.314	-1.409	20	0		DAADMM
CCC[C@H](O)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736434047	598774634	/nfs/dbraw/zinc/77/46/34/598774634.db2.gz	CIUVJAGALKKVJF-ZETCQYMHSA-N	-1	1	309.330	-1.163	20	0		DAADMM
CC(C)NC(=O)CN1CCN(CCC(=O)NCC(=O)[O-])CC1	ZINC000736477417	600286130	/nfs/dbraw/zinc/28/61/30/600286130.db2.gz	KVHKAPQUZTZABR-UHFFFAOYSA-N	-1	1	314.386	-1.281	20	0		DAADMM
Cn1ccnc(N2CCN(CCC(=O)NCC(=O)[O-])CC2)c1=O	ZINC000833059819	600801283	/nfs/dbraw/zinc/80/12/83/600801283.db2.gz	YXSIKGAFJIMJTJ-UHFFFAOYSA-N	-1	1	323.353	-1.507	20	0		DAADMM
COCCN(CCNS(=O)(=O)c1cnn(C)c1)CC(=O)[O-]	ZINC000831735183	600829835	/nfs/dbraw/zinc/82/98/35/600829835.db2.gz	LWAMWYBLHVLIGD-UHFFFAOYSA-N	-1	1	320.371	-1.269	20	0		DAADMM
CCN1CCN(CC(=O)N[C@@H](CC(=O)[O-])C(=O)OC)CC1	ZINC000829776639	600877287	/nfs/dbraw/zinc/87/72/87/600877287.db2.gz	RTZYYZUUKRZATI-JTQLQIEISA-N	-1	1	301.343	-1.244	20	0		DAADMM
CN(CC(=O)[O-])C(=O)CCN1CCC[C@H](S(N)(=O)=O)C1	ZINC000830691693	601002160	/nfs/dbraw/zinc/00/21/60/601002160.db2.gz	BCGOJXUFEUKKFU-VIFPVBQESA-N	-1	1	307.372	-1.328	20	0		DAADMM
O=C([O-])/C=C1\SCC(=O)N1CCCN1C[C@@H](O)[C@@H](O)C1	ZINC000833196523	601155940	/nfs/dbraw/zinc/15/59/40/601155940.db2.gz	VUBUCJXOZIZOFA-ZGVDTZBUSA-N	-1	1	302.352	-1.085	20	0		DAADMM
C[C@H](CN1CCN(C)CC1)NS(=O)(=O)N(C)CCC(=O)[O-]	ZINC000827461514	601259932	/nfs/dbraw/zinc/25/99/32/601259932.db2.gz	ZXKLAXYBDQOUQI-LLVKDONJSA-N	-1	1	322.431	-1.137	20	0		DAADMM
C[C@@H](CNS(=O)(=O)N(C)CCC(=O)[O-])N1CCN(C)CC1	ZINC000827501701	601263393	/nfs/dbraw/zinc/26/33/93/601263393.db2.gz	ATNBITHHELCVRQ-NSHDSACASA-N	-1	1	322.431	-1.137	20	0		DAADMM
O=C(NC[C@@H]1CN2CCN1CC2)c1ccc(-c2nn[n-]n2)nc1	ZINC000826435240	607587877	/nfs/dbraw/zinc/58/78/77/607587877.db2.gz	JSRIDWRHSVMYHJ-LLVKDONJSA-N	-1	1	314.353	-1.009	20	0		DAADMM
O=C([O-])N1CCOC[C@@H]1C(=O)N1CCO[C@H](c2nn[nH]n2)C1	ZINC000740347251	602898030	/nfs/dbraw/zinc/89/80/30/602898030.db2.gz	ILQBLUROSOHZPY-SFYZADRCSA-N	-1	1	312.286	-1.522	20	0		DAADMM
CN1CCN(C)[C@@H](CNC(=O)[C@@H]2COCCN2C(=O)[O-])C1	ZINC000739735831	602901413	/nfs/dbraw/zinc/90/14/13/602901413.db2.gz	VPCWCICVVHFKLI-QWRGUYRKSA-N	-1	1	300.359	-1.273	20	0		DAADMM
O=C([O-])NCCN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1	ZINC000740659011	602929723	/nfs/dbraw/zinc/92/97/23/602929723.db2.gz	OSGWCSFGTWXAKD-VHSXEESVSA-N	-1	1	307.372	-1.659	20	0		DAADMM
C[C@H](CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])N1CCN(C)CC1	ZINC000738917919	603097790	/nfs/dbraw/zinc/09/77/90/603097790.db2.gz	ZHWFJXVKXYKVBL-GRYCIOLGSA-N	-1	1	314.386	-1.148	20	0		DAADMM
CN1CCN(CCNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1	ZINC000739736210	603131948	/nfs/dbraw/zinc/13/19/48/603131948.db2.gz	CPDRKNZDPDMJPH-GHMZBOCLSA-N	-1	1	300.359	-1.537	20	0		DAADMM
CN(CCC(=O)[O-])S(=O)(=O)NCC1(O)CCN(C)CC1	ZINC000397624444	605038325	/nfs/dbraw/zinc/03/83/25/605038325.db2.gz	XLCAKJXXLKXIAP-UHFFFAOYSA-N	-1	1	309.388	-1.316	20	0		DAADMM
O=C([O-])NCC(=O)NCC(=O)N1CCC(c2nc[nH]n2)CC1	ZINC000834192360	605350508	/nfs/dbraw/zinc/35/05/08/605350508.db2.gz	FZKNPFFJQDIPEE-UHFFFAOYSA-N	-1	1	310.314	-1.106	20	0		DAADMM
O=C([O-])NCC(=O)NCC(=O)N1CCO[C@H](c2nn[nH]n2)C1	ZINC000834194054	605380716	/nfs/dbraw/zinc/38/07/16/605380716.db2.gz	JVCGIPNGEJFUQN-LURJTMIESA-N	-1	1	313.274	-2.517	20	0		DAADMM
C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CCN1CCC(=O)[O-]	ZINC000833623535	605473097	/nfs/dbraw/zinc/47/30/97/605473097.db2.gz	QSSVXCUNTMKIKS-SNVBAGLBSA-N	-1	1	311.342	-1.411	20	0		DAADMM
CCn1cc(-c2nn[n-]n2)c(=O)n(CCOCCOC)c1=O	ZINC000821565565	606203836	/nfs/dbraw/zinc/20/38/36/606203836.db2.gz	ZDZCPYZRSWIPHR-UHFFFAOYSA-N	-1	1	310.314	-1.127	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)N(CCO)CCCO)n1	ZINC000822604889	606345307	/nfs/dbraw/zinc/34/53/07/606345307.db2.gz	OKZZDGGVWBQQQA-UHFFFAOYSA-N	-1	1	310.318	-1.191	20	0		DAADMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)N(CCO)CCCO)n1	ZINC000822604889	606345305	/nfs/dbraw/zinc/34/53/05/606345305.db2.gz	OKZZDGGVWBQQQA-UHFFFAOYSA-N	-1	1	310.318	-1.191	20	0		DAADMM
CO[C@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1	ZINC000821697481	606425473	/nfs/dbraw/zinc/42/54/73/606425473.db2.gz	BRPZXGJSQGKWDQ-ZETCQYMHSA-N	-1	1	307.314	-1.511	20	0		DAADMM
COC[C@@H]1CCCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000821684477	606425479	/nfs/dbraw/zinc/42/54/79/606425479.db2.gz	AVXGKUADQAUFLP-QMMMGPOBSA-N	-1	1	321.341	-1.121	20	0		DAADMM
COC[C@H]1CCCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000821684476	606425759	/nfs/dbraw/zinc/42/57/59/606425759.db2.gz	AVXGKUADQAUFLP-MRVPVSSYSA-N	-1	1	321.341	-1.121	20	0		DAADMM
CO[C@@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1	ZINC000821697480	606425831	/nfs/dbraw/zinc/42/58/31/606425831.db2.gz	BRPZXGJSQGKWDQ-SSDOTTSWSA-N	-1	1	307.314	-1.511	20	0		DAADMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCO[C@H](C(N)=O)C2)n1	ZINC000822609101	606596129	/nfs/dbraw/zinc/59/61/29/606596129.db2.gz	JPGDRCHHGVXLNH-ZETCQYMHSA-N	-1	1	321.301	-1.682	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCO[C@H](C(N)=O)C2)n1	ZINC000822609101	606596131	/nfs/dbraw/zinc/59/61/31/606596131.db2.gz	JPGDRCHHGVXLNH-ZETCQYMHSA-N	-1	1	321.301	-1.682	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N(CCCO)C2CC2)n(C)c1=O	ZINC000822599890	606643826	/nfs/dbraw/zinc/64/38/26/606643826.db2.gz	HWMUATLSSGYZIW-UHFFFAOYSA-N	-1	1	321.341	-1.385	20	0		DAADMM
C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(N)=O	ZINC000820788614	606785151	/nfs/dbraw/zinc/78/51/51/606785151.db2.gz	KOYFBAWBFHKEDI-QMMMGPOBSA-N	-1	1	303.330	-1.348	20	0		DAADMM
C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(N)=O	ZINC000820788614	606785152	/nfs/dbraw/zinc/78/51/52/606785152.db2.gz	KOYFBAWBFHKEDI-QMMMGPOBSA-N	-1	1	303.330	-1.348	20	0		DAADMM
C[C@@H](NC(=O)Cn1cccc(-c2nn[n-]n2)c1=O)C(=O)N(C)C	ZINC000820334048	606824649	/nfs/dbraw/zinc/82/46/49/606824649.db2.gz	JPPFSRAJQFEZHP-MRVPVSSYSA-N	-1	1	319.325	-1.379	20	0		DAADMM
CC[C@H](O)CCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000820932545	606879851	/nfs/dbraw/zinc/87/98/51/606879851.db2.gz	ORDREFVEAXMXEL-ZETCQYMHSA-N	-1	1	309.330	-1.163	20	0		DAADMM
C[C@H]1C(=O)NCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1	ZINC000820643836	606956217	/nfs/dbraw/zinc/95/62/17/606956217.db2.gz	ZSYJQOVBPWEWTB-LURJTMIESA-N	-1	1	305.302	-1.048	20	0		DAADMM
C[C@H]1C(=O)NCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1	ZINC000820643836	606956218	/nfs/dbraw/zinc/95/62/18/606956218.db2.gz	ZSYJQOVBPWEWTB-LURJTMIESA-N	-1	1	305.302	-1.048	20	0		DAADMM
Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)N2CCOCC2)n1	ZINC000822620472	607003234	/nfs/dbraw/zinc/00/32/34/607003234.db2.gz	SBYOFHHFNMWPEV-UHFFFAOYSA-N	-1	1	314.331	-1.411	20	0		DAADMM
O=S(=O)(NCCn1ncnn1)c1ccc(-c2nnn[n-]2)nc1	ZINC000823578094	607006203	/nfs/dbraw/zinc/00/62/03/607006203.db2.gz	HXAOCDVDBNGGSA-UHFFFAOYSA-N	-1	1	322.314	-1.773	20	0		DAADMM
O=S(=O)(NCCn1ncnn1)c1ccc(-c2nn[n-]n2)nc1	ZINC000823578094	607006205	/nfs/dbraw/zinc/00/62/05/607006205.db2.gz	HXAOCDVDBNGGSA-UHFFFAOYSA-N	-1	1	322.314	-1.773	20	0		DAADMM
O=C1NC[C@@H]2CN(c3cccc(-c4nnn[n-]4)n3)CCN2C1=O	ZINC000823546701	607174003	/nfs/dbraw/zinc/17/40/03/607174003.db2.gz	DNCNJFBNZUUFFI-MRVPVSSYSA-N	-1	1	314.309	-1.591	20	0		DAADMM
O=C1NC[C@@H]2CN(c3cccc(-c4nn[n-]n4)n3)CCN2C1=O	ZINC000823546701	607174004	/nfs/dbraw/zinc/17/40/04/607174004.db2.gz	DNCNJFBNZUUFFI-MRVPVSSYSA-N	-1	1	314.309	-1.591	20	0		DAADMM
CC(C)CN(CC(N)=O)C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000820087706	607206860	/nfs/dbraw/zinc/20/68/60/607206860.db2.gz	XNNNLDGJLBSMGM-UHFFFAOYSA-N	-1	1	307.318	-1.572	20	0		DAADMM
C[C@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)N1CCOCC1	ZINC000820260256	607206892	/nfs/dbraw/zinc/20/68/92/607206892.db2.gz	GPYOLCCNRZWGGF-SECBINFHSA-N	-1	1	321.345	-1.705	20	0		DAADMM
CNC(=O)[C@H]1CCCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821631681	607207556	/nfs/dbraw/zinc/20/75/56/607207556.db2.gz	PPYQDELXKFICFD-MRVPVSSYSA-N	-1	1	319.329	-1.415	20	0		DAADMM
CCCN(CC(=O)NC)C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821087952	607209576	/nfs/dbraw/zinc/20/95/76/607209576.db2.gz	IDUBLNLATUGCLM-UHFFFAOYSA-N	-1	1	307.318	-1.557	20	0		DAADMM
CCN(CCC(=O)OC)C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821206549	607209600	/nfs/dbraw/zinc/20/96/00/607209600.db2.gz	CTSAKNJBUURJRK-UHFFFAOYSA-N	-1	1	308.302	-1.130	20	0		DAADMM
CCCN(CC(=O)N(C)C)C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821088143	607209639	/nfs/dbraw/zinc/20/96/39/607209639.db2.gz	KHAVFCKIGKRSAP-UHFFFAOYSA-N	-1	1	321.345	-1.215	20	0		DAADMM
CC(C)[C@@H]1C(=O)NCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000820038356	607213121	/nfs/dbraw/zinc/21/31/21/607213121.db2.gz	MSPRYVUDYYJHML-SECBINFHSA-N	-1	1	319.329	-1.559	20	0		DAADMM
CN(CCN1CCOCC1)C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821602491	607213522	/nfs/dbraw/zinc/21/35/22/607213522.db2.gz	FEWZYMAOSMFAOH-UHFFFAOYSA-N	-1	1	321.345	-1.751	20	0		DAADMM
CCOC(=O)C(C)(C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821315409	607213637	/nfs/dbraw/zinc/21/36/37/607213637.db2.gz	SYNGAOWBBRUNQD-UHFFFAOYSA-N	-1	1	308.302	-1.084	20	0		DAADMM
CC1(C)C(=O)NCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000820578203	607214108	/nfs/dbraw/zinc/21/41/08/607214108.db2.gz	XYLPJFZRWZYMHT-UHFFFAOYSA-N	-1	1	305.302	-1.805	20	0		DAADMM
CC[C@@H]1C(=O)NCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000820966983	607214970	/nfs/dbraw/zinc/21/49/70/607214970.db2.gz	JLPZNQYFUHKCCP-SSDOTTSWSA-N	-1	1	305.302	-1.805	20	0		DAADMM
CCCCOC(=O)CNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821071588	607214997	/nfs/dbraw/zinc/21/49/97/607214997.db2.gz	JNTVSODCYAFKCX-UHFFFAOYSA-N	-1	1	308.302	-1.082	20	0		DAADMM
CCOC(=O)CCN(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821326005	607216828	/nfs/dbraw/zinc/21/68/28/607216828.db2.gz	QRJYRIZAOQNFSB-UHFFFAOYSA-N	-1	1	308.302	-1.130	20	0		DAADMM
COC(=O)[C@H](C)CN(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821639420	607217009	/nfs/dbraw/zinc/21/70/09/607217009.db2.gz	YJLDVHCUEFSKBZ-SSDOTTSWSA-N	-1	1	308.302	-1.274	20	0		DAADMM
COC(=O)[C@@H](C)CN(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821639421	607217054	/nfs/dbraw/zinc/21/70/54/607217054.db2.gz	YJLDVHCUEFSKBZ-ZETCQYMHSA-N	-1	1	308.302	-1.274	20	0		DAADMM
COC(=O)[C@](C)(NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC1	ZINC000821638998	607218136	/nfs/dbraw/zinc/21/81/36/607218136.db2.gz	MSRTZHUACSLFSV-GFCCVEGCSA-N	-1	1	320.313	-1.084	20	0		DAADMM
COC(=O)[C@@]1(F)CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1	ZINC000821653648	607220832	/nfs/dbraw/zinc/22/08/32/607220832.db2.gz	GRARDOQESLLSPE-LLVKDONJSA-N	-1	1	324.276	-1.428	20	0		DAADMM
COC(=O)[C@@H]1COCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821656854	607220956	/nfs/dbraw/zinc/22/09/56/607220956.db2.gz	ARJHZZHMUCFVAX-ZETCQYMHSA-N	-1	1	322.285	-2.141	20	0		DAADMM
CCOC(=O)[C@@H](C)CNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821313830	607221449	/nfs/dbraw/zinc/22/14/49/607221449.db2.gz	IMDLLOGCTKVBPC-ZETCQYMHSA-N	-1	1	308.302	-1.226	20	0		DAADMM
COC(=O)C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC1	ZINC000821657336	607222298	/nfs/dbraw/zinc/22/22/98/607222298.db2.gz	MEVBELKDBRJBEN-QMMMGPOBSA-N	-1	1	320.313	-1.084	20	0		DAADMM
CC1(C)OC[C@@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)O1	ZINC000820607574	607223547	/nfs/dbraw/zinc/22/35/47/607223547.db2.gz	WIOFVTMYTUHHTE-SSDOTTSWSA-N	-1	1	308.302	-1.274	20	0		DAADMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@]2(O)CCOC2)n1	ZINC000826357146	607857438	/nfs/dbraw/zinc/85/74/38/607857438.db2.gz	SVYUQGKLWUXSBK-NSHDSACASA-N	-1	1	308.302	-1.127	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@]2(O)CCOC2)n1	ZINC000826357146	607857439	/nfs/dbraw/zinc/85/74/39/607857439.db2.gz	SVYUQGKLWUXSBK-NSHDSACASA-N	-1	1	308.302	-1.127	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(=O)n(CC[C@@H]2CCOC2=O)c1=O	ZINC000826356388	608095957	/nfs/dbraw/zinc/09/59/57/608095957.db2.gz	OLYHNDSPRVXEHV-SSDOTTSWSA-N	-1	1	306.282	-1.320	20	0		DAADMM
CCOCCNC(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O	ZINC000825600002	608096044	/nfs/dbraw/zinc/09/60/44/608096044.db2.gz	WCZXMRGNTJNUBN-UHFFFAOYSA-N	-1	1	323.313	-2.120	20	0		DAADMM
CC(C)n1nnnc1Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O	ZINC000824377634	608096083	/nfs/dbraw/zinc/09/60/83/608096083.db2.gz	JIKUYEYBSDQZNH-UHFFFAOYSA-N	-1	1	318.301	-1.657	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@](C)(O)C2)n(C)c1=O	ZINC000826355499	608305382	/nfs/dbraw/zinc/30/53/82/608305382.db2.gz	CDCHDNWWNYOMAG-CYBMUJFWSA-N	-1	1	321.341	-1.385	20	0		DAADMM
O=S1(=O)CCN(CCNc2ccc(-c3nnn[n-]3)nn2)CC1	ZINC000826496901	608397315	/nfs/dbraw/zinc/39/73/15/608397315.db2.gz	NGEKKCRDDUNUHD-UHFFFAOYSA-N	-1	1	324.370	-1.201	20	0		DAADMM
O=S1(=O)CCN(CCNc2ccc(-c3nn[n-]n3)nn2)CC1	ZINC000826496901	608397316	/nfs/dbraw/zinc/39/73/16/608397316.db2.gz	NGEKKCRDDUNUHD-UHFFFAOYSA-N	-1	1	324.370	-1.201	20	0		DAADMM
CN(C[C@H](O)CN1CCOCC1)c1ccc(-c2nn[n-]n2)nn1	ZINC000825901127	608430421	/nfs/dbraw/zinc/43/04/21/608430421.db2.gz	AWQOTVYNRWRFMV-JTQLQIEISA-N	-1	1	320.357	-1.214	20	0		DAADMM
CN(C[C@@H](O)CN1CCOCC1)c1ccc(-c2nn[n-]n2)nn1	ZINC000825901130	608430481	/nfs/dbraw/zinc/43/04/81/608430481.db2.gz	AWQOTVYNRWRFMV-SNVBAGLBSA-N	-1	1	320.357	-1.214	20	0		DAADMM
C[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@@H]1O	ZINC000824991484	608554658	/nfs/dbraw/zinc/55/46/58/608554658.db2.gz	BLQIGEQPFHOREU-BQBZGAKWSA-N	-1	1	307.314	-1.919	20	0		DAADMM
C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)S(N)(=O)=O	ZINC000824427820	608564590	/nfs/dbraw/zinc/56/45/90/608564590.db2.gz	PPJWFNHOPLRCJL-ZCFIWIBFSA-N	-1	1	311.327	-1.332	20	0		DAADMM
C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)S(N)(=O)=O	ZINC000824427820	608564591	/nfs/dbraw/zinc/56/45/91/608564591.db2.gz	PPJWFNHOPLRCJL-ZCFIWIBFSA-N	-1	1	311.327	-1.332	20	0		DAADMM
C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)S(N)(=O)=O	ZINC000824427819	608564655	/nfs/dbraw/zinc/56/46/55/608564655.db2.gz	PPJWFNHOPLRCJL-LURJTMIESA-N	-1	1	311.327	-1.332	20	0		DAADMM
C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)S(N)(=O)=O	ZINC000824427819	608564656	/nfs/dbraw/zinc/56/46/56/608564656.db2.gz	PPJWFNHOPLRCJL-LURJTMIESA-N	-1	1	311.327	-1.332	20	0		DAADMM
COC[C@@H](C)NC(=O)NC(=O)Cn1ccnc1-c1nnn[n-]1	ZINC000826148382	608887932	/nfs/dbraw/zinc/88/79/32/608887932.db2.gz	HEEBKXHGAPXLHD-SSDOTTSWSA-N	-1	1	308.302	-1.076	20	0		DAADMM
COC[C@@H](C)NC(=O)NC(=O)Cn1ccnc1-c1nn[n-]n1	ZINC000826148382	608887934	/nfs/dbraw/zinc/88/79/34/608887934.db2.gz	HEEBKXHGAPXLHD-SSDOTTSWSA-N	-1	1	308.302	-1.076	20	0		DAADMM
CN(C)C(=O)NCCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1	ZINC000825846154	609353887	/nfs/dbraw/zinc/35/38/87/609353887.db2.gz	TYLOUHXXARMFRT-UHFFFAOYSA-N	-1	1	322.333	-1.007	20	0		DAADMM
CN(C)C(=O)NCCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1	ZINC000825846154	609353888	/nfs/dbraw/zinc/35/38/88/609353888.db2.gz	TYLOUHXXARMFRT-UHFFFAOYSA-N	-1	1	322.333	-1.007	20	0		DAADMM
CC[C@](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)(C(N)=O)C(C)C	ZINC000825133027	609433124	/nfs/dbraw/zinc/43/31/24/609433124.db2.gz	HMDKSIOGMIFIQZ-GFCCVEGCSA-N	-1	1	321.345	-1.136	20	0		DAADMM
Cc1onc(CC(=O)N[C@H]2CN(C)NC2=O)c1-c1nnn[n-]1	ZINC000826346478	609470698	/nfs/dbraw/zinc/47/06/98/609470698.db2.gz	NQEZGTKLVKEYPZ-ZETCQYMHSA-N	-1	1	306.286	-1.833	20	0		DAADMM
Cc1onc(CC(=O)N[C@H]2CN(C)NC2=O)c1-c1nn[n-]n1	ZINC000826346478	609470700	/nfs/dbraw/zinc/47/07/00/609470700.db2.gz	NQEZGTKLVKEYPZ-ZETCQYMHSA-N	-1	1	306.286	-1.833	20	0		DAADMM
C[C@H](O)[C@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1	ZINC000824687964	609568645	/nfs/dbraw/zinc/56/86/45/609568645.db2.gz	HSBJURDKMHCBTB-YUMQZZPRSA-N	-1	1	321.341	-1.529	20	0		DAADMM
COCCO[N-]C(=O)C(=O)NC[C@@H]1CCCN1CCOC	ZINC000804353182	663844650	/nfs/dbraw/zinc/84/46/50/663844650.db2.gz	VWSHNQRIGDGJKH-NSHDSACASA-N	-1	1	303.359	-1.092	20	0		DAADMM
Cn1nncc1CN[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000969211502	662308495	/nfs/dbraw/zinc/30/84/95/662308495.db2.gz	CKJRMTYGPRRKGX-SSDOTTSWSA-N	-1	1	320.313	-1.584	20	0		DAADMM
CN1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(=O)n(C)[n-]3)C2)C1=O	ZINC001020484674	662313668	/nfs/dbraw/zinc/31/36/68/662313668.db2.gz	MGUVZLHYOYIGQT-OPRDCNLKSA-N	-1	1	322.369	-1.677	20	0		DAADMM
C[C@H](NC(=O)c1ncn(C)n1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000969595600	662323514	/nfs/dbraw/zinc/32/35/14/662323514.db2.gz	AFZUHXKKFNJPFR-QMMMGPOBSA-N	-1	1	320.357	-1.513	20	0		DAADMM
C[C@@]1(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)CCC(=O)N1	ZINC000969849520	662333095	/nfs/dbraw/zinc/33/30/95/662333095.db2.gz	BFPMXVBAWOTVOC-OQPBUACISA-N	-1	1	308.342	-1.131	20	0		DAADMM
Cn1ncnc1CN[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001020983896	662345999	/nfs/dbraw/zinc/34/59/99/662345999.db2.gz	YDFMCJSSBJPFFR-ZKCHVHJHSA-N	-1	1	322.329	-1.745	20	0		DAADMM
C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000970355547	662359581	/nfs/dbraw/zinc/35/95/81/662359581.db2.gz	ZICMTKGRKATAFU-VXNVDRBHSA-N	-1	1	323.357	-2.274	20	0		DAADMM
C[C@H](NC(=O)c1cnn(C)n1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000970570196	662364224	/nfs/dbraw/zinc/36/42/24/662364224.db2.gz	IDLNTARZACVAAR-QMMMGPOBSA-N	-1	1	320.357	-1.513	20	0		DAADMM
Cn1nc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)ccc1=O	ZINC000970651498	662366608	/nfs/dbraw/zinc/36/66/08/662366608.db2.gz	OYKYXFNYIFMMPB-MRVPVSSYSA-N	-1	1	319.325	-1.392	20	0		DAADMM
C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000970760997	662370081	/nfs/dbraw/zinc/37/00/81/662370081.db2.gz	SVXHDRAFBQXPJK-SCZZXKLOSA-N	-1	1	322.369	-1.677	20	0		DAADMM
Cn1cc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)n(C)c1=O	ZINC000970820211	662372049	/nfs/dbraw/zinc/37/20/49/662372049.db2.gz	ZOZXUPRNBPKTHD-MRVPVSSYSA-N	-1	1	321.341	-1.448	20	0		DAADMM
NC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000970868087	662373470	/nfs/dbraw/zinc/37/34/70/662373470.db2.gz	SDWTZKHKDBXFDB-BDAKNGLRSA-N	-1	1	323.357	-1.256	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)nc1=O	ZINC001010843031	662376568	/nfs/dbraw/zinc/37/65/68/662376568.db2.gz	QJMTWEJSNVCVST-YUMQZZPRSA-N	-1	1	310.314	-2.093	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)nc1=O	ZINC001021661072	662377573	/nfs/dbraw/zinc/37/75/73/662377573.db2.gz	JYONCJDRLXDXIF-UWVGGRQHSA-N	-1	1	322.369	-1.593	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1	ZINC000971205597	662379584	/nfs/dbraw/zinc/37/95/84/662379584.db2.gz	VRBCTMJVIATLGB-VHSXEESVSA-N	-1	1	322.369	-1.580	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)c3csnn3)CC2)nc1=O	ZINC000949513054	662381489	/nfs/dbraw/zinc/38/14/89/662381489.db2.gz	LJDJYCXNXOCBRM-UHFFFAOYSA-N	-1	1	309.355	-1.082	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)Cn2nccn2)C1	ZINC000971608243	662386125	/nfs/dbraw/zinc/38/61/25/662386125.db2.gz	LBQNOAGIXAZMED-SNVBAGLBSA-N	-1	1	320.357	-1.567	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1	ZINC000971724356	662389099	/nfs/dbraw/zinc/38/90/99/662389099.db2.gz	BFWBMCOBVIRRKW-SECBINFHSA-N	-1	1	324.385	-1.347	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)nc1=O	ZINC001038222372	662389750	/nfs/dbraw/zinc/38/97/50/662389750.db2.gz	PPOASGVSGFTEAD-YUMQZZPRSA-N	-1	1	310.314	-2.093	20	0		DAADMM
CCn1ncc(C(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)n1	ZINC001038228639	662392512	/nfs/dbraw/zinc/39/25/12/662392512.db2.gz	AXLQHMCWWDQBDZ-SECBINFHSA-N	-1	1	320.357	-1.276	20	0		DAADMM
C[C@@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000971866326	662393057	/nfs/dbraw/zinc/39/30/57/662393057.db2.gz	CFZGRMIKNDBJRJ-NKWVEPMBSA-N	-1	1	310.314	-1.697	20	0		DAADMM
CC[C@@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000971869619	662393135	/nfs/dbraw/zinc/39/31/35/662393135.db2.gz	LSKTUJJJECEZBP-SFYZADRCSA-N	-1	1	324.341	-1.307	20	0		DAADMM
C[C@@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1	ZINC000972062666	662399183	/nfs/dbraw/zinc/39/91/83/662399183.db2.gz	DCBDTFSUSHUKAF-DTWKUNHWSA-N	-1	1	323.353	-1.494	20	0		DAADMM
C[C@H](C(N)=O)N(C)[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1	ZINC000972062665	662399253	/nfs/dbraw/zinc/39/92/53/662399253.db2.gz	DCBDTFSUSHUKAF-BDAKNGLRSA-N	-1	1	323.353	-1.494	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1	ZINC000972111938	662400683	/nfs/dbraw/zinc/40/06/83/662400683.db2.gz	IZALVYAVDFSCKB-MRVPVSSYSA-N	-1	1	321.345	-2.022	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@]23C[C@H]2COC3)nc1=O	ZINC001038272732	662447621	/nfs/dbraw/zinc/44/76/21/662447621.db2.gz	VZQZMIMXCQTWGR-RBZYPMLTSA-N	-1	1	307.354	-1.165	20	0		DAADMM
CN(CCO)[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000972569545	662448515	/nfs/dbraw/zinc/44/85/15/662448515.db2.gz	WNMXJTAMXHQJBY-SNVBAGLBSA-N	-1	1	320.353	-1.404	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)Cc3cnoc3)CC2)nc1=O	ZINC000949804428	662464853	/nfs/dbraw/zinc/46/48/53/662464853.db2.gz	SGGTZDNXCMXLBH-UHFFFAOYSA-N	-1	1	306.326	-1.017	20	0		DAADMM
O=C(N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1)[C@H]1CNC(=O)N1	ZINC000973196515	662505588	/nfs/dbraw/zinc/50/55/88/662505588.db2.gz	DTUMSCKVLSJLDM-IWSPIJDZSA-N	-1	1	319.321	-1.154	20	0		DAADMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1	ZINC000979392677	662624540	/nfs/dbraw/zinc/62/45/40/662624540.db2.gz	FPVCQVJZHRRQFD-SFYZADRCSA-N	-1	1	322.329	-1.352	20	0		DAADMM
Cn1nncc1C(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1	ZINC001027855772	662630643	/nfs/dbraw/zinc/63/06/43/662630643.db2.gz	XBZFFEIDFFJTEN-SECBINFHSA-N	-1	1	320.357	-1.369	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)nc1=O	ZINC001027861564	662630998	/nfs/dbraw/zinc/63/09/98/662630998.db2.gz	YMAFKKUAUHWYDB-RKDXNWHRSA-N	-1	1	324.341	-1.703	20	0		DAADMM
Cn1nncc1C(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC000981071609	662641349	/nfs/dbraw/zinc/64/13/49/662641349.db2.gz	ONHOHEKVGGNCSF-UHFFFAOYSA-N	-1	1	320.357	-1.415	20	0		DAADMM
Cn1[n-]c(CN2CCCN(C(=O)[C@@H]3COC(=O)N3)CC2)nc1=O	ZINC000981073689	662641375	/nfs/dbraw/zinc/64/13/75/662641375.db2.gz	JSDNVRXMODXLSB-VIFPVBQESA-N	-1	1	324.341	-1.749	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H]2CNC(=O)[C@@H]2CCNC2=O)nc1=O	ZINC001028071845	662643014	/nfs/dbraw/zinc/64/30/14/662643014.db2.gz	GKCJONGDPRJHRV-VHSXEESVSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)nc1=O	ZINC001028109142	662645644	/nfs/dbraw/zinc/64/56/44/662645644.db2.gz	DRXNTTNHORUBQL-BDAKNGLRSA-N	-1	1	323.357	-2.130	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)nc1=O	ZINC001028109143	662645738	/nfs/dbraw/zinc/64/57/38/662645738.db2.gz	DRXNTTNHORUBQL-DTWKUNHWSA-N	-1	1	323.357	-2.130	20	0		DAADMM
Cn1[n-]c(CN2CCCN(C(=O)[C@@H]3CCNC3=O)CC2)nc1=O	ZINC000981746798	662647135	/nfs/dbraw/zinc/64/71/35/662647135.db2.gz	NNSDLBPJBWEOKP-SNVBAGLBSA-N	-1	1	322.369	-1.721	20	0		DAADMM
Cn1[n-]c(CN2CCCN(C(=O)C3(C(N)=O)CC3)CC2)nc1=O	ZINC000981865552	662649117	/nfs/dbraw/zinc/64/91/17/662649117.db2.gz	WRXAYWLYASGODI-UHFFFAOYSA-N	-1	1	322.369	-1.592	20	0		DAADMM
Cn1ncc(C(=O)NC[C@@H]2CCCN2Cc2nc(=O)n(C)[n-]2)n1	ZINC001028198814	662651715	/nfs/dbraw/zinc/65/17/15/662651715.db2.gz	RESUBRGJIIVGOE-VIFPVBQESA-N	-1	1	320.357	-1.369	20	0		DAADMM
Cn1ncc(C(=O)N2CCCN(Cc3nc(=O)n(C)[n-]3)CC2)n1	ZINC000982205500	662653313	/nfs/dbraw/zinc/65/33/13/662653313.db2.gz	VNGBNGANEFJDML-UHFFFAOYSA-N	-1	1	320.357	-1.415	20	0		DAADMM
NC(=O)CN1CCC[C@@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001028260994	662656170	/nfs/dbraw/zinc/65/61/70/662656170.db2.gz	RVMZRKAKHAMEPP-MRVPVSSYSA-N	-1	1	319.325	-1.903	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)[C@@H]2CCC(=O)N2)nc1=O	ZINC001028269853	662656857	/nfs/dbraw/zinc/65/68/57/662656857.db2.gz	WWGDATSNUXSSEJ-ZJUUUORDSA-N	-1	1	322.369	-1.532	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCC(=O)NCc1ccco1	ZINC000726868150	662681021	/nfs/dbraw/zinc/68/10/21/662681021.db2.gz	XWMOANFKBQHWNJ-UHFFFAOYSA-N	-1	1	320.305	-1.048	20	0		DAADMM
C[C@H](C(N)=O)N1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001028661780	662683599	/nfs/dbraw/zinc/68/35/99/662683599.db2.gz	PBZNHBRYAXKWLD-RQJHMYQMSA-N	-1	1	310.314	-1.792	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)nc1=O	ZINC001028751754	662690125	/nfs/dbraw/zinc/69/01/25/662690125.db2.gz	AGOHETIMPOKCQS-DCQANWLSSA-N	-1	1	321.381	-1.061	20	0		DAADMM
O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@H]2CC[C@@H](C1)N2CCCO	ZINC001029380001	662702112	/nfs/dbraw/zinc/70/21/12/662702112.db2.gz	IVOMZRHTPIFMOK-DTORHVGOSA-N	-1	1	309.326	-1.046	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](CNCc2cnon2)C1	ZINC000985076596	662708881	/nfs/dbraw/zinc/70/88/81/662708881.db2.gz	RCXDTXYTMQNSHR-ZKCHVHJHSA-N	-1	1	323.313	-1.243	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1	ZINC001029802980	662711902	/nfs/dbraw/zinc/71/19/02/662711902.db2.gz	IADVHLNETNNABZ-VHSXEESVSA-N	-1	1	322.369	-1.073	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1	ZINC001029802981	662712183	/nfs/dbraw/zinc/71/21/83/662712183.db2.gz	IADVHLNETNNABZ-ZJUUUORDSA-N	-1	1	322.369	-1.073	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1	ZINC001029839644	662713196	/nfs/dbraw/zinc/71/31/96/662713196.db2.gz	FTXSANCVCQESAN-AEJSXWLSSA-N	-1	1	322.369	-1.088	20	0		DAADMM
C[C@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)Cn1cnnn1	ZINC000985938729	662714782	/nfs/dbraw/zinc/71/47/82/662714782.db2.gz	AYDAJGUIMSSBGP-JGVFFNPUSA-N	-1	1	307.318	-1.724	20	0		DAADMM
C[C@@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CN1CCOCC1	ZINC000986172575	662715889	/nfs/dbraw/zinc/71/58/89/662715889.db2.gz	FTRMTQMXBZJNNV-GHMZBOCLSA-N	-1	1	324.385	-1.079	20	0		DAADMM
C[C@@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)c1nnn(C)n1	ZINC000986666520	662718895	/nfs/dbraw/zinc/71/88/95/662718895.db2.gz	WZBFLLDSXPMEFW-RQJHMYQMSA-N	-1	1	307.318	-1.573	20	0		DAADMM
C[C@@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CCn1cnnn1	ZINC000987250293	662721777	/nfs/dbraw/zinc/72/17/77/662721777.db2.gz	TYKWUAGQNQJKAK-BDAKNGLRSA-N	-1	1	321.345	-1.334	20	0		DAADMM
C[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)Cn1cnnn1	ZINC000988013001	662724151	/nfs/dbraw/zinc/72/41/51/662724151.db2.gz	YXXBAWNNLHJTSF-YUMQZZPRSA-N	-1	1	307.318	-1.724	20	0		DAADMM
C[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CS(C)(=O)=O	ZINC000988277885	662725364	/nfs/dbraw/zinc/72/53/64/662725364.db2.gz	HJNDAFSZJSWPAH-SFYZADRCSA-N	-1	1	317.371	-1.366	20	0		DAADMM
C[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CN1CN=NC1=O	ZINC000988665209	662730198	/nfs/dbraw/zinc/73/01/98/662730198.db2.gz	FPGHDNJWQNCMRG-YUMQZZPRSA-N	-1	1	322.329	-1.413	20	0		DAADMM
NC(=O)C(=O)N1CC[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1	ZINC000937966112	662736452	/nfs/dbraw/zinc/73/64/52/662736452.db2.gz	GPSGIDUCHZYWHW-QMMMGPOBSA-N	-1	1	319.321	-1.124	20	0		DAADMM
C[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)c1nnn(C)n1	ZINC000989305938	662742948	/nfs/dbraw/zinc/74/29/48/662742948.db2.gz	DSTVTJKWZGCDNX-RNFRBKRXSA-N	-1	1	307.318	-1.573	20	0		DAADMM
C[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)c1nnn(C)n1	ZINC000989305941	662743345	/nfs/dbraw/zinc/74/33/45/662743345.db2.gz	DSTVTJKWZGCDNX-RQJHMYQMSA-N	-1	1	307.318	-1.573	20	0		DAADMM
COC(=O)CSCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000729863394	662744515	/nfs/dbraw/zinc/74/45/15/662744515.db2.gz	UHOBTDJFKYLOQI-UHFFFAOYSA-N	-1	1	315.351	-1.051	20	0		DAADMM
C[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CCn1cnnn1	ZINC000989600783	662749235	/nfs/dbraw/zinc/74/92/35/662749235.db2.gz	MPWZGKBUMHJZLS-BDAKNGLRSA-N	-1	1	321.345	-1.334	20	0		DAADMM
Cn1[n-]c(CN2CCCN(C(=O)Cn3cncn3)CC2)nc1=O	ZINC000989619436	662749872	/nfs/dbraw/zinc/74/98/72/662749872.db2.gz	JOTQQCLQWJYHIS-UHFFFAOYSA-N	-1	1	320.357	-1.566	20	0		DAADMM
C[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)Cc1nnc[nH]1	ZINC000989656559	662750008	/nfs/dbraw/zinc/75/00/08/662750008.db2.gz	HEQSASRRFOWZQJ-HTQZYQBOSA-N	-1	1	306.330	-1.050	20	0		DAADMM
C[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)Cc1nnc[nH]1	ZINC000989656563	662750388	/nfs/dbraw/zinc/75/03/88/662750388.db2.gz	HEQSASRRFOWZQJ-SFYZADRCSA-N	-1	1	306.330	-1.050	20	0		DAADMM
C[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)Cn1cncn1	ZINC000989761875	662751251	/nfs/dbraw/zinc/75/12/51/662751251.db2.gz	AYERCWCHLOKTKR-RKDXNWHRSA-N	-1	1	306.330	-1.119	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CC(NC(=O)C(F)F)C1	ZINC000990021883	662752541	/nfs/dbraw/zinc/75/25/41/662752541.db2.gz	BMSMDWJZLYVHSE-UHFFFAOYSA-N	-1	1	316.264	-1.481	20	0		DAADMM
CS(=O)(=O)CC(=O)N1CCC(NCc2n[nH]c(=O)[n-]2)CC1	ZINC000990093208	662753033	/nfs/dbraw/zinc/75/30/33/662753033.db2.gz	AFNPNXXNCOUZSB-UHFFFAOYSA-N	-1	1	317.371	-1.365	20	0		DAADMM
C[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC000990130730	662753589	/nfs/dbraw/zinc/75/35/89/662753589.db2.gz	RMSFXWQGRCMQQC-KOLCDFICSA-N	-1	1	320.349	-1.090	20	0		DAADMM
CS(=O)(=O)CC(=O)N1CC(NC(=O)c2ncccc2[O-])C1	ZINC000990968454	662787804	/nfs/dbraw/zinc/78/78/04/662787804.db2.gz	IYBKUBBREURYIY-UHFFFAOYSA-N	-1	1	313.335	-1.228	20	0		DAADMM
CN1C[C@H](C(=O)N2CC(NC(=O)c3ncccc3[O-])C2)NC1=O	ZINC000990976082	662787975	/nfs/dbraw/zinc/78/79/75/662787975.db2.gz	VVFHLRDBUADCHM-SECBINFHSA-N	-1	1	319.321	-1.249	20	0		DAADMM
O=C(NC1CN(C(=O)[C@H]2COC(=O)N2)C1)c1ncccc1[O-]	ZINC000990970047	662788036	/nfs/dbraw/zinc/78/80/36/662788036.db2.gz	SISSUPBQYDQCBE-MRVPVSSYSA-N	-1	1	306.278	-1.164	20	0		DAADMM
O=C(NC1CN(C(=O)[C@H]2CNC(=O)N2)C1)c1ncccc1[O-]	ZINC000990971692	662788224	/nfs/dbraw/zinc/78/82/24/662788224.db2.gz	IOJROINXOFMSKL-MRVPVSSYSA-N	-1	1	305.294	-1.591	20	0		DAADMM
CC(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1O	ZINC000991156528	662803591	/nfs/dbraw/zinc/80/35/91/662803591.db2.gz	OQVRTWQEGWHDNQ-WCBMZHEXSA-N	-1	1	320.309	-1.871	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC(C)(CO)CO	ZINC000912551919	663153625	/nfs/dbraw/zinc/15/36/25/663153625.db2.gz	DNTRBIPIPKZFRR-UHFFFAOYSA-N	-1	1	307.328	-1.535	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@](C)(CO)C(=O)OC	ZINC000912557272	663153860	/nfs/dbraw/zinc/15/38/60/663153860.db2.gz	WMQUHYIXTUJDIQ-SNVBAGLBSA-N	-1	1	321.311	-1.601	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CN3CCCC3=O)C2)nc1=O	ZINC001030091812	663164540	/nfs/dbraw/zinc/16/45/40/663164540.db2.gz	RHDPCHVBBQXEOO-UHFFFAOYSA-N	-1	1	308.342	-1.969	20	0		DAADMM
C[C@H](C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1)n1cccn1	ZINC001030125661	663165659	/nfs/dbraw/zinc/16/56/59/663165659.db2.gz	WFUAFXMNAJRIFM-SECBINFHSA-N	-1	1	305.342	-1.134	20	0		DAADMM
Cc1cc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)nn1C	ZINC001030136666	663165791	/nfs/dbraw/zinc/16/57/91/663165791.db2.gz	QCTAJKSPFLVNRZ-UHFFFAOYSA-N	-1	1	305.342	-1.235	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@H]3CN(C)CCO3)C2)nc1=O	ZINC001030185088	663169614	/nfs/dbraw/zinc/16/96/14/663169614.db2.gz	ZJHLBORZLRROHP-SNVBAGLBSA-N	-1	1	310.358	-2.261	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)C[C@H]3COC(=O)C3)C2)nc1=O	ZINC001030215416	663171091	/nfs/dbraw/zinc/17/10/91/663171091.db2.gz	ZNMGPFFUVPCCBT-MRVPVSSYSA-N	-1	1	309.326	-1.638	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@@H]3COCCN3C)C2)nc1=O	ZINC001030230942	663171855	/nfs/dbraw/zinc/17/18/55/663171855.db2.gz	BAAMVNITGYLELL-JTQLQIEISA-N	-1	1	310.358	-2.261	20	0		DAADMM
C[C@H](C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1)n1cncn1	ZINC001030232038	663171937	/nfs/dbraw/zinc/17/19/37/663171937.db2.gz	MGUMGILDKLQUNZ-MRVPVSSYSA-N	-1	1	306.330	-1.739	20	0		DAADMM
Cn1nccc1CC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001030259116	663173210	/nfs/dbraw/zinc/17/32/10/663173210.db2.gz	XSRBEKPQMQDLLJ-UHFFFAOYSA-N	-1	1	305.342	-1.615	20	0		DAADMM
NC(=O)C(=O)N1CC(NC(=O)c2cnc(C3CC3)[n-]c2=O)C1	ZINC000991651957	663175397	/nfs/dbraw/zinc/17/53/97/663175397.db2.gz	XCMHDKRVWVKUAK-UHFFFAOYSA-N	-1	1	305.294	-1.515	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NC)o1	ZINC000046316109	663175894	/nfs/dbraw/zinc/17/58/94/663175894.db2.gz	DZBRDXKHKDSQRW-UHFFFAOYSA-N	-1	1	319.295	-1.200	20	0		DAADMM
Cc1cn(C)nc1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001030295316	663176164	/nfs/dbraw/zinc/17/61/64/663176164.db2.gz	JDPRKXSPVOEMEZ-UHFFFAOYSA-N	-1	1	305.342	-1.235	20	0		DAADMM
Cc1ccc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001030294007	663176356	/nfs/dbraw/zinc/17/63/56/663176356.db2.gz	ZMWRLIZKVCJKHR-UHFFFAOYSA-N	-1	1	303.326	-1.179	20	0		DAADMM
CN1C[C@H](C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)CC1=O	ZINC001030394739	663184544	/nfs/dbraw/zinc/18/45/44/663184544.db2.gz	KRUKLESFARZGHQ-MRVPVSSYSA-N	-1	1	308.342	-2.113	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3n[nH]c4c3CCC4)C2)nc1=O	ZINC001030600088	663204274	/nfs/dbraw/zinc/20/42/74/663204274.db2.gz	URICCXQOONKLTE-UHFFFAOYSA-N	-1	1	317.353	-1.066	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3ccc(=O)n(C)c3)C2)nc1=O	ZINC001030603233	663205093	/nfs/dbraw/zinc/20/50/93/663205093.db2.gz	YKFJWABNNHXCAR-UHFFFAOYSA-N	-1	1	318.337	-1.579	20	0		DAADMM
Cc1nc(CN2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n[nH]1	ZINC001030616632	663207345	/nfs/dbraw/zinc/20/73/45/663207345.db2.gz	CJFZQFUCXWOQQA-UHFFFAOYSA-N	-1	1	306.286	-1.676	20	0		DAADMM
COc1nccc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001030659594	663210234	/nfs/dbraw/zinc/21/02/34/663210234.db2.gz	ZQIXFPJYRPGMMO-UHFFFAOYSA-N	-1	1	319.325	-1.479	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3cn(C)c(=O)cn3)C2)nc1=O	ZINC001030705809	663215506	/nfs/dbraw/zinc/21/55/06/663215506.db2.gz	LUEADFMWQYJCQL-UHFFFAOYSA-N	-1	1	319.325	-2.184	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@H]3CC[C@H]3C(N)=O)C2)nc1=O	ZINC001030788885	663222884	/nfs/dbraw/zinc/22/28/84/663222884.db2.gz	ALYHLAQYJKRPDR-BDAKNGLRSA-N	-1	1	308.342	-2.080	20	0		DAADMM
Cn1[n-]c(CN2CC[C@]3(NC(=O)C(N)=O)CCC[C@H]23)nc1=O	ZINC000992152962	663224216	/nfs/dbraw/zinc/22/42/16/663224216.db2.gz	FORZDBRITWOCMD-ISVAXAHUSA-N	-1	1	308.342	-1.793	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3c[nH]c(=O)n3C)C2)nc1=O	ZINC001030794695	663224280	/nfs/dbraw/zinc/22/42/80/663224280.db2.gz	VWOUGEDWXOVKRE-UHFFFAOYSA-N	-1	1	307.314	-1.838	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@]3(C)CCC(=O)NC3)C2)nc1=O	ZINC001030822529	663225968	/nfs/dbraw/zinc/22/59/68/663225968.db2.gz	IVJHWOATXATPQP-CQSZACIVSA-N	-1	1	322.369	-1.675	20	0		DAADMM
CN1CCN(CC(=O)N2CCC(c3nn[n-]n3)CC2)CC1=O	ZINC000913744504	663236042	/nfs/dbraw/zinc/23/60/42/663236042.db2.gz	QZPSQHHXQGKUOZ-UHFFFAOYSA-N	-1	1	307.358	-1.320	20	0		DAADMM
CN1CCO[C@H](C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)C1=O	ZINC000913781105	663236191	/nfs/dbraw/zinc/23/61/91/663236191.db2.gz	BHUYSWHNMPVOBM-QMMMGPOBSA-N	-1	1	323.271	-1.020	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@@H]3CCCCC(=O)N3)C2)nc1=O	ZINC001030937824	663236299	/nfs/dbraw/zinc/23/62/99/663236299.db2.gz	VCXMSVVMIOROKE-JTQLQIEISA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@@]3(C)CCNC3=O)C2)nc1=O	ZINC001030947532	663237078	/nfs/dbraw/zinc/23/70/78/663237078.db2.gz	YYFFVAKMLRWTGO-ZDUSSCGKSA-N	-1	1	308.342	-2.065	20	0		DAADMM
C[C@@H](C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1)[C@@H]1CCC(=O)N1	ZINC001030987431	663240935	/nfs/dbraw/zinc/24/09/35/663240935.db2.gz	OWHBCIWPHXSMMH-SCZZXKLOSA-N	-1	1	322.369	-1.677	20	0		DAADMM
C[C@H](C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1)[C@H]1CCC(=O)N1	ZINC001030987432	663241163	/nfs/dbraw/zinc/24/11/63/663241163.db2.gz	OWHBCIWPHXSMMH-WCBMZHEXSA-N	-1	1	322.369	-1.677	20	0		DAADMM
CCn1ccc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001031044762	663245290	/nfs/dbraw/zinc/24/52/90/663245290.db2.gz	CELVLWQNQBGMMX-UHFFFAOYSA-N	-1	1	305.342	-1.061	20	0		DAADMM
Cn1nnc(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001015553904	663252658	/nfs/dbraw/zinc/25/26/58/663252658.db2.gz	JQINMENASYICMM-SSDOTTSWSA-N	-1	1	307.318	-2.364	20	0		DAADMM
COCc1nc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)co1	ZINC001031166654	663253875	/nfs/dbraw/zinc/25/38/75/663253875.db2.gz	MKNJSWSVEMMUTH-UHFFFAOYSA-N	-1	1	322.325	-1.143	20	0		DAADMM
C[C@H]1CCN(C(=O)C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)C1	ZINC001031227526	663257916	/nfs/dbraw/zinc/25/79/16/663257916.db2.gz	FYKPAIXZUILOJM-VIFPVBQESA-N	-1	1	322.369	-1.723	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1CN([C@H]2CCNC2=O)C1	ZINC001031249582	663260627	/nfs/dbraw/zinc/26/06/27/663260627.db2.gz	CCANXGBCSJFAFV-ZETCQYMHSA-N	-1	1	323.309	-1.801	20	0		DAADMM
O=C(NC1CN([C@@H]2CCNC2=O)C1)c1cc(=O)n2[n-]cnc2n1	ZINC001031249887	663260725	/nfs/dbraw/zinc/26/07/25/663260725.db2.gz	KVYOGPKFXHVLAO-SECBINFHSA-N	-1	1	317.309	-2.280	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1CN(Cc2cnon2)C1	ZINC001031250172	663260759	/nfs/dbraw/zinc/26/07/59/663260759.db2.gz	WNUWFUAJDYYZBH-UHFFFAOYSA-N	-1	1	322.281	-1.106	20	0		DAADMM
O=C(NC1CN(Cc2cnon2)C1)c1cc(=O)n2[n-]cnc2n1	ZINC001031251429	663262375	/nfs/dbraw/zinc/26/23/75/663262375.db2.gz	KLYFBIJNBGEONB-UHFFFAOYSA-N	-1	1	316.281	-1.585	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3cnn4cc[nH]c34)C2)nc1=O	ZINC001031310025	663278695	/nfs/dbraw/zinc/27/86/95/663278695.db2.gz	HZMLDMDPNRWJFY-UHFFFAOYSA-N	-1	1	316.325	-1.302	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C[C@@H]2C[C@]23CCOC3)C1	ZINC001031314758	663280102	/nfs/dbraw/zinc/28/01/02/663280102.db2.gz	IUHMSSWJNJHWLW-XPTSAGLGSA-N	-1	1	323.353	-1.084	20	0		DAADMM
Cc1nc([C@@H](C)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n[nH]1	ZINC001031314745	663280290	/nfs/dbraw/zinc/28/02/90/663280290.db2.gz	ILAOFPZDTOEVKJ-ZCFIWIBFSA-N	-1	1	322.329	-1.323	20	0		DAADMM
COCCN1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC000733155552	663280523	/nfs/dbraw/zinc/28/05/23/663280523.db2.gz	CBPXWSPKEVIQHU-UHFFFAOYSA-N	-1	1	310.354	-1.283	20	0		DAADMM
Cc1nn(C)c(F)c1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031323708	663281670	/nfs/dbraw/zinc/28/16/70/663281670.db2.gz	HCWYQEGTIQVIOK-UHFFFAOYSA-N	-1	1	323.332	-1.096	20	0		DAADMM
Cc1n[nH]c(C)c1CC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031379241	663289065	/nfs/dbraw/zinc/28/90/65/663289065.db2.gz	MIXAXPMSSLGAKX-UHFFFAOYSA-N	-1	1	319.369	-1.009	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@@H]3CCNC(=O)C3)C2)nc1=O	ZINC001031613098	663302652	/nfs/dbraw/zinc/30/26/52/663302652.db2.gz	JQGBMYNQURDPOD-SNVBAGLBSA-N	-1	1	322.369	-1.817	20	0		DAADMM
COc1cc(C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)on1	ZINC001031624886	663303372	/nfs/dbraw/zinc/30/33/72/663303372.db2.gz	HPRZKSHNNRFZRL-UHFFFAOYSA-N	-1	1	322.325	-1.033	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@@H]3COCCN3C)C2)nc1=O	ZINC001031622053	663303565	/nfs/dbraw/zinc/30/35/65/663303565.db2.gz	SZENVPSLCRGSRX-NSHDSACASA-N	-1	1	324.385	-2.013	20	0		DAADMM
C[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000921494289	663309950	/nfs/dbraw/zinc/30/99/50/663309950.db2.gz	FHVODXHJFXZSBP-SFYZADRCSA-N	-1	1	303.340	-1.603	20	0		DAADMM
COCC(=O)N1CC[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000938313799	663312787	/nfs/dbraw/zinc/31/27/87/663312787.db2.gz	BKPLECZJAMRHAS-QMMMGPOBSA-N	-1	1	320.309	-1.605	20	0		DAADMM
O=C(N[C@H]1CCN(C(=O)c2ncccc2[O-])C1)[C@@H]1CNC(=O)N1	ZINC000938570973	663326193	/nfs/dbraw/zinc/32/61/93/663326193.db2.gz	XNNSKISVBCPLDZ-IUCAKERBSA-N	-1	1	319.321	-1.201	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)c2c[nH]c(=O)n2C)nc1=O	ZINC001038589256	663333177	/nfs/dbraw/zinc/33/31/77/663333177.db2.gz	XQELOIZXKDLPNP-MRVPVSSYSA-N	-1	1	321.341	-1.448	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@H]3CCCNC3=O)C2)nc1=O	ZINC001031748572	663336982	/nfs/dbraw/zinc/33/69/82/663336982.db2.gz	CTJIXLMOXYLWCP-JTQLQIEISA-N	-1	1	322.369	-1.817	20	0		DAADMM
C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC000939039826	663341930	/nfs/dbraw/zinc/34/19/30/663341930.db2.gz	OMZOGTWBKSJKCZ-YUMQZZPRSA-N	-1	1	308.342	-1.288	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@@H]3CCC(=O)NC3)C2)nc1=O	ZINC001031803631	663345803	/nfs/dbraw/zinc/34/58/03/663345803.db2.gz	HZBUUZRHQBFPLS-SNVBAGLBSA-N	-1	1	322.369	-1.817	20	0		DAADMM
C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC000939298809	663349255	/nfs/dbraw/zinc/34/92/55/663349255.db2.gz	ZJHJXCNBDFAEGJ-VXNVDRBHSA-N	-1	1	306.330	-1.111	20	0		DAADMM
O=C(Cn1ncnn1)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1	ZINC000940130348	663368732	/nfs/dbraw/zinc/36/87/32/663368732.db2.gz	MLIXJNPJASCBJO-SECBINFHSA-N	-1	1	317.309	-1.195	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)c3csnn3)C2)nc1=O	ZINC001031881402	663372664	/nfs/dbraw/zinc/37/26/64/663372664.db2.gz	HSLQGOGMKZVPTC-UHFFFAOYSA-N	-1	1	309.355	-1.178	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@H]3CCNC3=O)C2)nc1=O	ZINC001031897650	663376189	/nfs/dbraw/zinc/37/61/89/663376189.db2.gz	VANNUBVDXBMZEK-VIFPVBQESA-N	-1	1	308.342	-2.208	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@@H]3CC[C@H]3C(N)=O)C2)nc1=O	ZINC001031897064	663376205	/nfs/dbraw/zinc/37/62/05/663376205.db2.gz	OCUKQVQZJGBDFM-NXEZZACHSA-N	-1	1	322.369	-1.832	20	0		DAADMM
CO[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1NC(C)=O	ZINC000940905414	663380940	/nfs/dbraw/zinc/38/09/40/663380940.db2.gz	NMEUODFXUQQZRK-GHMZBOCLSA-N	-1	1	324.337	-1.711	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)C(N)=O)C(C)(C)C2)nc1=O	ZINC000940994946	663382964	/nfs/dbraw/zinc/38/29/64/663382964.db2.gz	ZYUYGWSLJFGNOR-QMMMGPOBSA-N	-1	1	310.358	-1.690	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@H]3CNC(=O)N3)C2)nc1=O	ZINC001031944851	663390143	/nfs/dbraw/zinc/39/01/43/663390143.db2.gz	GXXIQVLCAPIHJT-MRVPVSSYSA-N	-1	1	309.330	-2.662	20	0		DAADMM
CCN1CC(N2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)C1	ZINC000941474931	663395753	/nfs/dbraw/zinc/39/57/53/663395753.db2.gz	FTXXQDDYGVLSLL-UHFFFAOYSA-N	-1	1	308.342	-1.255	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)c2cnsn2)nc1=O	ZINC001038075071	663412901	/nfs/dbraw/zinc/41/29/01/663412901.db2.gz	FKQHZBKKTBNJJB-SSDOTTSWSA-N	-1	1	309.355	-1.036	20	0		DAADMM
NC(=O)C(=O)N[C@@H]1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1	ZINC000942309308	663421547	/nfs/dbraw/zinc/42/15/47/663421547.db2.gz	WTGXVSDMSGMHAS-MRVPVSSYSA-N	-1	1	319.321	-1.124	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)c3ccncn3)C2)nc1=O	ZINC001032059602	663431647	/nfs/dbraw/zinc/43/16/47/663431647.db2.gz	KJPTWBWFIHKSAD-UHFFFAOYSA-N	-1	1	303.326	-1.240	20	0		DAADMM
CC1(C)CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC000995759050	663481918	/nfs/dbraw/zinc/48/19/18/663481918.db2.gz	BRTYFMGWDJXUKF-JGVFFNPUSA-N	-1	1	324.341	-1.055	20	0		DAADMM
CC1(C)CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC000996211907	663484088	/nfs/dbraw/zinc/48/40/88/663484088.db2.gz	JUSCSOCJGOUBMM-HTQZYQBOSA-N	-1	1	323.357	-1.482	20	0		DAADMM
O=C(NC1CN(C(=O)C2CC2)C1)c1cc(=O)n2[n-]cnc2n1	ZINC000996408937	663486185	/nfs/dbraw/zinc/48/61/85/663486185.db2.gz	PWTLCSKBLIJYPJ-UHFFFAOYSA-N	-1	1	302.294	-1.232	20	0		DAADMM
Cn1nncc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[n-]1	ZINC001032383235	663503300	/nfs/dbraw/zinc/50/33/00/663503300.db2.gz	VYDRNCBQVFAWTO-IUCAKERBSA-N	-1	1	318.341	-1.664	20	0		DAADMM
Cn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nc(=O)n(C)[n-]2)nn1	ZINC001032388089	663503735	/nfs/dbraw/zinc/50/37/35/663503735.db2.gz	VKSAHACCXOYMOR-IUCAKERBSA-N	-1	1	318.341	-1.664	20	0		DAADMM
CC(C)[C@@H](O)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[n-]1	ZINC001032386813	663503981	/nfs/dbraw/zinc/50/39/81/663503981.db2.gz	UNCZJPBCSKPKHF-JBLDHEPKSA-N	-1	1	309.370	-1.090	20	0		DAADMM
O=C(NC1CN(C(=O)c2ncccc2[O-])C1)[C@H]1CCNC1=O	ZINC000997412483	663515891	/nfs/dbraw/zinc/51/58/91/663515891.db2.gz	VSMKOHJGQNJTDK-VIFPVBQESA-N	-1	1	304.306	-1.136	20	0		DAADMM
C[C@H](O)CN1C[C@@H]2C[C@H]1CN2C(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC001032495481	663520896	/nfs/dbraw/zinc/52/08/96/663520896.db2.gz	LSNCCJXZQACNKD-GUBZILKMSA-N	-1	1	323.353	-1.119	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC(NC(=O)C(N)=O)C1	ZINC000998703347	663549282	/nfs/dbraw/zinc/54/92/82/663549282.db2.gz	DSFDMTVFIJGIGB-UHFFFAOYSA-N	-1	1	311.254	-2.678	20	0		DAADMM
CN1CCO[C@H](C(=O)N2CCC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)C1	ZINC000998825920	663552949	/nfs/dbraw/zinc/55/29/49/663552949.db2.gz	NQLRKHZKSHDUKE-MNOVXSKESA-N	-1	1	324.385	-1.079	20	0		DAADMM
O=C(CN1CN=NC1=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000998976307	663554111	/nfs/dbraw/zinc/55/41/11/663554111.db2.gz	RAFSNDODVBKLAE-QMMMGPOBSA-N	-1	1	322.329	-1.412	20	0		DAADMM
O=C([C@@H]1CNC(=O)N1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001000052678	663573059	/nfs/dbraw/zinc/57/30/59/663573059.db2.gz	ZCRFDARKJRYAJU-SFYZADRCSA-N	-1	1	309.330	-1.728	20	0		DAADMM
C[C@@H](C(N)=O)N1CCC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001001589092	663603777	/nfs/dbraw/zinc/60/37/77/663603777.db2.gz	NSAFRMFMDKDTNF-ZETCQYMHSA-N	-1	1	324.341	-1.402	20	0		DAADMM
Cc1nonc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[n-]1	ZINC001032816676	663603988	/nfs/dbraw/zinc/60/39/88/663603988.db2.gz	AJBKNNGTBHYGPP-IUCAKERBSA-N	-1	1	319.325	-1.101	20	0		DAADMM
Cn1cc(C(=O)NC2CCN(Cc3nc(=O)n(C)[n-]3)CC2)nn1	ZINC001002723750	663618493	/nfs/dbraw/zinc/61/84/93/663618493.db2.gz	USAXPCJTGPGHMV-UHFFFAOYSA-N	-1	1	320.357	-1.369	20	0		DAADMM
NC(=O)C(=O)N1CC(CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001003320649	663627726	/nfs/dbraw/zinc/62/77/26/663627726.db2.gz	YJFOLDJEJIBZIB-UHFFFAOYSA-N	-1	1	319.281	-2.909	20	0		DAADMM
Cn1[n-]c(CN2CCC(NC(=O)[C@H]3CCNC3=O)CC2)nc1=O	ZINC001003427353	663629074	/nfs/dbraw/zinc/62/90/74/663629074.db2.gz	LADUHGLOBLPWDN-JTQLQIEISA-N	-1	1	322.369	-1.675	20	0		DAADMM
O=C(NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ncn[nH]1	ZINC001003688817	663635283	/nfs/dbraw/zinc/63/52/83/663635283.db2.gz	XNPDHHYCRLEXJL-UHFFFAOYSA-N	-1	1	320.269	-2.097	20	0		DAADMM
O=C(NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1nc[nH]n1	ZINC001003688817	663635287	/nfs/dbraw/zinc/63/52/87/663635287.db2.gz	XNPDHHYCRLEXJL-UHFFFAOYSA-N	-1	1	320.269	-2.097	20	0		DAADMM
CN(C(=O)[C@H]1COC(=O)N1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033044306	663646313	/nfs/dbraw/zinc/64/63/13/663646313.db2.gz	DNRFDEQCLJGTRF-DTWKUNHWSA-N	-1	1	324.341	-1.751	20	0		DAADMM
Cc1n[nH]nc1C(=O)N(C)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033318515	663658014	/nfs/dbraw/zinc/65/80/14/663658014.db2.gz	NCLOSNJGEIBABF-VIFPVBQESA-N	-1	1	320.357	-1.119	20	0		DAADMM
CN(C(=O)c1nnn(C)n1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033344027	663659584	/nfs/dbraw/zinc/65/95/84/663659584.db2.gz	FVQMTCGUJWRELJ-MRVPVSSYSA-N	-1	1	321.345	-2.022	20	0		DAADMM
CN(C(=O)c1cnon1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033528840	663662225	/nfs/dbraw/zinc/66/22/25/663662225.db2.gz	YPRSMNHPSIFYSG-QMMMGPOBSA-N	-1	1	307.314	-1.162	20	0		DAADMM
CN1CCOC[C@@H]1C(=O)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001034912535	663675294	/nfs/dbraw/zinc/67/52/94/663675294.db2.gz	XZIDFQLOMBNRKK-GHMZBOCLSA-N	-1	1	324.385	-1.079	20	0		DAADMM
O=C(Cn1ncnn1)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001034938448	663675778	/nfs/dbraw/zinc/67/57/78/663675778.db2.gz	ODQGOPSFMIIVHJ-MRVPVSSYSA-N	-1	1	307.318	-1.722	20	0		DAADMM
CN1C[C@H](C(=O)N2CCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)NC1=O	ZINC001035013781	663676330	/nfs/dbraw/zinc/67/63/30/663676330.db2.gz	HFEYGPNTNVJIHF-RKDXNWHRSA-N	-1	1	323.357	-1.386	20	0		DAADMM
NC(=O)C1(C(=O)N2CCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)CC1	ZINC001035035010	663677028	/nfs/dbraw/zinc/67/70/28/663677028.db2.gz	OKFDXSVWXIBFHQ-MRVPVSSYSA-N	-1	1	308.342	-1.144	20	0		DAADMM
O=C(CCn1cnnn1)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001035084865	663677089	/nfs/dbraw/zinc/67/70/89/663677089.db2.gz	CKOCVEOXNVDCNP-SECBINFHSA-N	-1	1	321.345	-1.332	20	0		DAADMM
O=C(Cn1cncn1)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001035118985	663677880	/nfs/dbraw/zinc/67/78/80/663677880.db2.gz	HQWJEGJAVCEKHP-SECBINFHSA-N	-1	1	306.330	-1.117	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@H](CNC(=O)c3ccn[nH]3)C2)nc1=O	ZINC001035302406	663678607	/nfs/dbraw/zinc/67/86/07/663678607.db2.gz	HSPFTOOVPUTEBP-SECBINFHSA-N	-1	1	321.341	-1.538	20	0		DAADMM
CN1CCC[C@H]1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001035314263	663678909	/nfs/dbraw/zinc/67/89/09/663678909.db2.gz	VNPKQYDKUXPLBW-MNOVXSKESA-N	-1	1	324.385	-1.079	20	0		DAADMM
CN1CCC[C@@H]1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001035314265	663679065	/nfs/dbraw/zinc/67/90/65/663679065.db2.gz	VNPKQYDKUXPLBW-WDEREUQCSA-N	-1	1	324.385	-1.079	20	0		DAADMM
NC(=O)CC(=O)N1CC[C@@H]2[C@H](CCN2Cc2n[nH]c(=O)[n-]2)C1	ZINC001036673422	663694333	/nfs/dbraw/zinc/69/43/33/663694333.db2.gz	PMYAYMNYCSYLPN-RKDXNWHRSA-N	-1	1	308.342	-1.192	20	0		DAADMM
O=C(CN1CCN(c2ncccn2)CC1)NCc1nn[n-]n1	ZINC000737885025	663790842	/nfs/dbraw/zinc/79/08/42/663790842.db2.gz	ZODHPUQOXQGINU-UHFFFAOYSA-N	-1	1	303.330	-1.572	20	0		DAADMM
CC[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@H]1CN2CCN1CC2	ZINC000866994953	663793315	/nfs/dbraw/zinc/79/33/15/663793315.db2.gz	VQGSPTJSLHSQMP-XTZNXHDOSA-N	-1	1	310.445	-1.062	20	0		DAADMM
COC[C@](C)(NC(=O)CCn1cc[n-]c(=O)c1=O)C(=O)OC	ZINC000757007212	663806054	/nfs/dbraw/zinc/80/60/54/663806054.db2.gz	AQZDQRVBZAUZHS-ZDUSSCGKSA-N	-1	1	313.310	-1.379	20	0		DAADMM
CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)N(C)C1CCOCC1	ZINC000758505815	663807935	/nfs/dbraw/zinc/80/79/35/663807935.db2.gz	XOMFTCVLYDENJK-SNVBAGLBSA-N	-1	1	310.372	-1.144	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCN2C(=O)OC[C@H]2C1	ZINC000763867115	663811735	/nfs/dbraw/zinc/81/17/35/663811735.db2.gz	ARIHXMOWGOACBP-SECBINFHSA-N	-1	1	308.294	-1.410	20	0		DAADMM
Cn1[n-]c(COC(=O)[C@H]2CCCCN2S(C)(=O)=O)nc1=O	ZINC000765449061	663813035	/nfs/dbraw/zinc/81/30/35/663813035.db2.gz	XGIMCYKIJGUZQO-MRVPVSSYSA-N	-1	1	318.355	-1.034	20	0		DAADMM
Cn1[n-]c(COC(=O)Cn2nnc3ccccc3c2=O)nc1=O	ZINC000765410819	663813105	/nfs/dbraw/zinc/81/31/05/663813105.db2.gz	ZCTYZCFJQHJHNC-UHFFFAOYSA-N	-1	1	316.277	-1.043	20	0		DAADMM
C[C@H](O)C(=O)N1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC000766026436	663813544	/nfs/dbraw/zinc/81/35/44/663813544.db2.gz	PLONYWNCAQEVLJ-JTQLQIEISA-N	-1	1	324.337	-2.022	20	0		DAADMM
C[C@@H](O)C[C@@H]1COCCN1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000766545292	663813655	/nfs/dbraw/zinc/81/36/55/663813655.db2.gz	XFKOPHOWLMLLEL-GHMZBOCLSA-N	-1	1	311.338	-1.075	20	0		DAADMM
C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)[C@H]1CN(C)CCO1	ZINC000770335265	663816644	/nfs/dbraw/zinc/81/66/44/663816644.db2.gz	LGPYZZAIRONZPJ-WDEREUQCSA-N	-1	1	310.354	-1.238	20	0		DAADMM
NC(=O)CO[N-]C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000772939125	663819580	/nfs/dbraw/zinc/81/95/80/663819580.db2.gz	DBEDQOFCZACMLZ-SNVBAGLBSA-N	-1	1	314.342	-2.300	20	0		DAADMM
COCC(=O)NC1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC000772852096	663819691	/nfs/dbraw/zinc/81/96/91/663819691.db2.gz	QYMBVMCTKCSACF-UHFFFAOYSA-N	-1	1	310.310	-2.100	20	0		DAADMM
NC(=O)CO[N-]C(=O)CNS(=O)(=O)c1c(F)cccc1F	ZINC000774091596	663820126	/nfs/dbraw/zinc/82/01/26/663820126.db2.gz	UWGWRNIBUYYMRM-UHFFFAOYSA-N	-1	1	323.277	-1.224	20	0		DAADMM
Cn1c2ncn(CCOC(=O)c3cn[n-]n3)c2c(=O)n(C)c1=O	ZINC000805607319	663822597	/nfs/dbraw/zinc/82/25/97/663822597.db2.gz	JTVJVCCYYUCGBZ-UHFFFAOYSA-N	-1	1	319.281	-1.591	20	0		DAADMM
Cn1c(N)c(C(=O)COC(=O)c2cn[n-]n2)c(=O)n(C)c1=O	ZINC000805608468	663822847	/nfs/dbraw/zinc/82/28/47/663822847.db2.gz	DDVRMKCSOPXTKP-UHFFFAOYSA-N	-1	1	308.254	-2.176	20	0		DAADMM
CN1CCN(CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)CC1=O	ZINC000780630552	663824565	/nfs/dbraw/zinc/82/45/65/663824565.db2.gz	IGYPCYGURKZBGJ-VIFPVBQESA-N	-1	1	309.330	-2.126	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCNC(=O)c1ccn[nH]1	ZINC000780800175	663824652	/nfs/dbraw/zinc/82/46/52/663824652.db2.gz	MBNDGXPRGHJCOF-UHFFFAOYSA-N	-1	1	320.309	-1.804	20	0		DAADMM
COC(=O)COC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000786200276	663829593	/nfs/dbraw/zinc/82/95/93/663829593.db2.gz	LVUIQGKPAQOEDH-UHFFFAOYSA-N	-1	1	320.279	-1.627	20	0		DAADMM
C[C@H](CO)COC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000786202298	663829674	/nfs/dbraw/zinc/82/96/74/663829674.db2.gz	KZRQOWNSFRAWTJ-SSDOTTSWSA-N	-1	1	320.323	-1.172	20	0		DAADMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H](O)C(=O)NC	ZINC000786900622	663830075	/nfs/dbraw/zinc/83/00/75/663830075.db2.gz	OGIKFGQGYYPSFE-ZETCQYMHSA-N	-1	1	320.327	-2.028	20	0		DAADMM
Cn1cnn(CC(=O)N2CCSC[C@H]2c2nn[n-]n2)c1=O	ZINC000788602704	663832409	/nfs/dbraw/zinc/83/24/09/663832409.db2.gz	UAZZNOKWLNLAFK-ZETCQYMHSA-N	-1	1	310.343	-1.588	20	0		DAADMM
Cc1cccc(=O)n1C[C@](C)(O)C(=O)NN1CC(=O)[N-]C1=O	ZINC000792058861	663834244	/nfs/dbraw/zinc/83/42/44/663834244.db2.gz	BFEDTQLEFCJWCX-ZDUSSCGKSA-N	-1	1	308.294	-1.509	20	0		DAADMM
NC(=O)CN1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@@H]21	ZINC001036762830	663842003	/nfs/dbraw/zinc/84/20/03/663842003.db2.gz	POMNKUDARKCIJC-YUMQZZPRSA-N	-1	1	322.325	-1.696	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@]2(C)CCOC2=O)c(=O)n(C)c1=O	ZINC000810104860	663848971	/nfs/dbraw/zinc/84/89/71/663848971.db2.gz	TXODODHLJFGXME-NSHDSACASA-N	-1	1	317.323	-1.932	20	0		DAADMM
COC[C@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCC1)C(N)=O	ZINC000812503846	663850199	/nfs/dbraw/zinc/85/01/99/663850199.db2.gz	CLYBZCLVJRTYDE-QMMMGPOBSA-N	-1	1	308.356	-1.251	20	0		DAADMM
COC(=O)[C@H]1[C@@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@@H]21	ZINC000816960875	663853153	/nfs/dbraw/zinc/85/31/53/663853153.db2.gz	OTRULLIHNKCGEJ-JZYVYDRUSA-N	-1	1	307.306	-1.196	20	0		DAADMM
C[C@H](C[C@H](C)O)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000824699729	663863152	/nfs/dbraw/zinc/86/31/52/663863152.db2.gz	UZDYVXAZPTVEFK-RQJHMYQMSA-N	-1	1	309.330	-1.165	20	0		DAADMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCC(=O)NC2=O)n1	ZINC000826356810	663866174	/nfs/dbraw/zinc/86/61/74/663866174.db2.gz	GYDBVQINNJHEKK-LURJTMIESA-N	-1	1	319.285	-1.473	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCC(=O)NC2=O)n1	ZINC000826356810	663866175	/nfs/dbraw/zinc/86/61/75/663866175.db2.gz	GYDBVQINNJHEKK-LURJTMIESA-N	-1	1	319.285	-1.473	20	0		DAADMM
O=C1NC(=O)N2CCN(Cc3ccnc(-c4nn[n-]n4)c3)C[C@H]12	ZINC000826481989	663866239	/nfs/dbraw/zinc/86/62/39/663866239.db2.gz	OQOFUSGWDHFWDP-SNVBAGLBSA-N	-1	1	314.309	-1.002	20	0		DAADMM
CS[C@H](CO)[C@@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000826225823	663866518	/nfs/dbraw/zinc/86/65/18/663866518.db2.gz	LTBFYENHGQROSZ-RNFRBKRXSA-N	-1	1	312.359	-1.313	20	0		DAADMM
O=C1NC(=O)N2CCN(Cc3ccnc(-c4nn[n-]n4)c3)C[C@@H]12	ZINC000826481988	663866531	/nfs/dbraw/zinc/86/65/31/663866531.db2.gz	OQOFUSGWDHFWDP-JTQLQIEISA-N	-1	1	314.309	-1.002	20	0		DAADMM
O=C(CN1CCN(C2CC2)C1=O)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC000826834045	663867051	/nfs/dbraw/zinc/86/70/51/663867051.db2.gz	LOOWZXTWMQBGIZ-SNVBAGLBSA-N	-1	1	321.341	-1.000	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)C(=O)N3CC(C)(C(N)=O)C3)ccnc1-2	ZINC000832587473	663874029	/nfs/dbraw/zinc/87/40/29/663874029.db2.gz	VRWFWDXKNQKVCW-UHFFFAOYSA-N	-1	1	316.321	-1.386	20	0		DAADMM
CO[C@@]1(CO)CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC000855442389	663906127	/nfs/dbraw/zinc/90/61/27/663906127.db2.gz	SCFHLVSFUPQXQF-AWEZNQCLSA-N	-1	1	311.338	-1.073	20	0		DAADMM
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H]1COCCO1	ZINC000881803188	663957735	/nfs/dbraw/zinc/95/77/35/663957735.db2.gz	ZBDORIMQOKJLJA-CQLKUDPESA-N	-1	1	301.390	-1.189	20	0		DAADMM
COC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1	ZINC000882698444	663960280	/nfs/dbraw/zinc/96/02/80/663960280.db2.gz	LYXNRQKAGYXNOU-DTORHVGOSA-N	-1	1	317.367	-1.213	20	0		DAADMM
Cn1c2ccccc2n(CC(=O)NN2CC(=O)[N-]C2=O)c1=O	ZINC000029019938	663962289	/nfs/dbraw/zinc/96/22/89/663962289.db2.gz	CMFZDZWORSQDSG-UHFFFAOYSA-N	-1	1	303.278	-1.077	20	0		DAADMM
CO[N-]C(=O)CNC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1	ZINC000927211856	663985266	/nfs/dbraw/zinc/98/52/66/663985266.db2.gz	ORJVXJFQKASHLT-WDEREUQCSA-N	-1	1	300.359	-1.095	20	0		DAADMM
Cn1cncc1C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC000949127579	664029421	/nfs/dbraw/zinc/02/94/21/664029421.db2.gz	KKOWMWYWQMQDCV-UHFFFAOYSA-N	-1	1	305.342	-1.200	20	0		DAADMM
O=C(NC[C@H]1CCN1C(=O)[C@H]1CNC(=O)N1)c1ncccc1[O-]	ZINC000949538204	664037782	/nfs/dbraw/zinc/03/77/82/664037782.db2.gz	HNPXONGNRLMFLG-RKDXNWHRSA-N	-1	1	319.321	-1.201	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)CC2)nc1=O	ZINC000949627554	664039375	/nfs/dbraw/zinc/03/93/75/664039375.db2.gz	IMZNOAOUTOOTTC-VHSXEESVSA-N	-1	1	322.369	-1.736	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)c3c[nH]c(=O)n3C)CC2)nc1=O	ZINC000949652633	664040064	/nfs/dbraw/zinc/04/00/64/664040064.db2.gz	VGVOBOVBFBSGOW-UHFFFAOYSA-N	-1	1	321.341	-1.495	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)c3n[nH]cc3F)CC2)nc1=O	ZINC000950339104	664054879	/nfs/dbraw/zinc/05/48/79/664054879.db2.gz	DSNLYYDBYJIIJA-UHFFFAOYSA-N	-1	1	309.305	-1.071	20	0		DAADMM
CCN(C(=O)[C@H]1CCNC1=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000951126535	664070856	/nfs/dbraw/zinc/07/08/56/664070856.db2.gz	ROFPZJCLXRWFLP-JTQLQIEISA-N	-1	1	322.369	-1.723	20	0		DAADMM
COCC(=O)N1CC[C@@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000951222269	664073055	/nfs/dbraw/zinc/07/30/55/664073055.db2.gz	IZCZFITZBLLDCM-MRVPVSSYSA-N	-1	1	320.309	-1.605	20	0		DAADMM
O=C(NC[C@@H]1CCN1C(=O)c1ccn[nH]1)c1n[nH]c(=O)[n-]c1=O	ZINC000951297819	664074716	/nfs/dbraw/zinc/07/47/16/664074716.db2.gz	KMJRPGYYLQRDBD-LURJTMIESA-N	-1	1	319.281	-1.350	20	0		DAADMM
CN(C(=O)[C@@H]1CNC(=O)N1)C1CN(C(=O)c2ncccc2[O-])C1	ZINC000955152365	664173677	/nfs/dbraw/zinc/17/36/77/664173677.db2.gz	TYJMZQKMQLJYAO-VIFPVBQESA-N	-1	1	319.321	-1.249	20	0		DAADMM
CCN(C(=O)c1cnon1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000956987917	664204847	/nfs/dbraw/zinc/20/48/47/664204847.db2.gz	MCBHAENJFLVZCC-UHFFFAOYSA-N	-1	1	307.314	-1.162	20	0		DAADMM
Cc1nonc1CC(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC000956993414	664205221	/nfs/dbraw/zinc/20/52/21/664205221.db2.gz	HXGMSOCANBFCMG-UHFFFAOYSA-N	-1	1	321.341	-1.313	20	0		DAADMM
CCN(C(=O)c1cc(=O)n2[n-]cnc2n1)C1CN(C[C@@H](C)O)C1	ZINC000957134462	664205823	/nfs/dbraw/zinc/20/58/23/664205823.db2.gz	OSGIHANWDYJULR-SECBINFHSA-N	-1	1	320.353	-1.055	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](CNC(=O)C3CCC3)[C@H](O)C2)nc1=O	ZINC000957797122	664218747	/nfs/dbraw/zinc/21/87/47/664218747.db2.gz	CEVRJULMAHKFSP-GHMZBOCLSA-N	-1	1	309.370	-1.183	20	0		DAADMM
Cn1[n-]c(CN2C[C@H](O)[C@H](CNC(=O)c3ccco3)C2)nc1=O	ZINC000957829936	664219901	/nfs/dbraw/zinc/21/99/01/664219901.db2.gz	DNEMOTFAJYASQT-ZJUUUORDSA-N	-1	1	321.337	-1.076	20	0		DAADMM
Cn1[n-]c(CN2C[C@H](O)[C@H](CNC(=O)c3ccon3)C2)nc1=O	ZINC000957897989	664223544	/nfs/dbraw/zinc/22/35/44/664223544.db2.gz	LOIDRVWURHSPHF-SCZZXKLOSA-N	-1	1	322.325	-1.681	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](CNC(=O)c3cocn3)[C@H](O)C2)nc1=O	ZINC000957926012	664226905	/nfs/dbraw/zinc/22/69/05/664226905.db2.gz	JVHSQWNPPZSHKM-PSASIEDQSA-N	-1	1	322.325	-1.681	20	0		DAADMM
Cn1[n-]c(CN2C[C@H](O)[C@@H](CNC(=O)C3CC=CC3)C2)nc1=O	ZINC000957943624	664227246	/nfs/dbraw/zinc/22/72/46/664227246.db2.gz	KBYWUUKSCIQFQY-RYUDHWBXSA-N	-1	1	321.381	-1.017	20	0		DAADMM
Cn1[n-]c(CN2C[C@H](O)[C@H](CNC(=O)C3CC=CC3)C2)nc1=O	ZINC000957943622	664227601	/nfs/dbraw/zinc/22/76/01/664227601.db2.gz	KBYWUUKSCIQFQY-NEPJUHHUSA-N	-1	1	321.381	-1.017	20	0		DAADMM
Cn1[n-]c(CN2C[C@H](O)[C@@H](CNC(=O)c3ncc[nH]3)C2)nc1=O	ZINC000958055955	664234629	/nfs/dbraw/zinc/23/46/29/664234629.db2.gz	IFDUUHPPXSJJQI-IUCAKERBSA-N	-1	1	321.341	-1.946	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](CNC(=O)c3ncc[nH]3)[C@H](O)C2)nc1=O	ZINC000958055956	664234835	/nfs/dbraw/zinc/23/48/35/664234835.db2.gz	IFDUUHPPXSJJQI-RKDXNWHRSA-N	-1	1	321.341	-1.946	20	0		DAADMM
Cn1[n-]c(CN2C[C@H](O)[C@@H](CNC(=O)c3cnco3)C2)nc1=O	ZINC000958288767	664252585	/nfs/dbraw/zinc/25/25/85/664252585.db2.gz	PUXNQBPCCKNLFA-IUCAKERBSA-N	-1	1	322.325	-1.681	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCOC2)nc1=O	ZINC000958362575	664261582	/nfs/dbraw/zinc/26/15/82/664261582.db2.gz	ZOIBWYXPHIUEKW-UXCLJVHYSA-N	-1	1	307.354	-1.309	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)N2)nc1=O	ZINC000958406189	664264352	/nfs/dbraw/zinc/26/43/52/664264352.db2.gz	SYXJJNCYRJRNEM-SREGZZRCSA-N	-1	1	320.353	-2.067	20	0		DAADMM
Cn1cnc(C(=O)N[C@@H]2[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]32)n1	ZINC000958787518	664293436	/nfs/dbraw/zinc/29/34/36/664293436.db2.gz	PAZSUSVTZGPCGC-MBTKJCJQSA-N	-1	1	318.341	-1.903	20	0		DAADMM
CC(=O)N1C[C@@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@@H]2C1	ZINC000959770954	664311033	/nfs/dbraw/zinc/31/10/33/664311033.db2.gz	IITJEBYHGNUKEX-TXEJJXNPSA-N	-1	1	320.349	-1.137	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ncnn2)nc1=O	ZINC000959897834	664313254	/nfs/dbraw/zinc/31/32/54/664313254.db2.gz	XRXPIIVOTMPBFD-VROVMSAKSA-N	-1	1	319.329	-2.659	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@]23C[C@H]2COC3)nc1=O	ZINC000959991299	664313992	/nfs/dbraw/zinc/31/39/92/664313992.db2.gz	IEDKUOBNKRKBSR-FBSDCJDYSA-N	-1	1	319.365	-1.309	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@H]1CCCN1C(=O)c1cn[nH]n1	ZINC000960726534	664324023	/nfs/dbraw/zinc/32/40/23/664324023.db2.gz	WNANBKBAGSJBMI-SECBINFHSA-N	-1	1	320.357	-1.037	20	0		DAADMM
CC(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@@H]1O	ZINC000961062902	664329984	/nfs/dbraw/zinc/32/99/84/664329984.db2.gz	CGXCISRWJRPZEO-ZJUUUORDSA-N	-1	1	310.310	-2.366	20	0		DAADMM
Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC000961435132	664339875	/nfs/dbraw/zinc/33/98/75/664339875.db2.gz	VOXGAGHMLIGTKN-VROVMSAKSA-N	-1	1	318.341	-1.605	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCNC2=O)nc1=O	ZINC000961455376	664341627	/nfs/dbraw/zinc/34/16/27/664341627.db2.gz	UCVNGQVPOINVRL-REIXXSIJSA-N	-1	1	320.353	-2.209	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)N2)nc1=O	ZINC000961632710	664348719	/nfs/dbraw/zinc/34/87/19/664348719.db2.gz	WIIOCUJFUMTSQA-JIOCBJNQSA-N	-1	1	321.341	-2.664	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccncn2)nc1=O	ZINC000962070279	664367479	/nfs/dbraw/zinc/36/74/79/664367479.db2.gz	ADMRJRAKNUFIJY-GDGBQDQQSA-N	-1	1	315.337	-1.241	20	0		DAADMM
O=C(Cc1nnc[nH]1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC000962251577	664371437	/nfs/dbraw/zinc/37/14/37/664371437.db2.gz	LZOIHIZULMRYSW-IIDWOEFGSA-N	-1	1	304.314	-1.583	20	0		DAADMM
CNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC000962408964	664375007	/nfs/dbraw/zinc/37/50/07/664375007.db2.gz	SFBWLXSUVBUQOS-QHOPCYEYSA-N	-1	1	324.341	-2.130	20	0		DAADMM
O=C(N[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O)c1ncccc1[O-]	ZINC000962435263	664375890	/nfs/dbraw/zinc/37/58/90/664375890.db2.gz	NODZQUOGOXCGAN-SCZZXKLOSA-N	-1	1	319.277	-1.215	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ccnc2)nc1=O	ZINC000963021131	664387429	/nfs/dbraw/zinc/38/74/29/664387429.db2.gz	OQLJVSGCPDHUEO-IWIIMEHWSA-N	-1	1	317.353	-1.449	20	0		DAADMM
NC(=O)C(=O)N[C@@H]1COC2(CN(C(=O)c3ncccc3[O-])C2)C1	ZINC000965796792	664433856	/nfs/dbraw/zinc/43/38/56/664433856.db2.gz	PAQZBQOXTBHXLT-QMMMGPOBSA-N	-1	1	320.305	-1.628	20	0		DAADMM
O=C(CN1CCCC1=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000966885610	664453513	/nfs/dbraw/zinc/45/35/13/664453513.db2.gz	BLDSMPIGVRPAQH-SECBINFHSA-N	-1	1	308.342	-1.177	20	0		DAADMM
Nc1nccnc1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000968028199	664469380	/nfs/dbraw/zinc/46/93/80/664469380.db2.gz	PFMKKYITSKCTMF-SSDOTTSWSA-N	-1	1	304.314	-1.113	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)c2cnccn2)nc1=O	ZINC001038025422	664473309	/nfs/dbraw/zinc/47/33/09/664473309.db2.gz	SWTMPFUDFLRWON-SECBINFHSA-N	-1	1	303.326	-1.097	20	0		DAADMM
Cn1ncc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)c1N	ZINC000968472788	664479333	/nfs/dbraw/zinc/47/93/33/664479333.db2.gz	KLYIVXBHFZGNPQ-SSDOTTSWSA-N	-1	1	306.330	-1.170	20	0		DAADMM
O=C(N[C@@H]1CN(C(=O)c2ccc(F)nc2)C[C@@H]1O)c1cnn[nH]1	ZINC000968694229	664482421	/nfs/dbraw/zinc/48/24/21/664482421.db2.gz	CLPMOHSITFPXFE-ZJUUUORDSA-N	-1	1	320.284	-1.046	20	0		DAADMM
O=C(N[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@@H]1O)c1cnn[nH]1	ZINC000968694292	664482647	/nfs/dbraw/zinc/48/26/47/664482647.db2.gz	FOODITMHQRDROC-IEBDPFPHSA-N	-1	1	309.326	-1.467	20	0		DAADMM
Cn1nccc1C(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1	ZINC000968694270	664482962	/nfs/dbraw/zinc/48/29/62/664482962.db2.gz	DMYMVESQKMNNQK-SCZZXKLOSA-N	-1	1	305.298	-1.847	20	0		DAADMM
O=C(C[C@@H]1CCNC1=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000968900886	664488013	/nfs/dbraw/zinc/48/80/13/664488013.db2.gz	UZAWIEAPDTUOGL-DTWKUNHWSA-N	-1	1	308.342	-1.273	20	0		DAADMM
Cn1cnc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)cc1=O	ZINC000968964589	664488767	/nfs/dbraw/zinc/48/87/67/664488767.db2.gz	LDWDIWOHGWKPIL-MRVPVSSYSA-N	-1	1	319.325	-1.392	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)nc1=O	ZINC001008379155	664501583	/nfs/dbraw/zinc/50/15/83/664501583.db2.gz	ZOXNMYOYMJSTOD-DTWKUNHWSA-N	-1	1	323.357	-2.130	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H](NC(=O)c3cnon3)C2)nc1=O	ZINC001008939660	664505097	/nfs/dbraw/zinc/50/50/97/664505097.db2.gz	VFWXJIZGKFOVKF-QMMMGPOBSA-N	-1	1	307.314	-1.114	20	0		DAADMM
NC(=O)CN1CCC[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001009206005	664505905	/nfs/dbraw/zinc/50/59/05/664505905.db2.gz	VRLPPGWPMUTMEE-QMMMGPOBSA-N	-1	1	319.325	-1.903	20	0		DAADMM
COCC(=O)N1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC001009821857	664511215	/nfs/dbraw/zinc/51/12/15/664511215.db2.gz	WHJKEXTVJCBEJS-UHFFFAOYSA-N	-1	1	320.309	-1.652	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3cnccn3)C2)nc1=O	ZINC001009973266	664511644	/nfs/dbraw/zinc/51/16/44/664511644.db2.gz	ZHESEBYFEWZHRI-SECBINFHSA-N	-1	1	303.326	-1.097	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3ccc(=O)[nH]n3)C2)nc1=O	ZINC001010038770	664512385	/nfs/dbraw/zinc/51/23/85/664512385.db2.gz	OMHJILSMDIAMAJ-MRVPVSSYSA-N	-1	1	319.325	-1.392	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)nc1=O	ZINC001010258381	664514220	/nfs/dbraw/zinc/51/42/20/664514220.db2.gz	SXLJWVKEHLKRRD-ZJUUUORDSA-N	-1	1	311.342	-1.786	20	0		DAADMM
Cn1cc(CC(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC001010364834	664514748	/nfs/dbraw/zinc/51/47/48/664514748.db2.gz	NSHFJGSICSPJPX-NSHDSACASA-N	-1	1	319.369	-1.225	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)nc1=O	ZINC001010378790	664514867	/nfs/dbraw/zinc/51/48/67/664514867.db2.gz	AGNVXCIHXPDVHI-DTWKUNHWSA-N	-1	1	308.342	-1.923	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@@H]3CN(C)CCO3)C2)nc1=O	ZINC001010429823	664515653	/nfs/dbraw/zinc/51/56/53/664515653.db2.gz	WKAOUGXCQACUKL-QWRGUYRKSA-N	-1	1	324.385	-1.871	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@H]3CCNC(=O)C3)C2)nc1=O	ZINC001010494425	664516414	/nfs/dbraw/zinc/51/64/14/664516414.db2.gz	BJBZICQNGZUATM-VHSXEESVSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1cnc(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC001010554401	664516432	/nfs/dbraw/zinc/51/64/32/664516432.db2.gz	XHPOJGNEUBNKIU-SECBINFHSA-N	-1	1	305.342	-1.154	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@@H]3COCCN3C)C2)nc1=O	ZINC001010689732	664517726	/nfs/dbraw/zinc/51/77/26/664517726.db2.gz	JDSCCIPDMUKYHK-MNOVXSKESA-N	-1	1	324.385	-1.871	20	0		DAADMM
Cn1nccc1CC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001010788662	664519104	/nfs/dbraw/zinc/51/91/04/664519104.db2.gz	JQZOGGMFSCSBMD-SNVBAGLBSA-N	-1	1	319.369	-1.225	20	0		DAADMM
Cn1nncc1C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001010822420	664520468	/nfs/dbraw/zinc/52/04/68/664520468.db2.gz	KTJIVKAXCQXMPB-QMMMGPOBSA-N	-1	1	306.330	-1.759	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)nc1=O	ZINC001010843026	664520978	/nfs/dbraw/zinc/52/09/78/664520978.db2.gz	QJMTWEJSNVCVST-JGVFFNPUSA-N	-1	1	310.314	-2.093	20	0		DAADMM
CCn1nncc1C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001010852760	664521279	/nfs/dbraw/zinc/52/12/79/664521279.db2.gz	FNWJDOUFQXZNGJ-VIFPVBQESA-N	-1	1	320.357	-1.276	20	0		DAADMM
CN1CC[C@@H](C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)C1=O	ZINC001038628304	664546958	/nfs/dbraw/zinc/54/69/58/664546958.db2.gz	LZVPWYHFSDDJCC-UWVGGRQHSA-N	-1	1	322.369	-1.723	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)nc1=O	ZINC001014711465	664556622	/nfs/dbraw/zinc/55/66/22/664556622.db2.gz	NXGTVOUYNRYPPD-NXEZZACHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
O=C(N[C@@H]1CCN(CCn2cncn2)C1)c1n[nH]c(=O)[n-]c1=O	ZINC001015120733	664561017	/nfs/dbraw/zinc/56/10/17/664561017.db2.gz	RKLQTNQLAAPZTP-MRVPVSSYSA-N	-1	1	320.313	-1.621	20	0		DAADMM
CN1C[C@H](C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)NC1=O	ZINC001015514001	664564612	/nfs/dbraw/zinc/56/46/12/664564612.db2.gz	NZAUIEBPBWZCSM-RKDXNWHRSA-N	-1	1	323.357	-2.178	20	0		DAADMM
CN1CC[C@H](C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)C1=O	ZINC001015551426	664564679	/nfs/dbraw/zinc/56/46/79/664564679.db2.gz	VNZZZXXTAACZCV-NXEZZACHSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN1CC(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)=NC1=O	ZINC001015657080	664566529	/nfs/dbraw/zinc/56/65/29/664566529.db2.gz	JRKGBQTXKBKPED-ZETCQYMHSA-N	-1	1	307.314	-1.046	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3ccnnc3)C2)nc1=O	ZINC001015748892	664567183	/nfs/dbraw/zinc/56/71/83/664567183.db2.gz	YZQHWSAXFLEVGA-SNVBAGLBSA-N	-1	1	303.326	-1.097	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)nc1=O	ZINC001015833308	664568214	/nfs/dbraw/zinc/56/82/14/664568214.db2.gz	BCIUNAILAUNCRY-VHSXEESVSA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)C[C@H]3CCC(=O)N3)C2)nc1=O	ZINC001015833310	664568341	/nfs/dbraw/zinc/56/83/41/664568341.db2.gz	BCIUNAILAUNCRY-ZJUUUORDSA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3ncccn3)C2)nc1=O	ZINC001015885916	664569302	/nfs/dbraw/zinc/56/93/02/664569302.db2.gz	VDQIUMCTCXRTHM-SECBINFHSA-N	-1	1	303.326	-1.097	20	0		DAADMM
Cc1nonc1CC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001015925070	664569756	/nfs/dbraw/zinc/56/97/56/664569756.db2.gz	ZBHZUIPOBPVMAD-SECBINFHSA-N	-1	1	321.341	-1.267	20	0		DAADMM
C[C@@H](C(N)=O)N1CC[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001015991940	664570453	/nfs/dbraw/zinc/57/04/53/664570453.db2.gz	IGNQYCANGJNURL-JGVFFNPUSA-N	-1	1	319.325	-1.905	20	0		DAADMM
NC(=O)CN1CCC2(C[C@@H]2NC(=O)Cn2c(=O)[n-][nH]c2=O)CC1	ZINC001016946906	664579153	/nfs/dbraw/zinc/57/91/53/664579153.db2.gz	HJVHZPPGAQXMNN-QMMMGPOBSA-N	-1	1	324.341	-1.855	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3CC[C@@H](C2)N3C(=O)CC(N)=O)nc1=O	ZINC001017432207	664580955	/nfs/dbraw/zinc/58/09/55/664580955.db2.gz	OTGZNCASKWRNNC-DTORHVGOSA-N	-1	1	308.342	-1.841	20	0		DAADMM
O=C(CN1CN=NC1=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001018748338	664589610	/nfs/dbraw/zinc/58/96/10/664589610.db2.gz	WSBUKFCDZPWKEQ-ZETCQYMHSA-N	-1	1	308.302	-1.802	20	0		DAADMM
CCN1CCOC[C@@H]1C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019066673	664593954	/nfs/dbraw/zinc/59/39/54/664593954.db2.gz	RQIQQUNUGYTOLO-WDEREUQCSA-N	-1	1	324.385	-1.079	20	0		DAADMM
O=C([C@@H]1CCC(=O)NC1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019073833	664593961	/nfs/dbraw/zinc/59/39/61/664593961.db2.gz	KEGFNHLCONXIDY-BDAKNGLRSA-N	-1	1	308.342	-1.273	20	0		DAADMM
Cn1nncc1CN[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001019094605	664594426	/nfs/dbraw/zinc/59/44/26/664594426.db2.gz	CKJRMTYGPRRKGX-ZETCQYMHSA-N	-1	1	320.313	-1.584	20	0		DAADMM
Cn1cc(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)ncc1=O	ZINC001019166962	664595033	/nfs/dbraw/zinc/59/50/33/664595033.db2.gz	BSWXPEJAXPHVCE-QMMMGPOBSA-N	-1	1	319.325	-1.392	20	0		DAADMM
CN1C(=O)CC[C@H]1C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019248145	664596512	/nfs/dbraw/zinc/59/65/12/664596512.db2.gz	UXCMLSNIMNNNGP-IUCAKERBSA-N	-1	1	308.342	-1.178	20	0		DAADMM
CN1C[C@@H](C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)NC1=O	ZINC001019240401	664596708	/nfs/dbraw/zinc/59/67/08/664596708.db2.gz	KHLWUHIGPXVERO-YUMQZZPRSA-N	-1	1	309.330	-1.776	20	0		DAADMM
CN1C(=O)CC[C@@H]1C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019278250	664597860	/nfs/dbraw/zinc/59/78/60/664597860.db2.gz	UXCMLSNIMNNNGP-DTWKUNHWSA-N	-1	1	308.342	-1.178	20	0		DAADMM
Cn1cc(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)[nH]c1=O	ZINC001019330063	664599018	/nfs/dbraw/zinc/59/90/18/664599018.db2.gz	MAMGCWQUSMSCJY-ZETCQYMHSA-N	-1	1	307.314	-1.046	20	0		DAADMM
NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)O1	ZINC001019376895	664600413	/nfs/dbraw/zinc/60/04/13/664600413.db2.gz	CKRFPUHZNVNUDD-XHNCKOQMSA-N	-1	1	324.341	-1.766	20	0		DAADMM
C[C@]1(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)CCNC1=O	ZINC001019375284	664600479	/nfs/dbraw/zinc/60/04/79/664600479.db2.gz	ATGKAEMRRVKJHC-SDBXPKJASA-N	-1	1	308.342	-1.273	20	0		DAADMM
Cc1nc(CN[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)n[nH]1	ZINC001019710245	664603593	/nfs/dbraw/zinc/60/35/93/664603593.db2.gz	JTAJPWHMGMMZRK-QMMMGPOBSA-N	-1	1	322.329	-1.493	20	0		DAADMM
Cn1cc(CN[C@H]2C[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)nn1	ZINC001020353059	664611969	/nfs/dbraw/zinc/61/19/69/664611969.db2.gz	NFAZKBNOADDIDW-LJGSYFOKSA-N	-1	1	320.313	-1.538	20	0		DAADMM
Cn1nncc1C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001038209605	664612030	/nfs/dbraw/zinc/61/20/30/664612030.db2.gz	XWPUYXNCBZBDGS-QMMMGPOBSA-N	-1	1	306.330	-1.759	20	0		DAADMM
Cn1cnc(C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)c1	ZINC001038163610	664612354	/nfs/dbraw/zinc/61/23/54/664612354.db2.gz	KMNIZGHJTYAGLG-VIFPVBQESA-N	-1	1	305.342	-1.154	20	0		DAADMM
Cn1ncc(C(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)c1N	ZINC001038185419	664612409	/nfs/dbraw/zinc/61/24/09/664612409.db2.gz	FNUYYIOEKDNNTL-MRVPVSSYSA-N	-1	1	320.357	-1.572	20	0		DAADMM
Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001038374417	664612693	/nfs/dbraw/zinc/61/26/93/664612693.db2.gz	QYUIDLGQMLLZDE-MRVPVSSYSA-N	-1	1	321.341	-1.150	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@H]2CCC(=O)NC2)nc1=O	ZINC001038452787	664613725	/nfs/dbraw/zinc/61/37/25/664613725.db2.gz	SGBFJIFLZMZAOX-VHSXEESVSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)nc1=O	ZINC001038653979	664615713	/nfs/dbraw/zinc/61/57/13/664615713.db2.gz	GCYWBDYSQYLCSC-JGVFFNPUSA-N	-1	1	309.330	-2.520	20	0		DAADMM
CN1CC(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[n-]2)=NC1=O	ZINC001038656789	664616100	/nfs/dbraw/zinc/61/61/00/664616100.db2.gz	GICZESMCFRWRGX-ZETCQYMHSA-N	-1	1	307.314	-1.046	20	0		DAADMM
Cn1cc(C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)[nH]c1=O	ZINC001038658072	664616217	/nfs/dbraw/zinc/61/62/17/664616217.db2.gz	QRWZWRKXCBWRHD-QMMMGPOBSA-N	-1	1	321.341	-1.448	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)CC(N)=O)nc1=O	ZINC001039348649	664619035	/nfs/dbraw/zinc/61/90/35/664619035.db2.gz	ZGIOCFUBQGABHF-ZJUUUORDSA-N	-1	1	322.369	-1.451	20	0		DAADMM
Cc1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)no1	ZINC001083322927	677689367	/nfs/dbraw/zinc/68/93/67/677689367.db2.gz	GZGDXUVNIMKMSX-ZJUUUORDSA-N	-1	1	322.325	-1.620	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)nc1=O	ZINC001083330403	677690502	/nfs/dbraw/zinc/69/05/02/677690502.db2.gz	UPNCWVOVQIWKDH-SFYZADRCSA-N	-1	1	323.317	-3.544	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)c2cnc[nH]c2=O)nc1=O	ZINC001038386520	677823217	/nfs/dbraw/zinc/82/32/17/677823217.db2.gz	MVQJHVHWRZGVBC-QMMMGPOBSA-N	-1	1	319.325	-1.392	20	0		DAADMM
CN1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001083573447	677800785	/nfs/dbraw/zinc/80/07/85/677800785.db2.gz	JGBUYYAXKCXPML-VWYCJHECSA-N	-1	1	324.385	-1.344	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CC(=O)N(C)C1	ZINC000912541007	677818681	/nfs/dbraw/zinc/81/86/81/677818681.db2.gz	BUVZXKDONBQCIN-ZCFIWIBFSA-N	-1	1	302.312	-1.295	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCN1CCOCC1	ZINC000912528552	677818755	/nfs/dbraw/zinc/81/87/55/677818755.db2.gz	WKCSHTLEINJEJI-UHFFFAOYSA-N	-1	1	318.355	-1.193	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCC(=O)N(C)C	ZINC000912530712	677818771	/nfs/dbraw/zinc/81/87/71/677818771.db2.gz	ONUOIHYOUVOAPE-UHFFFAOYSA-N	-1	1	304.328	-1.047	20	0		DAADMM
CC[C@H](C(N)=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001080049783	678030729	/nfs/dbraw/zinc/03/07/29/678030729.db2.gz	OVZHGFCAJACQBY-BWZBUEFSSA-N	-1	1	324.341	-1.403	20	0		DAADMM
COCC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O	ZINC001081178420	678053660	/nfs/dbraw/zinc/05/36/60/678053660.db2.gz	NGUCATQBXRMJAT-GXSJLCMTSA-N	-1	1	309.322	-1.017	20	0		DAADMM
C[C@@H](NC(=O)c1cn(C)nn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000969612242	677681428	/nfs/dbraw/zinc/68/14/28/677681428.db2.gz	JFXFZRMZVWKWKW-MRVPVSSYSA-N	-1	1	320.357	-1.513	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)nc1=O	ZINC001039427299	677682721	/nfs/dbraw/zinc/68/27/21/677682721.db2.gz	PFTKCMDAWQLMMN-BDAKNGLRSA-N	-1	1	308.342	-1.841	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)C3CCCC3)[C@@H](O)C2)nc1=O	ZINC001083301961	677687283	/nfs/dbraw/zinc/68/72/83/677687283.db2.gz	IYZQMFGKQFAXIM-MNOVXSKESA-N	-1	1	309.370	-1.040	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)C(C)(F)F)[C@@H](O)C2)nc1=O	ZINC001083304155	677687322	/nfs/dbraw/zinc/68/73/22/677687322.db2.gz	JAHVNCQXJCMDHY-RQJHMYQMSA-N	-1	1	305.285	-1.575	20	0		DAADMM
Cc1ncc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)[nH]1	ZINC001083371282	677692143	/nfs/dbraw/zinc/69/21/43/677692143.db2.gz	JBZPTDNEKCNYEZ-ZJUUUORDSA-N	-1	1	321.341	-1.885	20	0		DAADMM
CC1CC(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)C1	ZINC001083397913	677693501	/nfs/dbraw/zinc/69/35/01/677693501.db2.gz	FLHLWWSUEWNFNZ-LXKPXOPUSA-N	-1	1	309.370	-1.184	20	0		DAADMM
O=C(CN1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1)N1CCC1	ZINC001083421160	677699926	/nfs/dbraw/zinc/69/99/26/677699926.db2.gz	LZZPXFBNBULYPT-PWSUYJOCSA-N	-1	1	320.349	-1.206	20	0		DAADMM
CC[C@H](C(N)=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC001083423433	677700916	/nfs/dbraw/zinc/70/09/16/677700916.db2.gz	VWHAJVFVLURMCQ-KKZNHRDASA-N	-1	1	308.338	-1.174	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1	ZINC001029720958	677703275	/nfs/dbraw/zinc/70/32/75/677703275.db2.gz	OWUHCPAYXOMLBA-BDAKNGLRSA-N	-1	1	324.341	-1.101	20	0		DAADMM
CN(C(=O)C[C@H]1COC(=O)C1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042615157	677705213	/nfs/dbraw/zinc/70/52/13/677705213.db2.gz	GNJPIGYNWCHAGY-SECBINFHSA-N	-1	1	323.353	-1.296	20	0		DAADMM
Cn1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)nn1	ZINC001083439069	677713155	/nfs/dbraw/zinc/71/31/55/677713155.db2.gz	NGDXVJRSHIPWKG-APPZFPTMSA-N	-1	1	322.329	-2.788	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C(C)(F)F)C2)nc1=O	ZINC001076677099	677748589	/nfs/dbraw/zinc/74/85/89/677748589.db2.gz	JAHVNCQXJCMDHY-RNFRBKRXSA-N	-1	1	305.285	-1.575	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3cccnc3)C2)nc1=O	ZINC001076676022	677748761	/nfs/dbraw/zinc/74/87/61/677748761.db2.gz	CBKHEYBIHGRPAO-GHMZBOCLSA-N	-1	1	318.337	-1.522	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)nc1=O	ZINC001076673778	677749044	/nfs/dbraw/zinc/74/90/44/677749044.db2.gz	BSBATHWTLPGXOQ-GHMZBOCLSA-N	-1	1	318.337	-1.522	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)nc1=O	ZINC001076716017	677751299	/nfs/dbraw/zinc/75/12/99/677751299.db2.gz	BEPQPJQUHVPGPG-OPRDCNLKSA-N	-1	1	311.342	-2.051	20	0		DAADMM
Cc1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)no1	ZINC001076718597	677752465	/nfs/dbraw/zinc/75/24/65/677752465.db2.gz	GZGDXUVNIMKMSX-NXEZZACHSA-N	-1	1	322.325	-1.620	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)nc1=O	ZINC001076763314	677754866	/nfs/dbraw/zinc/75/48/66/677754866.db2.gz	KGFSIIBOMZNHPX-RKDXNWHRSA-N	-1	1	307.314	-2.193	20	0		DAADMM
Cc1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)[nH]n1	ZINC001076774476	677755795	/nfs/dbraw/zinc/75/57/95/677755795.db2.gz	VUTVFYDFKOZYQO-NXEZZACHSA-N	-1	1	321.341	-1.885	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)nc1=O	ZINC001076792382	677757124	/nfs/dbraw/zinc/75/71/24/677757124.db2.gz	UPUGRLMQVPZEJM-IVZWLZJFSA-N	-1	1	311.342	-2.194	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)nc1=O	ZINC001076804232	677757875	/nfs/dbraw/zinc/75/78/75/677757875.db2.gz	DQBHRIGJTHBPKP-VXNVDRBHSA-N	-1	1	308.298	-1.929	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3cscn3)C2)nc1=O	ZINC001076803526	677758074	/nfs/dbraw/zinc/75/80/74/677758074.db2.gz	IPCQESZSBRZOPX-VXNVDRBHSA-N	-1	1	324.366	-1.460	20	0		DAADMM
O=C(N[C@@H]1CN(CCn2cncn2)C[C@H]1O)c1ncccc1[O-]	ZINC001076916912	677769478	/nfs/dbraw/zinc/76/94/78/677769478.db2.gz	IBQGBYVFZNLCHV-ZYHUDNBSSA-N	-1	1	318.337	-1.146	20	0		DAADMM
CC[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001076917206	677769656	/nfs/dbraw/zinc/76/96/56/677769656.db2.gz	VWHAJVFVLURMCQ-FXPVBKGRSA-N	-1	1	308.338	-1.174	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)nc1=O	ZINC001077041631	677780254	/nfs/dbraw/zinc/78/02/54/677780254.db2.gz	ZPOXMVJUDQMCRV-NXEZZACHSA-N	-1	1	306.326	-1.588	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3ccns3)C2)nc1=O	ZINC001077079341	677782330	/nfs/dbraw/zinc/78/23/30/677782330.db2.gz	GWBVZYCNSAVUPL-HTQZYQBOSA-N	-1	1	324.366	-1.460	20	0		DAADMM
O=C(N[C@@H]1CN(CCCF)C[C@H]1O)c1n[nH]c(=O)[n-]c1=O	ZINC001077310154	677798868	/nfs/dbraw/zinc/79/88/68/677798868.db2.gz	YWLLYENMMUXRCF-RNFRBKRXSA-N	-1	1	301.278	-1.583	20	0		DAADMM
C[C@@H](F)CCN1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1	ZINC001083606583	677810881	/nfs/dbraw/zinc/81/08/81/677810881.db2.gz	GAPVPFHEQZMRBH-PRJMDXOYSA-N	-1	1	315.305	-1.194	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1COCCO1	ZINC000912543634	677819222	/nfs/dbraw/zinc/81/92/22/677819222.db2.gz	FUUMINSWYGISMY-ZETCQYMHSA-N	-1	1	305.312	-1.110	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCNC3=O)C2)nc1=O	ZINC001077506825	677833755	/nfs/dbraw/zinc/83/37/55/677833755.db2.gz	LQLQDAOYJNUOJP-DJLDLDEBSA-N	-1	1	324.341	-3.094	20	0		DAADMM
Cc1n[nH]cc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001083686186	677835615	/nfs/dbraw/zinc/83/56/15/677835615.db2.gz	GDJVSFFRPKKGGE-ZJUUUORDSA-N	-1	1	321.341	-1.885	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C3(C)CCC3)C2)nc1=O	ZINC001077519146	677837736	/nfs/dbraw/zinc/83/77/36/677837736.db2.gz	GJSCMLUXJSTFHT-NXEZZACHSA-N	-1	1	309.370	-1.040	20	0		DAADMM
Cc1coc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)c1	ZINC001083713712	677845638	/nfs/dbraw/zinc/84/56/38/677845638.db2.gz	IIQZBOUOIDNUFZ-ZJUUUORDSA-N	-1	1	321.337	-1.015	20	0		DAADMM
CN(C(=O)C(F)F)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001047268762	677858494	/nfs/dbraw/zinc/85/84/94/677858494.db2.gz	UUXVBNOUQXVWFP-BQBZGAKWSA-N	-1	1	305.285	-1.623	20	0		DAADMM
C[C@H]1CCCN1CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001083778464	677862532	/nfs/dbraw/zinc/86/25/32/677862532.db2.gz	NRBYUOBTMLJHJR-AXFHLTTASA-N	-1	1	324.385	-1.344	20	0		DAADMM
CC(=O)NC[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)CCO1	ZINC000944428162	677863958	/nfs/dbraw/zinc/86/39/58/677863958.db2.gz	BIYBRGOTSVXSJJ-LLVKDONJSA-N	-1	1	324.337	-1.710	20	0		DAADMM
CC(=O)NC[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)CCO1	ZINC000944429179	677863987	/nfs/dbraw/zinc/86/39/87/677863987.db2.gz	SNWUPGOOWUBQTH-SECBINFHSA-N	-1	1	320.309	-1.605	20	0		DAADMM
Cc1nocc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001077608217	677869049	/nfs/dbraw/zinc/86/90/49/677869049.db2.gz	VXYFPMUYSZCMBZ-NXEZZACHSA-N	-1	1	322.325	-1.620	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC34CC4)C2)nc1=O	ZINC001077732387	677877326	/nfs/dbraw/zinc/87/73/26/677877326.db2.gz	FMTGZUCBNOZARX-OPRDCNLKSA-N	-1	1	307.354	-1.430	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC34CC4)C2)nc1=O	ZINC001077732386	677877550	/nfs/dbraw/zinc/87/75/50/677877550.db2.gz	FMTGZUCBNOZARX-IVZWLZJFSA-N	-1	1	307.354	-1.430	20	0		DAADMM
CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001083791190	677883231	/nfs/dbraw/zinc/88/32/31/677883231.db2.gz	YXVUFNBYSURRSB-DBIOUOCHSA-N	-1	1	309.370	-1.184	20	0		DAADMM
C[C@@H](CCNC(=O)c1ncn[nH]1)NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001077830968	677886800	/nfs/dbraw/zinc/88/68/00/677886800.db2.gz	AVDNYXUUICQBAN-LURJTMIESA-N	-1	1	324.301	-1.868	20	0		DAADMM
C[C@@H](CCNC(=O)c1nc[nH]n1)NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001077830968	677886803	/nfs/dbraw/zinc/88/68/03/677886803.db2.gz	AVDNYXUUICQBAN-LURJTMIESA-N	-1	1	324.301	-1.868	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3ncccn3)C2)nc1=O	ZINC001077879156	677896206	/nfs/dbraw/zinc/89/62/06/677896206.db2.gz	SZAARJGTTPEUQE-RKDXNWHRSA-N	-1	1	319.325	-2.127	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)Cc2nnc[nH]2)nc1=O	ZINC001032723371	677896799	/nfs/dbraw/zinc/89/67/99/677896799.db2.gz	FHZGYYWOYWWQRW-IUCAKERBSA-N	-1	1	318.341	-1.746	20	0		DAADMM
Cc1c[nH]cc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001078173391	677917473	/nfs/dbraw/zinc/91/74/73/677917473.db2.gz	WKTLCXLMRKDXCR-GHMZBOCLSA-N	-1	1	320.353	-1.280	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)Cn3ccnc3)C2)nc1=O	ZINC001078270356	677921531	/nfs/dbraw/zinc/92/15/31/677921531.db2.gz	SMLYBIKMSPYXHZ-NXEZZACHSA-N	-1	1	321.341	-2.334	20	0		DAADMM
O=C(c1cn[nH]n1)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001078424429	677925268	/nfs/dbraw/zinc/92/52/68/677925268.db2.gz	UCHZYDWRLFLSDH-MRVPVSSYSA-N	-1	1	322.329	-1.351	20	0		DAADMM
O=C(c1nc[nH]n1)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001078487293	677926560	/nfs/dbraw/zinc/92/65/60/677926560.db2.gz	HXMJTJSMBCTIPP-MRVPVSSYSA-N	-1	1	322.329	-1.351	20	0		DAADMM
NC(=O)C(=O)NC[C@@H]1COCCN1C(=O)c1ncccc1[O-]	ZINC001061841851	677970193	/nfs/dbraw/zinc/97/01/93/677970193.db2.gz	JDSKAGPLNNAUKP-MRVPVSSYSA-N	-1	1	308.294	-1.770	20	0		DAADMM
CC(=O)N1CCO[C@@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001064710626	677998287	/nfs/dbraw/zinc/99/82/87/677998287.db2.gz	VQDZYTGEBCRKBG-NSHDSACASA-N	-1	1	324.337	-1.710	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1nnn(C)n1	ZINC001080279083	678033458	/nfs/dbraw/zinc/03/34/58/678033458.db2.gz	IQVJMCRAULOGKT-HTQZYQBOSA-N	-1	1	321.345	-2.118	20	0		DAADMM
NC(=O)C(=O)N1CCC(CO)(NC(=O)c2ncccc2[O-])CC1	ZINC001080826826	678042073	/nfs/dbraw/zinc/04/20/73/678042073.db2.gz	YALQBGZMFDOXAA-UHFFFAOYSA-N	-1	1	322.321	-1.644	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1	ZINC001080812295	678042172	/nfs/dbraw/zinc/04/21/72/678042172.db2.gz	ZYSKQNZSXCLNMN-KXUCPTDWSA-N	-1	1	322.369	-1.677	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)Cn1ccnc1	ZINC001081036095	678047324	/nfs/dbraw/zinc/04/73/24/678047324.db2.gz	MYPUVYHCDZTTLM-GHMZBOCLSA-N	-1	1	319.369	-1.058	20	0		DAADMM
NC(=O)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001081713496	678097507	/nfs/dbraw/zinc/09/75/07/678097507.db2.gz	LSFCMIDPWUOOPA-APPZFPTMSA-N	-1	1	308.294	-2.178	20	0		DAADMM
CO[C@@H]1CN(C[C@@H](C)O)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001081899532	678107726	/nfs/dbraw/zinc/10/77/26/678107726.db2.gz	WOGBECCOIQGYHG-BWZBUEFSSA-N	-1	1	313.314	-1.907	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082449163	678117685	/nfs/dbraw/zinc/11/76/85/678117685.db2.gz	OINCTYPJZXSEHW-IWSPIJDZSA-N	-1	1	308.342	-1.275	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082714098	678119354	/nfs/dbraw/zinc/11/93/54/678119354.db2.gz	VTDCTNJISOUGST-BWZBUEFSSA-N	-1	1	309.330	-1.872	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082738444	678119608	/nfs/dbraw/zinc/11/96/08/678119608.db2.gz	PDWWLUYEPOWQSN-RFXMVYNHSA-N	-1	1	322.369	-1.027	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)C(F)F)[C@H]3C2)nc1=O	ZINC001082972386	678120443	/nfs/dbraw/zinc/12/04/43/678120443.db2.gz	ZDGIXWUUMCNUJA-JGVFFNPUSA-N	-1	1	317.296	-1.215	20	0		DAADMM
COCC(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]21	ZINC001082969522	678120465	/nfs/dbraw/zinc/12/04/65/678120465.db2.gz	YPAYRDBZRMJOJT-VHSXEESVSA-N	-1	1	311.342	-1.834	20	0		DAADMM
Cn1[n-]c(CN2CCC3(CN(C(=O)CC(N)=O)C3)C2)nc1=O	ZINC001072565381	678158446	/nfs/dbraw/zinc/15/84/46/678158446.db2.gz	WJZXFEDNIXCWJE-UHFFFAOYSA-N	-1	1	308.342	-1.982	20	0		DAADMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCNC(=O)NC	ZINC000397448235	678159132	/nfs/dbraw/zinc/15/91/32/678159132.db2.gz	YOLDZHZXTSRUOZ-UHFFFAOYSA-N	-1	1	319.343	-1.206	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)[C@@H]1CCNC1=O	ZINC001074795182	678204698	/nfs/dbraw/zinc/20/46/98/678204698.db2.gz	WUZIZWXTTPJZCB-YIZRAAEISA-N	-1	1	308.342	-1.275	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)[C@H]1C[C@H]1C(N)=O	ZINC001074885100	678205665	/nfs/dbraw/zinc/20/56/65/678205665.db2.gz	RSXIGYOFONPJLK-KZVJFYERSA-N	-1	1	308.342	-1.289	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)c2c[nH]c(=O)cn2)nc1=O	ZINC001038637819	678219919	/nfs/dbraw/zinc/21/99/19/678219919.db2.gz	FFTPKYSPUHKUFW-QMMMGPOBSA-N	-1	1	319.325	-1.804	20	0		DAADMM
NC(=O)CN1CC[C@@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001038919764	678221415	/nfs/dbraw/zinc/22/14/15/678221415.db2.gz	FRXODHRXIIHHLK-SSDOTTSWSA-N	-1	1	305.298	-2.293	20	0		DAADMM
CC(=O)N1CC[C@](O)(CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001040308594	678238255	/nfs/dbraw/zinc/23/82/55/678238255.db2.gz	GSZCBJVRYLHFSU-AWEZNQCLSA-N	-1	1	324.337	-1.974	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@]3(CCN(C(=O)C(N)=O)C3)C2)nc1=O	ZINC001040365369	678239541	/nfs/dbraw/zinc/23/95/41/678239541.db2.gz	PVPWMECAESLZJD-AWEZNQCLSA-N	-1	1	322.369	-1.592	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@]3(CCN(C(=O)CC(N)=O)C3)C2)nc1=O	ZINC001041152676	678266571	/nfs/dbraw/zinc/26/65/71/678266571.db2.gz	NGVINIYQWWVJOC-CQSZACIVSA-N	-1	1	322.369	-1.592	20	0		DAADMM
O=C(NCC1(O)CN(C(=O)c2nc[nH]n2)C1)c1ncccc1[O-]	ZINC001042715805	678339945	/nfs/dbraw/zinc/33/99/45/678339945.db2.gz	AWGARXLUCBPLKI-UHFFFAOYSA-N	-1	1	318.293	-1.478	20	0		DAADMM
CNC(=O)CC(=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001042712569	678340017	/nfs/dbraw/zinc/34/00/17/678340017.db2.gz	COIWPWDNUVXXFD-UHFFFAOYSA-N	-1	1	322.321	-1.774	20	0		DAADMM
CN(C(=O)c1cn[nH]c(=O)c1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043001877	678361187	/nfs/dbraw/zinc/36/11/87/678361187.db2.gz	ARTXMQZETWNYQU-UHFFFAOYSA-N	-1	1	319.325	-1.440	20	0		DAADMM
CN(C(=O)[C@H]1CCCC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043017585	678361867	/nfs/dbraw/zinc/36/18/67/678361867.db2.gz	IVTBFRIGGYPANQ-SNVBAGLBSA-N	-1	1	322.369	-1.580	20	0		DAADMM
CN(C(=O)[C@@]1(C)CCNC1=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043856129	678401754	/nfs/dbraw/zinc/40/17/54/678401754.db2.gz	IJXQRQGXRMFUPM-AWEZNQCLSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043895831	678404918	/nfs/dbraw/zinc/40/49/18/678404918.db2.gz	WKUXBPOMIKSFPV-BDAKNGLRSA-N	-1	1	308.342	-2.128	20	0		DAADMM
CC(=O)N1CC(O)(CNC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001043897090	678404984	/nfs/dbraw/zinc/40/49/84/678404984.db2.gz	VLAQFGARHOMPJF-UHFFFAOYSA-N	-1	1	310.310	-2.364	20	0		DAADMM
CC(=O)N1CC(O)(CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001043991027	678408461	/nfs/dbraw/zinc/40/84/61/678408461.db2.gz	DHQIDWUAQAEGRG-UHFFFAOYSA-N	-1	1	306.282	-2.259	20	0		DAADMM
C[C@@H](C(N)=O)N1CC(N(C)C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001044181083	678415150	/nfs/dbraw/zinc/41/51/50/678415150.db2.gz	VOGNPVYDDKVXDI-ZETCQYMHSA-N	-1	1	319.325	-1.952	20	0		DAADMM
CNC(=O)CN1CC(N(C)C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001044182849	678415328	/nfs/dbraw/zinc/41/53/28/678415328.db2.gz	ZZOLQKIEVHKINR-UHFFFAOYSA-N	-1	1	319.325	-2.080	20	0		DAADMM
NC(=O)C1(C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)CC1	ZINC001045180036	678448710	/nfs/dbraw/zinc/44/87/10/678448710.db2.gz	OKFDXSVWXIBFHQ-QMMMGPOBSA-N	-1	1	308.342	-1.144	20	0		DAADMM
O=C([C@@H]1CCC(=O)N1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001045280046	678453990	/nfs/dbraw/zinc/45/39/90/678453990.db2.gz	BQFQRVIPLALGFV-IUCAKERBSA-N	-1	1	308.342	-1.131	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](C)(NC(=O)[C@H]3CCC(=O)N3)C2)nc1=O	ZINC001046196523	678478310	/nfs/dbraw/zinc/47/83/10/678478310.db2.gz	DLSGJXQYHXHCMV-OTYXRUKQSA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cn1nnc(C(=O)N[C@]2(C)CCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001046542877	678484860	/nfs/dbraw/zinc/48/48/60/678484860.db2.gz	BIVDHRGBPXTCSU-GFCCVEGCSA-N	-1	1	321.345	-1.974	20	0		DAADMM
Cn1nnc(C(=O)N[C@@]2(C)CCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001046542880	678484951	/nfs/dbraw/zinc/48/49/51/678484951.db2.gz	BIVDHRGBPXTCSU-LBPRGKRZSA-N	-1	1	321.345	-1.974	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](C)(NC(=O)[C@@H]3CNC(=O)N3)C2)nc1=O	ZINC001046589231	678486990	/nfs/dbraw/zinc/48/69/90/678486990.db2.gz	TWRZWJLQQXPNIY-ISVAXAHUSA-N	-1	1	323.357	-2.130	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](C)(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)nc1=O	ZINC001046627052	678487536	/nfs/dbraw/zinc/48/75/36/678487536.db2.gz	FTZQWSQLVIPIJU-ITMYJUKJSA-N	-1	1	322.369	-1.690	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](C)(NC(=O)c3cnon3)C2)nc1=O	ZINC001046720033	678490207	/nfs/dbraw/zinc/49/02/07/678490207.db2.gz	UNAIAPKAICAFOL-LBPRGKRZSA-N	-1	1	307.314	-1.114	20	0		DAADMM
CN(C(=O)CC1CC1)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001047275735	678502442	/nfs/dbraw/zinc/50/24/42/678502442.db2.gz	WYROQHUMQNDJRT-QWRGUYRKSA-N	-1	1	309.370	-1.088	20	0		DAADMM
CN(C(=O)c1ccon1)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001047310338	678505689	/nfs/dbraw/zinc/50/56/89/678505689.db2.gz	ASNPBQRBRLJSSW-UWVGGRQHSA-N	-1	1	322.325	-1.586	20	0		DAADMM
Cc1cc(C(=O)N(C)[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)n[nH]1	ZINC001047315696	678506366	/nfs/dbraw/zinc/50/63/66/678506366.db2.gz	MDFHOFTXMBNXQP-UWVGGRQHSA-N	-1	1	321.341	-1.141	20	0		DAADMM
CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CN(CCCO)C[C@@H]1O	ZINC001047444761	678520590	/nfs/dbraw/zinc/52/05/90/678520590.db2.gz	IPJKDLYDTFYIBB-YUMQZZPRSA-N	-1	1	313.314	-2.218	20	0		DAADMM
C[C@@H](O)CN1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001047444755	678520947	/nfs/dbraw/zinc/52/09/47/678520947.db2.gz	IEGBKCSVJILNCD-CSMHCCOUSA-N	-1	1	313.314	-2.219	20	0		DAADMM
CN(C(=O)[C@@H]1CC12CC2)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001047543010	678529003	/nfs/dbraw/zinc/52/90/03/678529003.db2.gz	IFPKQHYDJKHRNR-DCAQKATOSA-N	-1	1	321.381	-1.088	20	0		DAADMM
CN(C(=O)c1cc(=O)n2[n-]cnc2n1)[C@H]1CN(CCF)C[C@@H]1O	ZINC001047593589	678534503	/nfs/dbraw/zinc/53/45/03/678534503.db2.gz	NXDMJSZOESHUCR-UWVGGRQHSA-N	-1	1	324.316	-1.496	20	0		DAADMM
NC(=O)CN1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1	ZINC001048919476	678566641	/nfs/dbraw/zinc/56/66/41/678566641.db2.gz	VAWOGNYCCCUZGI-KNVOCYPGSA-N	-1	1	308.298	-2.228	20	0		DAADMM
CNC(=O)CN1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1	ZINC001048918873	678566657	/nfs/dbraw/zinc/56/66/57/678566657.db2.gz	FDRNMYPROBDQQS-OCAPTIKFSA-N	-1	1	322.325	-1.967	20	0		DAADMM
CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001049084857	678573804	/nfs/dbraw/zinc/57/38/04/678573804.db2.gz	LQVYVUOKBUREHA-QWRGUYRKSA-N	-1	1	324.337	-2.023	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]3[C@@H]2CCCN3C(=O)C(N)=O)nc1=O	ZINC001049690639	678585050	/nfs/dbraw/zinc/58/50/50/678585050.db2.gz	HQFCRAZZRJBTTM-DTWKUNHWSA-N	-1	1	308.342	-1.841	20	0		DAADMM
CCN1CC2(C1)CN(C(=O)CCn1cc[n-]c(=O)c1=O)CCO2	ZINC001053474875	678605565	/nfs/dbraw/zinc/60/55/65/678605565.db2.gz	USDLUFYEBCTTQM-UHFFFAOYSA-N	-1	1	322.365	-1.140	20	0		DAADMM
Cn1[n-]c(CN2CC3(C2)C[C@@H](NC(=O)C(N)=O)CO3)nc1=O	ZINC001053911742	678622221	/nfs/dbraw/zinc/62/22/21/678622221.db2.gz	LRONPEWXWWGPFN-SSDOTTSWSA-N	-1	1	310.314	-2.947	20	0		DAADMM
O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1ncn[nH]1	ZINC001053960084	678625165	/nfs/dbraw/zinc/62/51/65/678625165.db2.gz	NVAJXSSRZFOJPI-ZETCQYMHSA-N	-1	1	320.313	-1.598	20	0		DAADMM
O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1nc[nH]n1	ZINC001053960084	678625170	/nfs/dbraw/zinc/62/51/70/678625170.db2.gz	NVAJXSSRZFOJPI-ZETCQYMHSA-N	-1	1	320.313	-1.598	20	0		DAADMM
C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054367490	678630641	/nfs/dbraw/zinc/63/06/41/678630641.db2.gz	RBCNFZGYRTXNRQ-YUMQZZPRSA-N	-1	1	307.318	-1.867	20	0		DAADMM
C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054367489	678630817	/nfs/dbraw/zinc/63/08/17/678630817.db2.gz	RBCNFZGYRTXNRQ-SFYZADRCSA-N	-1	1	307.318	-1.867	20	0		DAADMM
C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054461472	678631545	/nfs/dbraw/zinc/63/15/45/678631545.db2.gz	PEXJZDQIDVLHFL-YUMQZZPRSA-N	-1	1	317.371	-1.509	20	0		DAADMM
C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054461469	678631661	/nfs/dbraw/zinc/63/16/61/678631661.db2.gz	PEXJZDQIDVLHFL-JGVFFNPUSA-N	-1	1	317.371	-1.509	20	0		DAADMM
C[C@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054596230	678632758	/nfs/dbraw/zinc/63/27/58/678632758.db2.gz	FKVFDUFKMHZBFP-YUMQZZPRSA-N	-1	1	322.329	-1.556	20	0		DAADMM
C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054635387	678633324	/nfs/dbraw/zinc/63/33/24/678633324.db2.gz	OYBQJJNHCZNPBX-JGVFFNPUSA-N	-1	1	306.330	-1.111	20	0		DAADMM
C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054649961	678633943	/nfs/dbraw/zinc/63/39/43/678633943.db2.gz	OPAQBYGMGWEWOK-YUMQZZPRSA-N	-1	1	307.318	-1.867	20	0		DAADMM
C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054770200	678634842	/nfs/dbraw/zinc/63/48/42/678634842.db2.gz	ZQZFPCSLJAWKEY-YUMQZZPRSA-N	-1	1	310.358	-1.042	20	0		DAADMM
C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054981870	678636667	/nfs/dbraw/zinc/63/66/67/678636667.db2.gz	PQJQKLAYNKDNAQ-RNFRBKRXSA-N	-1	1	307.318	-1.716	20	0		DAADMM
NC(=O)C(=O)N1CCC[C@](CO)(NC(=O)c2ncccc2[O-])C1	ZINC001055900803	678650919	/nfs/dbraw/zinc/65/09/19/678650919.db2.gz	UGJYTKIMQJMNJS-AWEZNQCLSA-N	-1	1	322.321	-1.644	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCN(CCO)C(C)=O	ZINC001056728591	678664300	/nfs/dbraw/zinc/66/43/00/678664300.db2.gz	FEAIICFOLXMUJF-UHFFFAOYSA-N	-1	1	314.298	-1.533	20	0		DAADMM
CC(=O)N(CCO)CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001056728817	678664497	/nfs/dbraw/zinc/66/44/97/678664497.db2.gz	NLKUIRZTAIPBFY-UHFFFAOYSA-N	-1	1	312.326	-2.116	20	0		DAADMM
O=C(c1cn[nH]c1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051461851	678756673	/nfs/dbraw/zinc/75/66/73/678756673.db2.gz	ZURLZHPSSDDESP-VIFPVBQESA-N	-1	1	307.314	-1.136	20	0		DAADMM
O=C(Cc1cc[nH]n1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051511374	678760798	/nfs/dbraw/zinc/76/07/98/678760798.db2.gz	ZKRVILXERHAKAR-SNVBAGLBSA-N	-1	1	321.341	-1.207	20	0		DAADMM
CC(C)(O)CC(=O)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051581473	678761396	/nfs/dbraw/zinc/76/13/96/678761396.db2.gz	GMYYEYUKTGGRBT-SECBINFHSA-N	-1	1	313.358	-1.012	20	0		DAADMM
CC(C)(O)CC(=O)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051581474	678761526	/nfs/dbraw/zinc/76/15/26/678761526.db2.gz	GMYYEYUKTGGRBT-VIFPVBQESA-N	-1	1	313.358	-1.012	20	0		DAADMM
O=C(c1cn[nH]n1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051697026	678766837	/nfs/dbraw/zinc/76/68/37/678766837.db2.gz	FRDIEUZCEMMSKB-SSDOTTSWSA-N	-1	1	308.302	-1.741	20	0		DAADMM
O=C([C@@H]1CCNC1=O)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051752121	678768842	/nfs/dbraw/zinc/76/88/42/678768842.db2.gz	DOOLWTDXFNXUDE-DTWKUNHWSA-N	-1	1	324.341	-2.037	20	0		DAADMM
NC(=O)C1(C(=O)N2CCO[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)CC1	ZINC001051799503	678774371	/nfs/dbraw/zinc/77/43/71/678774371.db2.gz	SKLSJAVMEJZFRM-QMMMGPOBSA-N	-1	1	324.341	-1.907	20	0		DAADMM
Cn1ncc(C(=O)N2CCO[C@H](CNCc3n[nH]c(=O)[n-]3)C2)n1	ZINC001051868207	678776920	/nfs/dbraw/zinc/77/69/20/678776920.db2.gz	CJFFKTWFHVEIOA-MRVPVSSYSA-N	-1	1	322.329	-1.730	20	0		DAADMM
O=C(c1cccnn1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051877288	678777346	/nfs/dbraw/zinc/77/73/46/678777346.db2.gz	AXNLJRDAEAZQKG-SECBINFHSA-N	-1	1	319.325	-1.069	20	0		DAADMM
O=C(c1ccncn1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051875507	678777429	/nfs/dbraw/zinc/77/74/29/678777429.db2.gz	UMYUGPQGAPIJQN-VIFPVBQESA-N	-1	1	319.325	-1.069	20	0		DAADMM
O=C([C@@H]1CCC(=O)N1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051907573	678778930	/nfs/dbraw/zinc/77/89/30/678778930.db2.gz	YPKMRICATKOFLJ-BDAKNGLRSA-N	-1	1	324.341	-1.894	20	0		DAADMM
O=C(Cn1cncn1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051924689	678779582	/nfs/dbraw/zinc/77/95/82/678779582.db2.gz	TUTTZUUAVQAQQT-SECBINFHSA-N	-1	1	322.329	-1.881	20	0		DAADMM
C[C@H](C(N)=O)N1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001052529036	678792461	/nfs/dbraw/zinc/79/24/61/678792461.db2.gz	POSBWCBYRYBEEK-HTQZYQBOSA-N	-1	1	324.341	-1.259	20	0		DAADMM
C[C@H](C(N)=O)N1CCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001052529042	678792590	/nfs/dbraw/zinc/79/25/90/678792590.db2.gz	POSBWCBYRYBEEK-SFYZADRCSA-N	-1	1	324.341	-1.259	20	0		DAADMM
O=C(NCCN(CCO)C(=O)c1cn[nH]n1)c1ncccc1[O-]	ZINC001058058216	678804903	/nfs/dbraw/zinc/80/49/03/678804903.db2.gz	XYWJJVWAPYOFIT-UHFFFAOYSA-N	-1	1	320.309	-1.230	20	0		DAADMM
NC(=O)C(=O)NCC1(NC(=O)c2ncccc2[O-])CCOCC1	ZINC001070086280	678853597	/nfs/dbraw/zinc/85/35/97/678853597.db2.gz	OPYBISMRAFFYSS-UHFFFAOYSA-N	-1	1	322.321	-1.332	20	0		DAADMM
CC(=O)N1C[C@@H](C)[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001071422177	678888578	/nfs/dbraw/zinc/88/85/78/678888578.db2.gz	MLJXDWJARLRFSI-MWLCHTKSSA-N	-1	1	308.338	-1.090	20	0		DAADMM
CNC(=O)CNC/C=C/CNC(=O)c1c[n-]n2c1nccc2=O	ZINC001274420261	782275713	/nfs/dbraw/zinc/27/57/13/782275713.db2.gz	AOJWRVYVJONXQD-NSCUHMNNSA-N	-1	1	318.337	-1.356	20	0		DAADMM
NC(=O)CNC/C=C\CNC(=O)c1c[n-]n2c1nccc2=O	ZINC001274421935	782276791	/nfs/dbraw/zinc/27/67/91/782276791.db2.gz	MSEFTWIWLWFYMR-UPHRSURJSA-N	-1	1	304.310	-1.617	20	0		DAADMM
C[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001274269882	782273055	/nfs/dbraw/zinc/27/30/55/782273055.db2.gz	LEOOOSRPONTZNQ-WPRPVWTQSA-N	-1	1	322.369	-1.027	20	0		DAADMM
NC(=O)c1nnc2n1CCN(C(=O)c1c[nH]c(=S)[n-]c1=O)C2	ZINC001275247297	782305564	/nfs/dbraw/zinc/30/55/64/782305564.db2.gz	MGVCTXJUDZGQOR-UHFFFAOYSA-N	-1	1	321.322	-1.183	20	0		DAADMM
CCNC(=O)CC(=O)NC[C@@H](C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001275808725	782319627	/nfs/dbraw/zinc/31/96/27/782319627.db2.gz	AKEMAMFUGIRIMN-SECBINFHSA-N	-1	1	312.374	-1.429	20	0		DAADMM
CCNC(=O)CC(=O)NC[C@H](C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001275808729	782319762	/nfs/dbraw/zinc/31/97/62/782319762.db2.gz	AKEMAMFUGIRIMN-VIFPVBQESA-N	-1	1	312.374	-1.429	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001114674223	782367497	/nfs/dbraw/zinc/36/74/97/782367497.db2.gz	JGEUVSFMCQTOQS-XBWDGYHZSA-N	-1	1	322.369	-1.834	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001114674220	782368137	/nfs/dbraw/zinc/36/81/37/782368137.db2.gz	JGEUVSFMCQTOQS-APOZVJGGSA-N	-1	1	322.369	-1.834	20	0		DAADMM
CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043573975	782401254	/nfs/dbraw/zinc/40/12/54/782401254.db2.gz	GSSXTEDZZWOICN-IAZYJMLFSA-N	-1	1	307.354	-1.357	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C2)nc1=O	ZINC001099744421	782476529	/nfs/dbraw/zinc/47/65/29/782476529.db2.gz	UOTIUOJEOZGXBV-HTQZYQBOSA-N	-1	1	312.330	-2.965	20	0		DAADMM
C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)Cn1cnnn1	ZINC001101716684	782602287	/nfs/dbraw/zinc/60/22/87/782602287.db2.gz	FNJWUQNPMGCDDD-RKDXNWHRSA-N	-1	1	321.345	-1.619	20	0		DAADMM
Cn1cc(/C=C\C(=O)NCc2nc([O-])n[nH]2)c(=O)n(C)c1=O	ZINC001116201340	782658851	/nfs/dbraw/zinc/65/88/51/782658851.db2.gz	PIXGZYUBCSFBGT-ARJAWSKDSA-N	-1	1	306.282	-1.763	20	0		DAADMM
C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C(=O)NCCF	ZINC001116931663	782669621	/nfs/dbraw/zinc/66/96/21/782669621.db2.gz	NESXHQBNXXDHET-QMMMGPOBSA-N	-1	1	300.290	-1.483	20	0		DAADMM
CCOC(=O)[C@H]1CNCCN1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001118197355	782706631	/nfs/dbraw/zinc/70/66/31/782706631.db2.gz	QNBVUFJCMQYJGM-SNVBAGLBSA-N	-1	1	324.337	-1.710	20	0		DAADMM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCCc1nc[nH]n1	ZINC001118271273	782710439	/nfs/dbraw/zinc/71/04/39/782710439.db2.gz	KMJXWEJRJAZQGI-UHFFFAOYSA-N	-1	1	302.298	-1.062	20	0		DAADMM
COCCOCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001266310974	775127732	/nfs/dbraw/zinc/12/77/32/775127732.db2.gz	OVZGNKVWDJUMPJ-SNVBAGLBSA-N	-1	1	313.358	-1.538	20	0		DAADMM
COCCOCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001266310973	775128507	/nfs/dbraw/zinc/12/85/07/775128507.db2.gz	OVZGNKVWDJUMPJ-JTQLQIEISA-N	-1	1	313.358	-1.538	20	0		DAADMM
CN(CCNC(=O)C1CC(=O)NC(=O)C1)Cc1nc(=O)n(C)[n-]1	ZINC001266337799	775131730	/nfs/dbraw/zinc/13/17/30/775131730.db2.gz	QMPRBNWIIPQCBA-UHFFFAOYSA-N	-1	1	324.341	-2.291	20	0		DAADMM
C[C@H](C(=O)N(C)CCNCc1n[nH]c(=O)[n-]1)N1C(=O)CCC1=O	ZINC001266718150	775174342	/nfs/dbraw/zinc/17/43/42/775174342.db2.gz	DEKNPYBRESXRTP-MRVPVSSYSA-N	-1	1	324.341	-1.404	20	0		DAADMM
Cc1n[nH]c(C(=O)NCCNCC(=O)N2CCNC(=O)C2)c1[O-]	ZINC001125734466	775233187	/nfs/dbraw/zinc/23/31/87/775233187.db2.gz	QPFXWOBAEKLQDF-UHFFFAOYSA-N	-1	1	324.341	-2.298	20	0		DAADMM
CC(C)N(CCCNC(=O)Cn1ncnn1)Cc1n[nH]c(=O)[n-]1	ZINC001267501372	775246624	/nfs/dbraw/zinc/24/66/24/775246624.db2.gz	QPFWQNIQOHQFTI-UHFFFAOYSA-N	-1	1	323.361	-1.086	20	0		DAADMM
CC(C)C[C@H](C(N)=O)C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001267672754	775265155	/nfs/dbraw/zinc/26/51/55/775265155.db2.gz	KTVDPWVCFWXPPR-SNVBAGLBSA-N	-1	1	324.385	-1.444	20	0		DAADMM
CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1ccc(=O)n(C)n1	ZINC001268496406	775390540	/nfs/dbraw/zinc/39/05/40/775390540.db2.gz	FAAMWIRWWMFXRP-UHFFFAOYSA-N	-1	1	321.341	-1.144	20	0		DAADMM
C[C@]1(C(=O)N(CCO)CCNCc2n[nH]c(=O)[n-]2)CCOC1	ZINC001279869704	775411200	/nfs/dbraw/zinc/41/12/00/775411200.db2.gz	SWWUEAWIYTYQGN-ZDUSSCGKSA-N	-1	1	313.358	-1.153	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)C1(C(N)=O)CC1	ZINC001268743370	775419432	/nfs/dbraw/zinc/41/94/32/775419432.db2.gz	QUDIVDRDEWYNIQ-QMMMGPOBSA-N	-1	1	310.358	-1.690	20	0		DAADMM
O=C(N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1)[C@@H]1CCNC1=O	ZINC001269099222	775442277	/nfs/dbraw/zinc/44/22/77/775442277.db2.gz	JMXNIASXUIVIEP-RKDXNWHRSA-N	-1	1	308.342	-1.369	20	0		DAADMM
C[C@@H](C(N)=O)N1CC[C@@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001269321174	775460565	/nfs/dbraw/zinc/46/05/65/775460565.db2.gz	PYXAHQPXUPUKFD-VHSXEESVSA-N	-1	1	323.353	-2.009	20	0		DAADMM
COCCCN1C(=O)COCC12CN(C(=O)Cc1nn[n-]n1)C2	ZINC001269577645	775471366	/nfs/dbraw/zinc/47/13/66/775471366.db2.gz	MJNLHXIAVHMVMY-UHFFFAOYSA-N	-1	1	324.341	-1.782	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CCC2(CCN(C3COC3)C2=O)CC1	ZINC001269578212	775471646	/nfs/dbraw/zinc/47/16/46/775471646.db2.gz	WNCGVJRLRVICFP-UHFFFAOYSA-N	-1	1	320.353	-1.018	20	0		DAADMM
CC(=O)[C@@H](C)N1C(=O)COCC12CN(C(=O)Cc1nn[n-]n1)C2	ZINC001269576709	775473165	/nfs/dbraw/zinc/47/31/65/775473165.db2.gz	TXGWXVSBNUSSLR-MRVPVSSYSA-N	-1	1	322.325	-1.841	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC[C@@]2(CCN(C3COC3)C2=O)C1	ZINC001269577141	775473241	/nfs/dbraw/zinc/47/32/41/775473241.db2.gz	FMDIUPYDUXWLCB-CYBMUJFWSA-N	-1	1	306.326	-1.408	20	0		DAADMM
Cc1ncc(CO)c(C(=O)N2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)c1[O-]	ZINC001269980667	775480138	/nfs/dbraw/zinc/48/01/38/775480138.db2.gz	VBTHRFISASIFDW-DTWKUNHWSA-N	-1	1	320.305	-1.100	20	0		DAADMM
Cn1ncnc1C(=O)N1C[C@H]2C[C@@H](C1)N2C(=O)Cc1nn[n-]n1	ZINC001270183246	775486194	/nfs/dbraw/zinc/48/61/94/775486194.db2.gz	UWOOMBIXUIIGNC-OCAPTIKFSA-N	-1	1	317.313	-2.004	20	0		DAADMM
CN1CCN(C(=O)Cc2nnn[n-]2)C[C@]2(CCCC(=O)N2)C1	ZINC001270183519	775486535	/nfs/dbraw/zinc/48/65/35/775486535.db2.gz	YFVOFWQGGQBUPG-ZDUSSCGKSA-N	-1	1	307.358	-1.445	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1C[C@@H]2OCCN(Cc3cn[nH]c3)[C@H]2C1	ZINC001270182499	775486806	/nfs/dbraw/zinc/48/68/06/775486806.db2.gz	GXEWKLNTWASYDR-QWRGUYRKSA-N	-1	1	318.341	-1.423	20	0		DAADMM
CC(C)NC(=O)N1C[C@H]2CN(C(=O)Cc3nn[n-]n3)C[C@@H](C1)O2	ZINC001270183544	775486955	/nfs/dbraw/zinc/48/69/55/775486955.db2.gz	YULBUBVXKCSLKR-AOOOYVTPSA-N	-1	1	323.357	-1.228	20	0		DAADMM
Cn1ncnc1C(=O)N1CCC12CN(C(=O)Cc1nn[n-]n1)C2	ZINC001270183415	775487037	/nfs/dbraw/zinc/48/70/37/775487037.db2.gz	VMHORYYJTHTDMH-UHFFFAOYSA-N	-1	1	317.313	-2.002	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC[C@H]2C[C@]21C(=O)Nc1nnco1	ZINC001270784199	775506937	/nfs/dbraw/zinc/50/69/37/775506937.db2.gz	FDBALHWUEMFIMW-UPONEAKYSA-N	-1	1	304.270	-1.245	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC[C@@H]2C[C@@]21C(=O)Nc1nnco1	ZINC001270784196	775507369	/nfs/dbraw/zinc/50/73/69/775507369.db2.gz	FDBALHWUEMFIMW-KBUNVGBDSA-N	-1	1	304.270	-1.245	20	0		DAADMM
O=C(Cc1nn[n-]n1)NC12CC(C(=O)Nc3nnco3)(C1)C2	ZINC001270785801	775508743	/nfs/dbraw/zinc/50/87/43/775508743.db2.gz	VPCNNGZMWCQSTI-UHFFFAOYSA-N	-1	1	304.270	-1.197	20	0		DAADMM
CN(C)C(=O)[C@@H]1COCCC12CN(C(=O)Cc1nn[n-]n1)C2	ZINC001270789478	775509612	/nfs/dbraw/zinc/50/96/12/775509612.db2.gz	RCCSBAMWOUXDPN-VIFPVBQESA-N	-1	1	308.342	-1.305	20	0		DAADMM
Cn1cnc([C@@H]2CN(C(=O)Cc3nn[n-]n3)C[C@H]2C(N)=O)c1	ZINC001270788645	775509732	/nfs/dbraw/zinc/50/97/32/775509732.db2.gz	IJNOOTGUOOEWGZ-HTQZYQBOSA-N	-1	1	304.314	-1.797	20	0		DAADMM
COCCN(C)C(=O)[C@@H]1CC12CN(C(=O)Cc1nn[n-]n1)C2	ZINC001270789209	775509972	/nfs/dbraw/zinc/50/99/72/775509972.db2.gz	PAPCFXWUMDEUAP-VIFPVBQESA-N	-1	1	308.342	-1.305	20	0		DAADMM
CC(C)[C@@H](O)C(=O)N(CCO)CCNCc1n[nH]c(=O)[n-]1	ZINC001272154435	775641201	/nfs/dbraw/zinc/64/12/01/775641201.db2.gz	GDDCXMLBAIJFHP-SNVBAGLBSA-N	-1	1	301.347	-1.562	20	0		DAADMM
Cn1cnnc1C[NH2+]CCN(CCO)C(=O)c1cnc[nH]c1=O	ZINC001272190617	775646442	/nfs/dbraw/zinc/64/64/42/775646442.db2.gz	XLMSXEHARNDWAL-UHFFFAOYSA-N	-1	1	321.341	-1.465	20	0		DAADMM
C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001088793787	775658610	/nfs/dbraw/zinc/65/86/10/775658610.db2.gz	RSILZDXPEUDJFY-UTLUCORTSA-N	-1	1	322.369	-1.677	20	0		DAADMM
C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001088800909	775658869	/nfs/dbraw/zinc/65/88/69/775658869.db2.gz	YSCZAYRNYUMBSL-SFYZADRCSA-N	-1	1	321.345	-1.975	20	0		DAADMM
C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001088828842	775663642	/nfs/dbraw/zinc/66/36/42/775663642.db2.gz	WMSIOQMGJZEXPO-HRDYMLBCSA-N	-1	1	323.357	-2.131	20	0		DAADMM
C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001088863819	775725727	/nfs/dbraw/zinc/72/57/27/775725727.db2.gz	ZNJMMFIMGIBMEC-IMSYWVGJSA-N	-1	1	322.369	-1.691	20	0		DAADMM
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001088991005	775737203	/nfs/dbraw/zinc/73/72/03/775737203.db2.gz	BSZHALKBYDBRCX-UTLUCORTSA-N	-1	1	322.369	-1.534	20	0		DAADMM
C[C@H]1OCC[C@@H]1C(=O)N(CCO)CCNCc1n[nH]c(=O)[n-]1	ZINC001272284018	775740406	/nfs/dbraw/zinc/74/04/06/775740406.db2.gz	FJOLMKWYARWXIA-ZJUUUORDSA-N	-1	1	313.358	-1.154	20	0		DAADMM
CC1(C)CC(=O)N(CC(=O)NCCNCc2n[nH]c(=O)[n-]2)C1=O	ZINC001127374302	775792127	/nfs/dbraw/zinc/79/21/27/775792127.db2.gz	NRRJQZLCXCZOSE-UHFFFAOYSA-N	-1	1	324.341	-1.499	20	0		DAADMM
COCC(=O)N[C@H](C)C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001127992705	775898413	/nfs/dbraw/zinc/89/84/13/775898413.db2.gz	GZIULMZPXSQXPE-SSDOTTSWSA-N	-1	1	300.319	-2.133	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)C(F)F)[C@H](O)C2)nc1=O	ZINC001089983015	775939032	/nfs/dbraw/zinc/93/90/32/775939032.db2.gz	FUCIWZKEYBEZMA-RNFRBKRXSA-N	-1	1	305.285	-1.575	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)C(F)F)[C@@H](O)C2)nc1=O	ZINC001089983013	775939398	/nfs/dbraw/zinc/93/93/98/775939398.db2.gz	FUCIWZKEYBEZMA-BQBZGAKWSA-N	-1	1	305.285	-1.575	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)Cc3c[nH]cn3)[C@@H](O)C2)nc1=O	ZINC001083815280	775940543	/nfs/dbraw/zinc/94/05/43/775940543.db2.gz	PEKJITXCGAJOLA-ZJUUUORDSA-N	-1	1	321.341	-2.265	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)CC3CC3)[C@@H](O)C2)nc1=O	ZINC001090010791	775949191	/nfs/dbraw/zinc/94/91/91/775949191.db2.gz	QRFMMZFXCPVCGW-MNOVXSKESA-N	-1	1	309.370	-1.040	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)C3CCC3)[C@H](O)C2)nc1=O	ZINC001090002301	775950544	/nfs/dbraw/zinc/95/05/44/775950544.db2.gz	ONNCBPDCFFLEMM-GHMZBOCLSA-N	-1	1	309.370	-1.040	20	0		DAADMM
CSCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001099651042	775958113	/nfs/dbraw/zinc/95/81/13/775958113.db2.gz	OMMWAMIGTQIVOQ-BDAKNGLRSA-N	-1	1	315.399	-1.477	20	0		DAADMM
CSCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001099651044	775959671	/nfs/dbraw/zinc/95/96/71/775959671.db2.gz	OMMWAMIGTQIVOQ-IUCAKERBSA-N	-1	1	315.399	-1.477	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3ccc[nH]3)[C@H](O)C2)nc1=O	ZINC001090067395	775965040	/nfs/dbraw/zinc/96/50/40/775965040.db2.gz	DQGZRUJHAMJPSG-MWLCHTKSSA-N	-1	1	320.353	-1.198	20	0		DAADMM
O=C(N[C@@H]1CN(CCO)C[C@@H]1O)c1c[n-]n2c1nccc2=O	ZINC001083841534	775979723	/nfs/dbraw/zinc/97/97/23/775979723.db2.gz	AZXPSWVACJHFAC-ZJUUUORDSA-N	-1	1	307.310	-2.210	20	0		DAADMM
CS(=O)(=O)NCCC(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001128604248	775996242	/nfs/dbraw/zinc/99/62/42/775996242.db2.gz	TWGBXUJBTKFSKQ-UHFFFAOYSA-N	-1	1	306.348	-2.345	20	0		DAADMM
Cn1[nH]c(CN2C[C@@H](NC(=O)c3ncn[nH]3)[C@@H](O)C2)nc1=O	ZINC001083873259	776060757	/nfs/dbraw/zinc/06/07/57/776060757.db2.gz	UGONXZSLCSCJMS-RQJHMYQMSA-N	-1	1	308.302	-2.798	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@](C)(CNC(=O)C(N)=O)C2)nc1=O	ZINC001108176803	776073356	/nfs/dbraw/zinc/07/33/56/776073356.db2.gz	GASRDUYBQFVQGL-GFCCVEGCSA-N	-1	1	312.330	-2.699	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)C3(C)CC3)[C@H](O)C2)nc1=O	ZINC001090287537	776080643	/nfs/dbraw/zinc/08/06/43/776080643.db2.gz	WLNZHLAXZWAZEP-VHSXEESVSA-N	-1	1	309.370	-1.040	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(CCF)C[C@@H]1O	ZINC001083949916	776141882	/nfs/dbraw/zinc/14/18/82/776141882.db2.gz	RZMLRZSPMWBJKH-RQJHMYQMSA-N	-1	1	316.289	-1.359	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)[C@@H](O)C2)nc1=O	ZINC001083969842	776148598	/nfs/dbraw/zinc/14/85/98/776148598.db2.gz	XIJVVNSQYODWTN-YIZRAAEISA-N	-1	1	324.341	-2.952	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)Cn3cncn3)[C@@H](O)C2)nc1=O	ZINC001084032376	776150259	/nfs/dbraw/zinc/15/02/59/776150259.db2.gz	IUMCWYDMFAGLNT-BDAKNGLRSA-N	-1	1	322.329	-2.939	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)Cc3ccc[nH]3)[C@@H](O)C2)nc1=O	ZINC001084074705	776154620	/nfs/dbraw/zinc/15/46/20/776154620.db2.gz	KUTNJBMZWBEFAW-MNOVXSKESA-N	-1	1	320.353	-1.660	20	0		DAADMM
O=C(Cn1cnnn1)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001085128189	776201405	/nfs/dbraw/zinc/20/14/05/776201405.db2.gz	FZQGMLTYYMDASK-RKDXNWHRSA-N	-1	1	321.345	-1.286	20	0		DAADMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1cnnn1C	ZINC001085577380	776216188	/nfs/dbraw/zinc/21/61/88/776216188.db2.gz	LIGVFQORQMWAPT-SECBINFHSA-N	-1	1	320.357	-1.417	20	0		DAADMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1cnnn1C	ZINC001085577381	776216802	/nfs/dbraw/zinc/21/68/02/776216802.db2.gz	LIGVFQORQMWAPT-VIFPVBQESA-N	-1	1	320.357	-1.417	20	0		DAADMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1cn[nH]n1	ZINC001085692947	776218924	/nfs/dbraw/zinc/21/89/24/776218924.db2.gz	UJTTWZAPMMATHG-MRVPVSSYSA-N	-1	1	306.330	-1.427	20	0		DAADMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@H]1CCNC1=O	ZINC001085762755	776222870	/nfs/dbraw/zinc/22/28/70/776222870.db2.gz	OPCFBHKJPURLJH-ZJUUUORDSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1nc[nH]n1	ZINC001085881131	776228799	/nfs/dbraw/zinc/22/87/99/776228799.db2.gz	WZVDJUJGOFZBRA-QMMMGPOBSA-N	-1	1	306.330	-1.427	20	0		DAADMM
O=C(Cn1cc(C2CC2)nn1)NCCNCc1n[nH]c(=O)[n-]1	ZINC001129347070	776305534	/nfs/dbraw/zinc/30/55/34/776305534.db2.gz	KXMWRVRWKVMWNM-UHFFFAOYSA-N	-1	1	306.330	-1.115	20	0		DAADMM
CCC(=O)N[C@@H](C)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001112875145	776381126	/nfs/dbraw/zinc/38/11/26/776381126.db2.gz	QWNQETXZZQQSBD-JTQLQIEISA-N	-1	1	324.385	-1.333	20	0		DAADMM
CNC(=O)NCC(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001112924962	776384851	/nfs/dbraw/zinc/38/48/51/776384851.db2.gz	REODLJYABCFQTH-UHFFFAOYSA-N	-1	1	311.346	-2.318	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001113196432	776398595	/nfs/dbraw/zinc/39/85/95/776398595.db2.gz	RLKLRPYLXBCUOA-SECBINFHSA-N	-1	1	310.358	-1.736	20	0		DAADMM
CNC(=O)C1(C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)CC1	ZINC001113430063	776406810	/nfs/dbraw/zinc/40/68/10/776406810.db2.gz	JDQKOOZGMHRMHC-UHFFFAOYSA-N	-1	1	322.369	-1.721	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3cnco3)[C@H](O)C2)nc1=O	ZINC001090466357	776425836	/nfs/dbraw/zinc/42/58/36/776425836.db2.gz	KAEJIWVGDBGFSL-DTWKUNHWSA-N	-1	1	322.325	-1.538	20	0		DAADMM
COC[C@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001114038845	776443436	/nfs/dbraw/zinc/44/34/36/776443436.db2.gz	XHKBKVMLKBWVGI-UXCLJVHYSA-N	-1	1	309.370	-1.063	20	0		DAADMM
CCNC(=O)CC(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001114170707	776455718	/nfs/dbraw/zinc/45/57/18/776455718.db2.gz	VOWRVUQXAYIOGX-WOFXILAISA-N	-1	1	322.369	-1.819	20	0		DAADMM
C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001114175746	776456687	/nfs/dbraw/zinc/45/66/87/776456687.db2.gz	JRJANTXCPYOJPY-QHOPCYEYSA-N	-1	1	323.357	-2.288	20	0		DAADMM
CC(C)[C@@H](O)C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001114227087	776464583	/nfs/dbraw/zinc/46/45/83/776464583.db2.gz	ZJMJOIPMFLTBDA-LLHIFLOGSA-N	-1	1	309.370	-1.328	20	0		DAADMM
CN1CCN(CC(=O)NCCNCc2n[nH]c(=O)[n-]2)CC1=O	ZINC001130553928	776516881	/nfs/dbraw/zinc/51/68/81/776516881.db2.gz	SCXIBGPIDATXIY-UHFFFAOYSA-N	-1	1	311.346	-2.510	20	0		DAADMM
Cc1cc(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)ncn1	ZINC001130862626	776537850	/nfs/dbraw/zinc/53/78/50/776537850.db2.gz	BQLWSGAWEZYRNG-UHFFFAOYSA-N	-1	1	305.298	-1.099	20	0		DAADMM
COc1nccc(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1	ZINC001130862672	776539368	/nfs/dbraw/zinc/53/93/68/776539368.db2.gz	DLPYFVJTPKNEOS-UHFFFAOYSA-N	-1	1	321.297	-1.399	20	0		DAADMM
Cc1cnc(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)cn1	ZINC001130864485	776540454	/nfs/dbraw/zinc/54/04/54/776540454.db2.gz	ABCUGORPWDNPQM-UHFFFAOYSA-N	-1	1	305.298	-1.099	20	0		DAADMM
COc1ccc(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)nn1	ZINC001130863752	776541624	/nfs/dbraw/zinc/54/16/24/776541624.db2.gz	UENVRSXEUXFJML-UHFFFAOYSA-N	-1	1	321.297	-1.399	20	0		DAADMM
Cn1cc(C(N)=O)cc1C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001130892307	776543353	/nfs/dbraw/zinc/54/33/53/776543353.db2.gz	WOMJPKGQTVWILO-UHFFFAOYSA-N	-1	1	307.314	-1.533	20	0		DAADMM
COc1c[nH]c(C(=O)NCCNCc2n[nH]c(=O)[n-]2)cc1=O	ZINC001131360855	776566801	/nfs/dbraw/zinc/56/68/01/776566801.db2.gz	RNYDGRYXIAFDMB-UHFFFAOYSA-N	-1	1	308.298	-1.273	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)[C@@H]1Cc2cncn2C(=O)N1	ZINC001131672171	776580445	/nfs/dbraw/zinc/58/04/45/776580445.db2.gz	LWPIOQYIXYDYAI-QMMMGPOBSA-N	-1	1	320.313	-1.905	20	0		DAADMM
CNC(=O)CC(=O)N[C@@H]1CC[C@H](C)N(Cc2nc(=O)n(C)[n-]2)C1	ZINC001131975915	776601033	/nfs/dbraw/zinc/60/10/33/776601033.db2.gz	GCGBSUZXROJMEG-VHSXEESVSA-N	-1	1	324.385	-1.286	20	0		DAADMM
C[C@H]1CC[C@H](NC(=O)CC(N)=O)CN1Cc1nc(=O)n(C)[n-]1	ZINC001131933941	776601269	/nfs/dbraw/zinc/60/12/69/776601269.db2.gz	BSYHEJWWBXXMJL-IUCAKERBSA-N	-1	1	310.358	-1.547	20	0		DAADMM
CNC(=O)CC(=O)N[C@H]1CC[C@@H](C)N(Cc2nc(=O)n(C)[n-]2)C1	ZINC001131975916	776602194	/nfs/dbraw/zinc/60/21/94/776602194.db2.gz	GCGBSUZXROJMEG-ZJUUUORDSA-N	-1	1	324.385	-1.286	20	0		DAADMM
C[C@H]1CC[C@@H](NC(=O)CC(N)=O)CN1Cc1nc(=O)n(C)[n-]1	ZINC001131933940	776602791	/nfs/dbraw/zinc/60/27/91/776602791.db2.gz	BSYHEJWWBXXMJL-DTWKUNHWSA-N	-1	1	310.358	-1.547	20	0		DAADMM
NS(=O)(=O)CCCC(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001133152299	776657784	/nfs/dbraw/zinc/65/77/84/776657784.db2.gz	VUHSHIUIIDQXHK-UHFFFAOYSA-N	-1	1	306.348	-2.215	20	0		DAADMM
C[C@@H](NS(C)(=O)=O)C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001134353896	776699974	/nfs/dbraw/zinc/69/99/74/776699974.db2.gz	YAUSRESJCSYGMM-ZCFIWIBFSA-N	-1	1	306.348	-2.346	20	0		DAADMM
C[C@H](NS(C)(=O)=O)C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001134353894	776699982	/nfs/dbraw/zinc/69/99/82/776699982.db2.gz	YAUSRESJCSYGMM-LURJTMIESA-N	-1	1	306.348	-2.346	20	0		DAADMM
CN(C)S(=O)(=O)NCC(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001134487359	776706329	/nfs/dbraw/zinc/70/63/29/776706329.db2.gz	MKMUYXWHLPGKPZ-UHFFFAOYSA-N	-1	1	321.363	-2.888	20	0		DAADMM
CCNC(=O)NC(C)(C)C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001134700681	776719470	/nfs/dbraw/zinc/71/94/70/776719470.db2.gz	KPKPQBDRDLPZEL-UHFFFAOYSA-N	-1	1	313.362	-1.186	20	0		DAADMM
CN1CC[C@@H](C(=O)NCCNCc2n[nH]c(=O)[n-]2)S1(=O)=O	ZINC001135129238	776737562	/nfs/dbraw/zinc/73/75/62/776737562.db2.gz	COAOUGPPHXMPKS-ZETCQYMHSA-N	-1	1	318.359	-2.250	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCNCc1ncccn1	ZINC001135387061	776755028	/nfs/dbraw/zinc/75/50/28/776755028.db2.gz	KEIYSGNRZORSAC-UHFFFAOYSA-N	-1	1	318.337	-1.377	20	0		DAADMM
O=C(Cc1nnc[nH]1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O	ZINC001090705581	776828172	/nfs/dbraw/zinc/82/81/72/776828172.db2.gz	FJZFPSDLXCFIMH-JGVFFNPUSA-N	-1	1	322.329	-2.078	20	0		DAADMM
COCC[N@H+]1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](O)C1	ZINC001090754398	776837156	/nfs/dbraw/zinc/83/71/56/776837156.db2.gz	BTCDIODTSDUVPJ-BDAKNGLRSA-N	-1	1	315.330	-2.113	20	0		DAADMM
O=C(CN1CCCC1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O	ZINC001090819140	776856287	/nfs/dbraw/zinc/85/62/87/776856287.db2.gz	ZQFVLNFEGFWMPG-WDEREUQCSA-N	-1	1	324.385	-1.343	20	0		DAADMM
O=C(CN1CCCC1)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001090819139	776856963	/nfs/dbraw/zinc/85/69/63/776856963.db2.gz	ZQFVLNFEGFWMPG-QWRGUYRKSA-N	-1	1	324.385	-1.343	20	0		DAADMM
O=C(CCCc1nn[n-]n1)N1CCC2(CC1)NC(=O)NC2=O	ZINC001290540300	777920483	/nfs/dbraw/zinc/92/04/83/777920483.db2.gz	PGQRAPZINJFKPL-UHFFFAOYSA-N	-1	1	307.314	-1.277	20	0		DAADMM
O=C(NCCNC(=O)c1cc(=O)n2[n-]cnc2n1)c1cc[nH]c1	ZINC001292843099	777949366	/nfs/dbraw/zinc/94/93/66/777949366.db2.gz	CQYVFZKXLAGZGM-UHFFFAOYSA-N	-1	1	315.293	-1.095	20	0		DAADMM
Cn1cc([C@H](O)CNC(=O)CCn2cc[n-]c(=O)c2=O)cn1	ZINC001294723298	777987557	/nfs/dbraw/zinc/98/75/57/777987557.db2.gz	WSCXEMDLQKSVNM-SNVBAGLBSA-N	-1	1	307.310	-1.490	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCO[C@@H](c2ncon2)C1	ZINC001296313517	778023908	/nfs/dbraw/zinc/02/39/08/778023908.db2.gz	RIIJGBQFNJGQIN-SECBINFHSA-N	-1	1	321.293	-1.090	20	0		DAADMM
O=C(/C=C\Cn1cncn1)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001296956464	778032125	/nfs/dbraw/zinc/03/21/25/778032125.db2.gz	XTCHXISKDMTSHB-UPHRSURJSA-N	-1	1	304.314	-1.142	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCN1CCNC1=S	ZINC001306135747	778100617	/nfs/dbraw/zinc/10/06/17/778100617.db2.gz	CELZNXPDUYPWIL-UHFFFAOYSA-N	-1	1	313.339	-1.184	20	0		DAADMM
CCS(=O)(CC)=NS(=O)(=O)[N-]CCNS(C)(=O)=O	ZINC001309161657	778103325	/nfs/dbraw/zinc/10/33/25/778103325.db2.gz	HVLFLWDTTIAOTJ-UHFFFAOYSA-N	-1	1	321.446	-1.122	20	0		DAADMM
O=C([O-])[C@]1(C(=O)N2CC[C@](O)(C(F)(F)F)C2)CNCCO1	ZINC001121966367	779553738	/nfs/dbraw/zinc/55/37/38/779553738.db2.gz	QDSIROYMYMYUOP-NXEZZACHSA-N	-1	1	312.244	-1.045	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C	ZINC001123566886	779584271	/nfs/dbraw/zinc/58/42/71/779584271.db2.gz	HIDZYAGTJDBKQS-QWRGUYRKSA-N	-1	1	301.391	-1.012	20	0		DAADMM
O=C(CN1C(=O)CNC1=O)N1CCSC[C@H]1c1nn[n-]n1	ZINC001138437421	779612427	/nfs/dbraw/zinc/61/24/27/779612427.db2.gz	HUXADFBIZAKXCJ-LURJTMIESA-N	-1	1	311.327	-1.632	20	0		DAADMM
O=C(C[C@@H]1CC(=O)NC1=O)N1CCSC[C@@H]1c1nn[n-]n1	ZINC001138437048	779612486	/nfs/dbraw/zinc/61/24/86/779612486.db2.gz	DURGQMKMOJCZHV-NKWVEPMBSA-N	-1	1	310.339	-1.131	20	0		DAADMM
O=C(Cn1cccnc1=O)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21	ZINC001141958035	779618508	/nfs/dbraw/zinc/61/85/08/779618508.db2.gz	QFXYNZTXGYUFLA-UHFFFAOYSA-N	-1	1	303.238	-1.089	20	0		DAADMM
Cn1c2ncn(CC(=O)NCc3nn[n-]n3)c2c(=O)n(C)c1=O	ZINC001142391894	779623380	/nfs/dbraw/zinc/62/33/80/779623380.db2.gz	ZOZFCVXFHMAMOF-UHFFFAOYSA-N	-1	1	319.285	-2.737	20	0		DAADMM
Cc1csc(=O)n1CC(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001150789029	779666696	/nfs/dbraw/zinc/66/66/96/779666696.db2.gz	NIGDYGZATIQSRD-UHFFFAOYSA-N	-1	1	312.355	-1.052	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)[C@@H]1CCS(=O)(=O)N1	ZINC001151300721	779675390	/nfs/dbraw/zinc/67/53/90/779675390.db2.gz	ORBIJUMFXYBSDS-LURJTMIESA-N	-1	1	304.332	-2.592	20	0		DAADMM
CC(=O)N1CCOC[C@H]1C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001151586674	779680860	/nfs/dbraw/zinc/68/08/60/779680860.db2.gz	JWZFVRKKAFPXCQ-VIFPVBQESA-N	-1	1	312.330	-2.037	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	ZINC001151913787	779685382	/nfs/dbraw/zinc/68/53/82/779685382.db2.gz	DHYCQNGNMRQEEH-OLQVQODUSA-N	-1	1	322.277	-1.417	20	0		DAADMM
NC(=O)c1ncccc1C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001151966700	779685553	/nfs/dbraw/zinc/68/55/53/779685553.db2.gz	CBYUBNOUWOHZER-UHFFFAOYSA-N	-1	1	305.298	-1.476	20	0		DAADMM
NC(=O)c1cccc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)n1	ZINC001152847985	779698699	/nfs/dbraw/zinc/69/86/99/779698699.db2.gz	DTDRHZQGWRFVGZ-UHFFFAOYSA-N	-1	1	305.298	-1.476	20	0		DAADMM
NC(=O)c1ccc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)nc1	ZINC001153372704	779703497	/nfs/dbraw/zinc/70/34/97/779703497.db2.gz	OLPHKVYRPCRSKW-UHFFFAOYSA-N	-1	1	305.298	-1.476	20	0		DAADMM
O=C(CC[C@H]1NC(=O)NC1=O)N1CCC[C@H](Cc2nn[n-]n2)C1	ZINC001155127095	779729895	/nfs/dbraw/zinc/72/98/95/779729895.db2.gz	GWWGSCJKBKGJOJ-RKDXNWHRSA-N	-1	1	321.341	-1.031	20	0		DAADMM
CN1CC(=O)Nc2cnc(Nc3c(O)[nH]c(=O)[n-]c3=S)nc21	ZINC001160854600	779822142	/nfs/dbraw/zinc/82/21/42/779822142.db2.gz	XGZQHUXLKYEIKX-LURJTMIESA-N	-1	1	321.322	-1.188	20	0		DAADMM
Cn1[n-]c(CN2CC=C(CCNC(=O)C(N)=O)CC2)nc1=O	ZINC001161096850	779828467	/nfs/dbraw/zinc/82/84/67/779828467.db2.gz	WCVQGDGQVLCELH-UHFFFAOYSA-N	-1	1	308.342	-1.768	20	0		DAADMM
C[C@@H](NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1nncn1C	ZINC001161863968	779847145	/nfs/dbraw/zinc/84/71/45/779847145.db2.gz	TTZRPOBWDXQGIB-SSDOTTSWSA-N	-1	1	322.329	-1.118	20	0		DAADMM
Cn1ncnc1CCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001163361718	779867706	/nfs/dbraw/zinc/86/77/06/779867706.db2.gz	PVEXKPQEGJQWCS-UHFFFAOYSA-N	-1	1	306.326	-1.196	20	0		DAADMM
Cc1cc2c(c(N3CCN(CC(N)=O)CC3)n1)C(=O)[N-]C2=O	ZINC001165155684	779880443	/nfs/dbraw/zinc/88/04/43/779880443.db2.gz	PQKUDGBMEHNSDB-UHFFFAOYSA-N	-1	1	303.322	-1.119	20	0		DAADMM
O=C(NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1)[C@@H]1CNC(=O)N1	ZINC001166903830	779894953	/nfs/dbraw/zinc/89/49/53/779894953.db2.gz	XZPLKMORRZWQBS-QMMMGPOBSA-N	-1	1	323.357	-1.432	20	0		DAADMM
CC(=O)NCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C	ZINC001205745614	779903502	/nfs/dbraw/zinc/90/35/02/779903502.db2.gz	LQNUENMNXLZJRM-PSASIEDQSA-N	-1	1	310.358	-1.819	20	0		DAADMM
CC(=O)N(C)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C	ZINC001206103008	779907282	/nfs/dbraw/zinc/90/72/82/779907282.db2.gz	XGSFLNPMZDBNRQ-MWLCHTKSSA-N	-1	1	324.385	-1.477	20	0		DAADMM
CNC(=O)NCC(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001208285312	779936024	/nfs/dbraw/zinc/93/60/24/779936024.db2.gz	HLSKZNPGMCINFP-QMMMGPOBSA-N	-1	1	311.346	-1.480	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C	ZINC001208301360	779937177	/nfs/dbraw/zinc/93/71/77/779937177.db2.gz	AOVROIJISWFELV-OPRDCNLKSA-N	-1	1	324.385	-1.444	20	0		DAADMM
C[C@H](NC(=O)[C@@H](N)CO)C(=O)Nc1cc(=O)[n-]c(Cl)n1	ZINC001218646823	780037184	/nfs/dbraw/zinc/03/71/84/780037184.db2.gz	SMBAAUSLALMPDS-WHFBIAKZSA-N	-1	1	303.706	-1.402	20	0		DAADMM
CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CNC(=O)N2)c1	ZINC001218901309	780043881	/nfs/dbraw/zinc/04/38/81/780043881.db2.gz	DBTAWGNBBPMKGV-QMMMGPOBSA-N	-1	1	314.323	-1.080	20	0		DAADMM
CSCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001219155197	780057732	/nfs/dbraw/zinc/05/77/32/780057732.db2.gz	ACUBQMXPNDOORU-SFYZADRCSA-N	-1	1	301.372	-1.867	20	0		DAADMM
CCCOCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001219318605	780079793	/nfs/dbraw/zinc/07/97/93/780079793.db2.gz	XELKJUFPKCXXAE-ZJUUUORDSA-N	-1	1	313.358	-1.804	20	0		DAADMM
CO[C@@H](C)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001219336521	780082145	/nfs/dbraw/zinc/08/21/45/780082145.db2.gz	AJTAEMSRZQKIEN-AEJSXWLSSA-N	-1	1	313.358	-1.805	20	0		DAADMM
O=C(CCc1nc[nH]n1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001219440931	780097005	/nfs/dbraw/zinc/09/70/05/780097005.db2.gz	GJJIFNWCKDUUEJ-SFYZADRCSA-N	-1	1	322.329	-2.078	20	0		DAADMM
COC[C@H](O)CN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1	ZINC001219462720	780100181	/nfs/dbraw/zinc/10/01/81/780100181.db2.gz	ZZTLDAIRLOPGKU-BBBLOLIVSA-N	-1	1	314.342	-1.794	20	0		DAADMM
COC[C@@H](O)CN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1	ZINC001219462719	780100773	/nfs/dbraw/zinc/10/07/73/780100773.db2.gz	ZZTLDAIRLOPGKU-AEJSXWLSSA-N	-1	1	314.342	-1.794	20	0		DAADMM
CCNC(=O)CN1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC001219495418	780104643	/nfs/dbraw/zinc/10/46/43/780104643.db2.gz	FOZUVLDWZXQYAQ-KOLCDFICSA-N	-1	1	308.338	-1.302	20	0		DAADMM
C[C@H]1[C@H](NC(=O)[C@H](N)Cc2c[nH]cn2)C(=O)N1S(=O)(=O)[O-]	ZINC001220099533	780178495	/nfs/dbraw/zinc/17/84/95/780178495.db2.gz	QUVILOKKQZXYSA-ARDNSNSESA-N	-1	1	317.327	-2.202	20	0		DAADMM
C[C@H]1[C@H](NC(=O)C[C@H]2COCCN2)C(=O)N1S(=O)(=O)[O-]	ZINC001220101146	780178523	/nfs/dbraw/zinc/17/85/23/780178523.db2.gz	AEQURNJTKIAVHC-ZKWXMUAHSA-N	-1	1	307.328	-2.117	20	0		DAADMM
CC[C@@H](F)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001220145204	780184888	/nfs/dbraw/zinc/18/48/88/780184888.db2.gz	WFTGTRXBULBFKL-HLTSFMKQSA-N	-1	1	301.322	-1.482	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)CCCF)[C@@H](O)C2)nc1=O	ZINC001220160810	780185818	/nfs/dbraw/zinc/18/58/18/780185818.db2.gz	HYHKYTWVEWVXGA-BDAKNGLRSA-N	-1	1	301.322	-1.481	20	0		DAADMM
N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCCOP(=O)([O-])[O-]	ZINC001220220967	780191573	/nfs/dbraw/zinc/19/15/73/780191573.db2.gz	MEYVAIGRBHGGCD-VIFPVBQESA-N	-1	1	310.291	-2.038	20	0		DAADMM
NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCS(=O)(=O)[O-]	ZINC001220240944	780193838	/nfs/dbraw/zinc/19/38/38/780193838.db2.gz	RMALIAJWRYCREI-JTQLQIEISA-N	-1	1	315.351	-1.366	20	0		DAADMM
N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCc1n[nH]c(=O)[n-]1	ZINC001220251707	780196599	/nfs/dbraw/zinc/19/65/99/780196599.db2.gz	CDPWIRBZULCCGS-JTQLQIEISA-N	-1	1	318.337	-1.187	20	0		DAADMM
Cn1[n-]c(CN2CCC(CNC(=O)CC(N)=O)CC2)nc1=O	ZINC001222692047	780312851	/nfs/dbraw/zinc/31/28/51/780312851.db2.gz	XLTNMQSBRAJBPE-UHFFFAOYSA-N	-1	1	310.358	-1.688	20	0		DAADMM
O=S(=O)([O-])C[C@H](CN1CCOCC1)OCc1nn[nH]n1	ZINC001223030358	780315153	/nfs/dbraw/zinc/31/51/53/780315153.db2.gz	WGTQIURTAVTMAC-QMMMGPOBSA-N	-1	1	307.332	-1.695	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)NC1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001225910653	780329441	/nfs/dbraw/zinc/32/94/41/780329441.db2.gz	HQZLXEKFNOXUJZ-SECBINFHSA-N	-1	1	324.385	-1.286	20	0		DAADMM
Cn1[n-]nnc1=NC(=O)C1=NO[C@@H]2CN(Cc3c[nH]nn3)C[C@H]12	ZINC001277375871	780356242	/nfs/dbraw/zinc/35/62/42/780356242.db2.gz	RVQKGCCFJNNZRR-JGVFFNPUSA-N	-1	1	318.301	-2.425	20	0		DAADMM
CC(=O)N(C)CC(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001230819061	780375692	/nfs/dbraw/zinc/37/56/92/780375692.db2.gz	LBSWUNBHTQEWBQ-LLVKDONJSA-N	-1	1	324.385	-1.381	20	0		DAADMM
CN(CCCNC(=O)CS(C)(=O)=O)Cc1nc(=O)n(C)[n-]1	ZINC001234984685	780413978	/nfs/dbraw/zinc/41/39/78/780413978.db2.gz	UZLWJHRQDWUSPW-UHFFFAOYSA-N	-1	1	319.387	-1.909	20	0		DAADMM
C[S@](=O)CCCNC(=S)Nc1c(O)[nH]c(=O)[n-]c1=S	ZINC001246693238	780457263	/nfs/dbraw/zinc/45/72/63/780457263.db2.gz	CJODXKAICJYBJW-AFAXDDTQSA-N	-1	1	322.437	-1.246	20	0		DAADMM
CCOCCO[N-]C(=O)C(=O)NC[C@@H]1CN(C)CCN1C	ZINC001258383657	780521276	/nfs/dbraw/zinc/52/12/76/780521276.db2.gz	OCJOWWSBSLULOU-LLVKDONJSA-N	-1	1	302.375	-1.567	20	0		DAADMM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CC(N)=O)C(N)=O	ZINC001258487067	780522930	/nfs/dbraw/zinc/52/29/30/780522930.db2.gz	VLAKYIWEDKWSBV-YFKPBYRVSA-N	-1	1	323.762	-1.610	20	0		DAADMM
O=C1[N-]OC[C@H]1NS(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260178660	780529988	/nfs/dbraw/zinc/52/99/88/780529988.db2.gz	KWJDSBMTIQSHNC-SCSAIBSYSA-N	-1	1	318.702	-1.514	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)C(=O)N3CC(CC(N)=O)C3)ccnc1-2	ZINC001260404364	780531401	/nfs/dbraw/zinc/53/14/01/780531401.db2.gz	OBEQOURNCZUJNT-UHFFFAOYSA-N	-1	1	316.321	-1.386	20	0		DAADMM
CCOCCS(=O)(=O)NCC(=O)NN1CC(=O)[N-]C1=O	ZINC001261199411	780539784	/nfs/dbraw/zinc/53/97/84/780539784.db2.gz	OMFPEWLBHRYNQB-UHFFFAOYSA-N	-1	1	308.316	-2.475	20	0		DAADMM
CN1CC[C@@H](C(=O)NC[C@@H](NCc2n[nH]c(=O)[n-]2)C2CC2)C1=O	ZINC001265368605	780600658	/nfs/dbraw/zinc/60/06/58/780600658.db2.gz	UORBJERPMDKIFD-VHSXEESVSA-N	-1	1	322.369	-1.027	20	0		DAADMM
CCC(=O)N1C[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@@H](O)C1	ZINC001281910333	780695809	/nfs/dbraw/zinc/69/58/09/780695809.db2.gz	VVDPZWFMNGPQLS-ZJUUUORDSA-N	-1	1	324.337	-1.975	20	0		DAADMM
C[C@@H](CNC(=O)[C@H]1CCCNC1=O)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001282401809	780705524	/nfs/dbraw/zinc/70/55/24/780705524.db2.gz	JLMJLWNVHFKDDT-UWVGGRQHSA-N	-1	1	324.385	-1.429	20	0		DAADMM
C[C@@H](CNC(=O)[C@@H]1CCCNC1=O)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001282401810	780705641	/nfs/dbraw/zinc/70/56/41/780705641.db2.gz	JLMJLWNVHFKDDT-VHSXEESVSA-N	-1	1	324.385	-1.429	20	0		DAADMM
CCOCC(=O)NCCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001283171343	780747531	/nfs/dbraw/zinc/74/75/31/780747531.db2.gz	AAYHAJNNKDSENO-UHFFFAOYSA-N	-1	1	322.325	-1.310	20	0		DAADMM
COCC(=O)N1CC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001283329508	780756110	/nfs/dbraw/zinc/75/61/10/780756110.db2.gz	VXYQOYKBWBVYAY-SNVBAGLBSA-N	-1	1	324.337	-1.710	20	0		DAADMM
COCC(=O)N1CC[C@@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001285877424	780894522	/nfs/dbraw/zinc/89/45/22/780894522.db2.gz	YIUWTZQFEAILSJ-SNVBAGLBSA-N	-1	1	324.337	-1.710	20	0		DAADMM
CCC(=O)NC[C@@H](CO)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001287732855	780922012	/nfs/dbraw/zinc/92/20/12/780922012.db2.gz	VPVYJYXKBIDCGU-VIFPVBQESA-N	-1	1	312.326	-2.070	20	0		DAADMM
NS(=O)(=O)CCCC(=O)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21	ZINC001144594267	781379194	/nfs/dbraw/zinc/37/91/94/781379194.db2.gz	GNKGQXZUDDJUSY-UHFFFAOYSA-N	-1	1	316.299	-1.277	20	0		DAADMM
O=C(CN1CCC(=O)NC1=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001146879002	781423039	/nfs/dbraw/zinc/42/30/39/781423039.db2.gz	PLKVYYIFRGKGFP-UHFFFAOYSA-N	-1	1	311.302	-2.342	20	0		DAADMM
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cnc[nH]1	ZINC001147249216	781434950	/nfs/dbraw/zinc/43/49/50/781434950.db2.gz	UVDGGCMHSOPKDE-UHFFFAOYSA-N	-1	1	315.271	-1.880	20	0		DAADMM
NC(=O)N1CCCC[C@H]1C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001147322363	781438975	/nfs/dbraw/zinc/43/89/75/781438975.db2.gz	ZLNPWWLHMLAWJT-QMMMGPOBSA-N	-1	1	311.346	-1.351	20	0		DAADMM
COC(=O)CNC(=O)CNC(=O)c1c(CO)cnc(C)c1[O-]	ZINC001147844821	781458938	/nfs/dbraw/zinc/45/89/38/781458938.db2.gz	YNBYLKQTPFVZLK-UHFFFAOYSA-N	-1	1	311.294	-1.393	20	0		DAADMM
C[C@@]12CN(CC(N)=O)C[C@@H]1CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2	ZINC001092232761	781496026	/nfs/dbraw/zinc/49/60/26/781496026.db2.gz	BNMPTJYVBHTGPD-OQPBUACISA-N	-1	1	324.341	-2.045	20	0		DAADMM
C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@@H]1CCNC1=O	ZINC001092884121	781502793	/nfs/dbraw/zinc/50/27/93/781502793.db2.gz	SWDFWTDYGGGFGY-OPRDCNLKSA-N	-1	1	322.369	-1.170	20	0		DAADMM
CNC(=O)CN1C[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](C)C1	ZINC001092782464	781503080	/nfs/dbraw/zinc/50/30/80/781503080.db2.gz	NTYIOFNFQZRGOT-HTQZYQBOSA-N	-1	1	324.341	-1.674	20	0		DAADMM
CCNCc1cn(C2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)nn1	ZINC001093325841	781510659	/nfs/dbraw/zinc/51/06/59/781510659.db2.gz	SOGQVBOBWKWITJ-UHFFFAOYSA-N	-1	1	320.313	-1.319	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)NCCNc1ncnc2[nH]cnc21	ZINC001093779615	781521970	/nfs/dbraw/zinc/52/19/70/781521970.db2.gz	QPDDRZABOYWOHF-UHFFFAOYSA-N	-1	1	319.285	-1.465	20	0		DAADMM
CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1SC(=O)[N-]C1=O	ZINC001176380393	781617649	/nfs/dbraw/zinc/61/76/49/781617649.db2.gz	QQMZAHFXMNCBHI-XCBNKYQSSA-N	-1	1	311.323	-1.118	20	0		DAADMM
C[C@H](Cc1cn(C)nn1)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001176841117	781623142	/nfs/dbraw/zinc/62/31/42/781623142.db2.gz	PIWWNHPYPISYEU-SECBINFHSA-N	-1	1	306.326	-1.197	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CCCC[C@H]1C(=O)N1CCOCC1	ZINC001176841120	781623280	/nfs/dbraw/zinc/62/32/80/781623280.db2.gz	RRJWYNBYUAXATI-JTQLQIEISA-N	-1	1	308.342	-1.018	20	0		DAADMM
CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)Cc1nn[n-]n1)C2	ZINC001176840821	781623384	/nfs/dbraw/zinc/62/33/84/781623384.db2.gz	NZYPTJSNSGFFLX-GFCCVEGCSA-N	-1	1	307.314	-2.308	20	0		DAADMM
CC(=O)N1CCC[C@]2(C1)CN(C(=O)Cc1nn[n-]n1)CCO2	ZINC001176840393	781623486	/nfs/dbraw/zinc/62/34/86/781623486.db2.gz	JKFLGIPFELVIAD-ZDUSSCGKSA-N	-1	1	308.342	-1.018	20	0		DAADMM
Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)Cc2nn[n-]n2)cn1	ZINC001176839964	781623528	/nfs/dbraw/zinc/62/35/28/781623528.db2.gz	IZIWXGGPCRNXLC-VHSXEESVSA-N	-1	1	316.325	-1.118	20	0		DAADMM
COc1cc(N2CCN(C(=O)Cc3nn[n-]n3)CC2)ncn1	ZINC001176842960	781623667	/nfs/dbraw/zinc/62/36/67/781623667.db2.gz	WXEHZMAVFYYERQ-UHFFFAOYSA-N	-1	1	304.314	-1.110	20	0		DAADMM
CC(=O)N1CCC[C@@]2(C1)CN(C(=O)Cc1nn[n-]n1)CCO2	ZINC001176840391	781624027	/nfs/dbraw/zinc/62/40/27/781624027.db2.gz	JKFLGIPFELVIAD-CYBMUJFWSA-N	-1	1	308.342	-1.018	20	0		DAADMM
COCCOCCOCCOCCNC(=O)Cc1nn[n-]n1	ZINC001176845846	781625357	/nfs/dbraw/zinc/62/53/57/781625357.db2.gz	SSENSBQMLATWHL-UHFFFAOYSA-N	-1	1	317.346	-1.445	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CCNC(N)=O	ZINC001180096046	781664397	/nfs/dbraw/zinc/66/43/97/781664397.db2.gz	DFNRRSWATDRNCA-YUMQZZPRSA-N	-1	1	311.346	-1.352	20	0		DAADMM
C[C@H](O)CC(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC001181356893	781687434	/nfs/dbraw/zinc/68/74/34/781687434.db2.gz	LUDSBMWRIQMARX-WPRPVWTQSA-N	-1	1	312.326	-1.201	20	0		DAADMM
CSc1nc(NC(=O)C[C@@H]2NC(=O)CNC2=O)cc(=O)[n-]1	ZINC001183714291	781731230	/nfs/dbraw/zinc/73/12/30/781731230.db2.gz	LICVJVBNBYTFRA-YFKPBYRVSA-N	-1	1	311.323	-1.153	20	0		DAADMM
O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)C[C@@H]1NC(=O)CNC1=O	ZINC001183718720	781732962	/nfs/dbraw/zinc/73/29/62/781732962.db2.gz	RFKCCVVFOMFHLS-VKHMYHEASA-N	-1	1	310.226	-1.771	20	0		DAADMM
CN(CC(=O)N1CCc2nc[nH]c2C1)C(N)=[NH+]P(=O)([O-])[O-]	ZINC001185653638	781762408	/nfs/dbraw/zinc/76/24/08/781762408.db2.gz	HHVBRWKZODGCMJ-UHFFFAOYSA-N	-1	1	316.258	-1.157	20	0		DAADMM
COCCOCC[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001185854703	781766759	/nfs/dbraw/zinc/76/67/59/781766759.db2.gz	OUWQZNUICHUIIS-UHFFFAOYSA-N	-1	1	307.328	-1.573	20	0		DAADMM
CC(=O)NCC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001186693538	781788043	/nfs/dbraw/zinc/78/80/43/781788043.db2.gz	OEDZRIIVRHBGHU-WDEREUQCSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CCOC(=O)c1c[n-]c(NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)n1	ZINC001187511789	781798212	/nfs/dbraw/zinc/79/82/12/781798212.db2.gz	VOPYSOKTWNKTJQ-ZETCQYMHSA-N	-1	1	323.309	-1.080	20	0		DAADMM
O=C(CNC(=O)[C@@H]1CCC(=O)N1)NCCCC[P@@](=O)([O-])O	ZINC001187524078	781799909	/nfs/dbraw/zinc/79/99/09/781799909.db2.gz	FFUXPHYILVTDDB-QMMMGPOBSA-N	-1	1	321.270	-1.545	20	0		DAADMM
COC(=O)CNC(=O)CNC(=O)c1n[n-]nc1C(F)(F)F	ZINC001187770348	781806708	/nfs/dbraw/zinc/80/67/08/781806708.db2.gz	LNZNYVIEZABMCO-UHFFFAOYSA-N	-1	1	309.204	-1.158	20	0		DAADMM
NC(=O)C([N-]S(=O)(=O)Cc1cccc(F)c1F)C(N)=O	ZINC001189472523	781842354	/nfs/dbraw/zinc/84/23/54/781842354.db2.gz	UKKKSRZKEPDKCO-UHFFFAOYSA-N	-1	1	307.278	-1.277	20	0		DAADMM
CNC(=O)CC(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001189837411	781851838	/nfs/dbraw/zinc/85/18/38/781851838.db2.gz	PFLNXQISZYNQLE-VIFPVBQESA-N	-1	1	310.358	-1.723	20	0		DAADMM
CNC(=O)CC(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001189837410	781852991	/nfs/dbraw/zinc/85/29/91/781852991.db2.gz	PFLNXQISZYNQLE-SECBINFHSA-N	-1	1	310.358	-1.723	20	0		DAADMM
CSCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001190885989	781885484	/nfs/dbraw/zinc/88/54/84/781885484.db2.gz	ACUBQMXPNDOORU-HTQZYQBOSA-N	-1	1	301.372	-1.867	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)nc1=O	ZINC001190953044	781893924	/nfs/dbraw/zinc/89/39/24/781893924.db2.gz	XBULLRACLGGJGQ-RNFRBKRXSA-N	-1	1	313.318	-3.562	20	0		DAADMM
CC[C@@H](OC)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001191607249	781916560	/nfs/dbraw/zinc/91/65/60/781916560.db2.gz	FJYRLUKLGSVZNX-OPRDCNLKSA-N	-1	1	313.358	-1.805	20	0		DAADMM
C[C@H](CNC(=O)c1ccc(=O)n(C)n1)NCc1n[nH]c(=O)[n-]1	ZINC001376866179	921739220	/nfs/dbraw/zinc/73/92/20/921739220.db2.gz	NTVNYPJHUQKPCO-SSDOTTSWSA-N	-1	1	307.314	-1.488	20	0		DAADMM
C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)NCc1n[nH]c(=O)[n-]1	ZINC001376866187	921740442	/nfs/dbraw/zinc/74/04/42/921740442.db2.gz	NTVNYPJHUQKPCO-ZETCQYMHSA-N	-1	1	307.314	-1.488	20	0		DAADMM
C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)NCc1n[nH]c(=O)[n-]1	ZINC001376882998	921742954	/nfs/dbraw/zinc/74/29/54/921742954.db2.gz	HKUCLTVKDBWCIQ-ZETCQYMHSA-N	-1	1	309.330	-1.544	20	0		DAADMM
O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@](CO)(NCCF)C1	ZINC001377165843	921775558	/nfs/dbraw/zinc/77/55/58/921775558.db2.gz	UKLPJNUFXZAMFI-LBPRGKRZSA-N	-1	1	315.305	-1.191	20	0		DAADMM
CN(CCNC(=O)C[C@H]1CCC(=O)NC1)Cc1nc(=O)n(C)[n-]1	ZINC001377167109	921776161	/nfs/dbraw/zinc/77/61/61/921776161.db2.gz	NITGTOMUUZBQBO-SNVBAGLBSA-N	-1	1	324.385	-1.427	20	0		DAADMM
CN(CCNC(=O)C[C@H]1CCN(C)C1=O)Cc1nc(=O)n(C)[n-]1	ZINC001377171270	921777220	/nfs/dbraw/zinc/77/72/20/921777220.db2.gz	JXPWDYPQCGGBSV-SNVBAGLBSA-N	-1	1	324.385	-1.475	20	0		DAADMM
Cc1nnc(CC(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)o1	ZINC001377175551	921779643	/nfs/dbraw/zinc/77/96/43/921779643.db2.gz	LEFMCBJSYCYEGI-UHFFFAOYSA-N	-1	1	309.330	-1.409	20	0		DAADMM
O=C(N[C@@H]1CCN(CCO)C[C@@H]1O)c1c[n-]n2c1nccc2=O	ZINC001090628508	916110878	/nfs/dbraw/zinc/11/08/78/916110878.db2.gz	AOYHULLYDYHHBD-MNOVXSKESA-N	-1	1	321.337	-1.820	20	0		DAADMM
O=C(N[C@@H]1CCN(CCO)C[C@H]1O)c1c[n-]n2c1nccc2=O	ZINC001090628506	916111189	/nfs/dbraw/zinc/11/11/89/916111189.db2.gz	AOYHULLYDYHHBD-GHMZBOCLSA-N	-1	1	321.337	-1.820	20	0		DAADMM
NC(=O)CO[N-]C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	ZINC001137887534	916142979	/nfs/dbraw/zinc/14/29/79/916142979.db2.gz	LATKTHVMVYEWTA-SFYZADRCSA-N	-1	1	319.339	-2.445	20	0		DAADMM
COC(=O)/C=C\[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001309958740	916206062	/nfs/dbraw/zinc/20/60/62/916206062.db2.gz	FKFTYOPBWSUHFF-IQXGSHKSSA-N	-1	1	317.323	-1.118	20	0		DAADMM
COC(=O)/C=C/[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001309958741	916207367	/nfs/dbraw/zinc/20/73/67/916207367.db2.gz	FKFTYOPBWSUHFF-KPJROHGDSA-N	-1	1	317.323	-1.118	20	0		DAADMM
CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)CCc1cnn(C)n1	ZINC001317626418	916338808	/nfs/dbraw/zinc/33/88/08/916338808.db2.gz	AXZVNXBVBMMFOQ-UHFFFAOYSA-N	-1	1	308.346	-1.180	20	0		DAADMM
CN1CC(=O)N(CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1=O	ZINC001318395050	916392340	/nfs/dbraw/zinc/39/23/40/916392340.db2.gz	JJKPDTFVDQTGDS-SSDOTTSWSA-N	-1	1	309.286	-2.006	20	0		DAADMM
CCS(=O)(=O)CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001318452569	916393777	/nfs/dbraw/zinc/39/37/77/916393777.db2.gz	VPPOEGYTMOZWBZ-UHFFFAOYSA-N	-1	1	303.340	-1.522	20	0		DAADMM
CN(CCNS(C)(=O)=O)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001318512994	916399198	/nfs/dbraw/zinc/39/91/98/916399198.db2.gz	APRBQUNJHUEYSI-UHFFFAOYSA-N	-1	1	318.355	-2.066	20	0		DAADMM
CCS(=O)(=O)CCN(C)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001319637525	916445991	/nfs/dbraw/zinc/44/59/91/916445991.db2.gz	LPMRIRGEWAYOJY-UHFFFAOYSA-N	-1	1	317.367	-1.180	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCC1(CO)CCOCC1	ZINC001320011473	916465032	/nfs/dbraw/zinc/46/50/32/916465032.db2.gz	GFCHFFFQVKTFQC-UHFFFAOYSA-N	-1	1	311.338	-1.168	20	0		DAADMM
COC(=O)c1ccccc1NC(=O)C(=O)NN1CC(=O)[N-]C1=O	ZINC001321386950	916571291	/nfs/dbraw/zinc/57/12/91/916571291.db2.gz	ZHURQCXLMNFBNU-UHFFFAOYSA-N	-1	1	320.261	-1.005	20	0		DAADMM
CS(=O)(=O)[C@@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001321706086	916590259	/nfs/dbraw/zinc/59/02/59/916590259.db2.gz	NLCKZACUFGFFML-SECBINFHSA-N	-1	1	315.351	-1.428	20	0		DAADMM
COC[C@@H](CO)NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001322979493	916682175	/nfs/dbraw/zinc/68/21/75/916682175.db2.gz	JSIJKARFQYXVIK-MRVPVSSYSA-N	-1	1	307.310	-1.596	20	0		DAADMM
C[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)C(=O)N(C)C	ZINC001323219561	916701450	/nfs/dbraw/zinc/70/14/50/916701450.db2.gz	VYXODOQTBUNQQD-MRVPVSSYSA-N	-1	1	318.337	-1.127	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)C(=O)N3C[C@@H](O)[C@@H](O)C3)ccnc1-2	ZINC001323242149	916705179	/nfs/dbraw/zinc/70/51/79/916705179.db2.gz	APNIKCISKQAJMR-AOOOYVTPSA-N	-1	1	305.294	-2.156	20	0		DAADMM
C[C@@H](C(N)=O)N1CC(N(C)C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001323995639	916761549	/nfs/dbraw/zinc/76/15/49/916761549.db2.gz	ZMHYLGVIYGBGSJ-VIFPVBQESA-N	-1	1	323.353	-2.057	20	0		DAADMM
COCC[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C(=O)OC	ZINC001324142216	916768389	/nfs/dbraw/zinc/76/83/89/916768389.db2.gz	BDDUTAYQMAYREM-VIFPVBQESA-N	-1	1	313.310	-1.379	20	0		DAADMM
CN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)C1=O	ZINC001324908206	916801867	/nfs/dbraw/zinc/80/18/67/916801867.db2.gz	XZUQFYWMYNOMCV-ZETCQYMHSA-N	-1	1	321.297	-1.674	20	0		DAADMM
CN1C(=O)CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1=O	ZINC001325905239	916871547	/nfs/dbraw/zinc/87/15/47/916871547.db2.gz	YPVYBYSZNCSZKF-QMMMGPOBSA-N	-1	1	308.294	-1.810	20	0		DAADMM
O=C(C[C@H]1CCOC1)N(CCO)CCNCc1n[nH]c(=O)[n-]1	ZINC001326086423	916895586	/nfs/dbraw/zinc/89/55/86/916895586.db2.gz	SAQDYTHXTNRXAI-SNVBAGLBSA-N	-1	1	313.358	-1.153	20	0		DAADMM
O=C(Cn1cnnn1)N1CC[C@H](CCNCc2n[nH]c(=O)[n-]2)C1	ZINC001326191465	916904988	/nfs/dbraw/zinc/90/49/88/916904988.db2.gz	QKPDZXMDWARLFR-VIFPVBQESA-N	-1	1	321.345	-1.475	20	0		DAADMM
O=C(Cn1ncnn1)N1CC[C@H](CCNCc2n[nH]c(=O)[n-]2)C1	ZINC001326273118	916912194	/nfs/dbraw/zinc/91/21/94/916912194.db2.gz	QUENIJBUNCBMHD-VIFPVBQESA-N	-1	1	321.345	-1.475	20	0		DAADMM
Cn1ncc(CCCNC(=O)CCn2cc[n-]c(=O)c2=O)n1	ZINC001326369698	916915083	/nfs/dbraw/zinc/91/50/83/916915083.db2.gz	HQBWQSHQFYIRST-UHFFFAOYSA-N	-1	1	306.326	-1.196	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1	ZINC001327540544	917022101	/nfs/dbraw/zinc/02/21/01/917022101.db2.gz	HGNRRNFDZLVHSZ-ZJUUUORDSA-N	-1	1	312.370	-1.088	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1	ZINC001327540539	917023079	/nfs/dbraw/zinc/02/30/79/917023079.db2.gz	HGNRRNFDZLVHSZ-NXEZZACHSA-N	-1	1	312.370	-1.088	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCC(=O)NCC(F)(F)F	ZINC001328049680	917059443	/nfs/dbraw/zinc/05/94/43/917059443.db2.gz	DRZJFVJGBXGCAW-UHFFFAOYSA-N	-1	1	322.243	-1.279	20	0		DAADMM
C[C@H]1C[C@H](NC(=O)CC(N)=O)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001328247623	917073400	/nfs/dbraw/zinc/07/34/00/917073400.db2.gz	ZMIMUUAKIBRYTQ-DTWKUNHWSA-N	-1	1	310.358	-1.547	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)C(=O)N[C@H]3C[C@H](C(N)=O)C3)ccnc1-2	ZINC001329131936	917145512	/nfs/dbraw/zinc/14/55/12/917145512.db2.gz	DHLDNVJRQQSAQI-ZKCHVHJHSA-N	-1	1	316.321	-1.340	20	0		DAADMM
CNC(=O)C1(C(=O)NC[C@@H](C)N(C)Cc2nc(=O)n(C)[n-]2)CC1	ZINC001329576909	917181710	/nfs/dbraw/zinc/18/17/10/917181710.db2.gz	SIDOBHPTLZVPCF-SECBINFHSA-N	-1	1	324.385	-1.429	20	0		DAADMM
O=C(c1ccn2nnnc2c1)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001330835164	917265584	/nfs/dbraw/zinc/26/55/84/917265584.db2.gz	KREJVIQZZFCRLO-QMMMGPOBSA-N	-1	1	301.270	-1.149	20	0		DAADMM
O=C(Cn1[nH]cc2c(=O)ncnc1-2)[N-]OCCN1CCCC1=O	ZINC001330966629	917271211	/nfs/dbraw/zinc/27/12/11/917271211.db2.gz	PLKOQGBVMIGSCG-UHFFFAOYSA-N	-1	1	320.309	-1.259	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NN1CCS(=O)(=O)CC1	ZINC001331808219	917343735	/nfs/dbraw/zinc/34/37/35/917343735.db2.gz	SFYNBWTZBGOBFU-UHFFFAOYSA-N	-1	1	316.339	-2.312	20	0		DAADMM
COC(=O)CNC(=O)CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001332905089	917417608	/nfs/dbraw/zinc/41/76/08/917417608.db2.gz	IOSFDYRTKSVXCY-UHFFFAOYSA-N	-1	1	312.282	-2.668	20	0		DAADMM
COC[C@@H]1CNCCN1C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001336937084	917610596	/nfs/dbraw/zinc/61/05/96/917610596.db2.gz	VZTOPSQZPVVSLL-WDEREUQCSA-N	-1	1	313.354	-1.244	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCO[C@@]2(CCOC2)C1	ZINC001338133331	917669100	/nfs/dbraw/zinc/66/91/00/917669100.db2.gz	JIKPJZFMOZSQPZ-AWEZNQCLSA-N	-1	1	309.322	-1.055	20	0		DAADMM
CN(C[C@H](O)CN(C)C(=O)c1ncccc1[O-])C(=O)C(N)=O	ZINC001338658132	917701226	/nfs/dbraw/zinc/70/12/26/917701226.db2.gz	GHEBREIWOKSBEN-MRVPVSSYSA-N	-1	1	310.310	-1.836	20	0		DAADMM
CCCN1CCCN(C(=O)[C@]2(C(=O)[O-])CNCCO2)CC1=O	ZINC001340280842	917733105	/nfs/dbraw/zinc/73/31/05/917733105.db2.gz	CRDQIHYIGYSTIX-AWEZNQCLSA-N	-1	1	313.354	-1.100	20	0		DAADMM
COC[C@H](O)CCNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001342398260	917782045	/nfs/dbraw/zinc/78/20/45/917782045.db2.gz	ZPXWEOLKPFFRII-SECBINFHSA-N	-1	1	321.337	-1.206	20	0		DAADMM
CN(C)S(=O)(=O)CCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001343779790	917814741	/nfs/dbraw/zinc/81/47/41/917814741.db2.gz	CRZKRTWPFHOFRO-UHFFFAOYSA-N	-1	1	318.355	-2.066	20	0		DAADMM
CC(=O)NCCCNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001346469499	917889482	/nfs/dbraw/zinc/88/94/82/917889482.db2.gz	VBCSEYZNKGKEMG-UHFFFAOYSA-N	-1	1	318.337	-1.077	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C	ZINC001349705676	918032563	/nfs/dbraw/zinc/03/25/63/918032563.db2.gz	FHTSXMNZSZXNIC-SNVBAGLBSA-N	-1	1	315.374	-2.468	20	0		DAADMM
CC(C)C(=O)N1CCN(C(=O)[C@]2(C(=O)[O-])CNCCO2)CC1	ZINC001356511899	918232157	/nfs/dbraw/zinc/23/21/57/918232157.db2.gz	LKMAOCSODVDXQJ-AWEZNQCLSA-N	-1	1	313.354	-1.244	20	0		DAADMM
COC[C@@H]1CN(C(=O)[C@]2(C(=O)[O-])CNCCO2)C[C@H](C)O1	ZINC001357545246	918297882	/nfs/dbraw/zinc/29/78/82/918297882.db2.gz	KPEZOGKOWGWYIG-KWBADKCTSA-N	-1	1	302.327	-1.308	20	0		DAADMM
CNS(=O)(=O)[C@@H]1CCCN(C(=O)CCc2nn[n-]n2)C1	ZINC001361833331	918414961	/nfs/dbraw/zinc/41/49/61/918414961.db2.gz	NMDLIZRRUKAVLH-MRVPVSSYSA-N	-1	1	302.360	-1.328	20	0		DAADMM
O=C([C@H]1CCS(=O)(=O)C1)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001361921031	918424252	/nfs/dbraw/zinc/42/42/52/918424252.db2.gz	CMFFEFDSSWWFHV-YUMQZZPRSA-N	-1	1	301.328	-1.466	20	0		DAADMM
O=C(CNS(=O)(=O)c1ccc(F)cc1)NCc1nn[n-]n1	ZINC001361916327	918425546	/nfs/dbraw/zinc/42/55/46/918425546.db2.gz	YASAKZLNDPZURN-UHFFFAOYSA-N	-1	1	314.302	-1.067	20	0		DAADMM
CS(=O)(=O)CCCC(=O)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001361923954	918426914	/nfs/dbraw/zinc/42/69/14/918426914.db2.gz	JTZZJHWUUULGOZ-QMMMGPOBSA-N	-1	1	303.344	-1.076	20	0		DAADMM
O=C([C@H]1CCc2nncn2C1)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001361930428	918428662	/nfs/dbraw/zinc/42/86/62/918428662.db2.gz	XUSKKJBFLITPPK-IUCAKERBSA-N	-1	1	304.314	-1.046	20	0		DAADMM
O=C(CCc1nn[n-]n1)NCCN1CCS(=O)(=O)CC1	ZINC001362027333	918441206	/nfs/dbraw/zinc/44/12/06/918441206.db2.gz	QKAMEOCODFJIQT-UHFFFAOYSA-N	-1	1	302.360	-2.021	20	0		DAADMM
O=C([C@@H]1CCS(=O)(=O)N1)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001362087846	918456137	/nfs/dbraw/zinc/45/61/37/918456137.db2.gz	GNSXPVOOIOODFB-NKWVEPMBSA-N	-1	1	302.316	-2.209	20	0		DAADMM
O=C(CN1CCOCC1=O)N1CCSC[C@@H]1c1nn[n-]n1	ZINC001362368859	918506639	/nfs/dbraw/zinc/50/66/39/918506639.db2.gz	FKQIGABFKOMMRP-MRVPVSSYSA-N	-1	1	312.355	-1.325	20	0		DAADMM
O=C(CN1CCNC(=O)C1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC001362376426	918508486	/nfs/dbraw/zinc/50/84/86/918508486.db2.gz	QXZTWCBRQGJJFP-SECBINFHSA-N	-1	1	309.326	-1.087	20	0		DAADMM
CS(=O)(=O)NCCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC001362373994	918509626	/nfs/dbraw/zinc/50/96/26/918509626.db2.gz	IOCITGAKPOYSGF-MRVPVSSYSA-N	-1	1	302.360	-1.155	20	0		DAADMM
O=C(CC1(O)CCOCC1)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001362388056	918511217	/nfs/dbraw/zinc/51/12/17/918511217.db2.gz	OACMPYIEMVMQIT-UHFFFAOYSA-N	-1	1	311.342	-1.059	20	0		DAADMM
NS(=O)(=O)CCCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC001362406199	918514490	/nfs/dbraw/zinc/51/44/90/918514490.db2.gz	KLILPLXJDIPVCW-MRVPVSSYSA-N	-1	1	302.360	-1.026	20	0		DAADMM
O=C(CN1CCNC(=O)C1)N1CCSC[C@H]1c1nn[n-]n1	ZINC001362412793	918516517	/nfs/dbraw/zinc/51/65/17/918516517.db2.gz	WMPJIFMLRCVIKS-QMMMGPOBSA-N	-1	1	311.371	-1.752	20	0		DAADMM
CNS(=O)(=O)N1CCN(C(=O)CCCc2nn[n-]n2)CC1	ZINC001362445685	918521800	/nfs/dbraw/zinc/52/18/00/918521800.db2.gz	YCZOMNWVEJYCHG-UHFFFAOYSA-N	-1	1	317.375	-1.869	20	0		DAADMM
COC(=O)[C@@]1(NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CCOC1	ZINC001362440860	918522351	/nfs/dbraw/zinc/52/23/51/918522351.db2.gz	KIZMMNKSYOMGDN-GFCCVEGCSA-N	-1	1	313.266	-1.042	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CN(C)NC2=O)co1	ZINC001362559525	918549736	/nfs/dbraw/zinc/54/97/36/918549736.db2.gz	VDCDFXDBEHYCFH-SSDOTTSWSA-N	-1	1	302.312	-1.737	20	0		DAADMM
CS(=O)(=O)CC1(NC(=O)CCCc2nn[n-]n2)COC1	ZINC001362616933	918563209	/nfs/dbraw/zinc/56/32/09/918563209.db2.gz	WSAUUHOXZHJIBQ-UHFFFAOYSA-N	-1	1	303.344	-1.548	20	0		DAADMM
CNS(=O)(=O)NCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC001362685614	918577622	/nfs/dbraw/zinc/57/76/22/918577622.db2.gz	GUCQVIUGSBCBSZ-SSDOTTSWSA-N	-1	1	303.348	-2.041	20	0		DAADMM
CNC(=O)NC[C@H]1CN(C(=O)CCCc2nn[n-]n2)CCO1	ZINC001362719615	918586515	/nfs/dbraw/zinc/58/65/15/918586515.db2.gz	LKXDJAXGCIDXEY-VIFPVBQESA-N	-1	1	311.346	-1.321	20	0		DAADMM
Cn1ncc(CCC(=O)N2CCC(O)(c3nn[n-]n3)CC2)n1	ZINC001362727510	918589565	/nfs/dbraw/zinc/58/95/65/918589565.db2.gz	SFLSTJQCJIEWLC-UHFFFAOYSA-N	-1	1	306.330	-1.229	20	0		DAADMM
O=C(Cn1ccccc1=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001362733472	918592017	/nfs/dbraw/zinc/59/20/17/918592017.db2.gz	XTMHWACUFXXALJ-UHFFFAOYSA-N	-1	1	304.310	-1.128	20	0		DAADMM
COC1(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)CS(=O)(=O)C1	ZINC001362760450	918597635	/nfs/dbraw/zinc/59/76/35/918597635.db2.gz	LSLHPTHUCFTPSL-SSDOTTSWSA-N	-1	1	317.327	-2.087	20	0		DAADMM
O=C([C@@H]1CCS(=O)(=O)N1)N1CCOC[C@H]1c1nn[n-]n1	ZINC001362760455	918599115	/nfs/dbraw/zinc/59/91/15/918599115.db2.gz	LYWOAIVPJSKCBC-BQBZGAKWSA-N	-1	1	302.316	-2.209	20	0		DAADMM
NS(=O)(=O)C1(C(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)CC1	ZINC001362901683	918636836	/nfs/dbraw/zinc/63/68/36/918636836.db2.gz	CQAXLFPCHCOQTI-QMMMGPOBSA-N	-1	1	314.371	-1.198	20	0		DAADMM
COC[C@H](NC(=O)C1CN(S(C)(=O)=O)C1)c1nn[n-]n1	ZINC001362901099	918637872	/nfs/dbraw/zinc/63/78/72/918637872.db2.gz	QCGBSBOGQWGDPP-ZETCQYMHSA-N	-1	1	304.332	-2.105	20	0		DAADMM
O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H](Cc2nn[n-]n2)C1	ZINC001362908317	918641295	/nfs/dbraw/zinc/64/12/95/918641295.db2.gz	SPEUYZSGLRZWBI-SECBINFHSA-N	-1	1	319.325	-1.057	20	0		DAADMM
O=C([C@@H]1CC(=O)NC(=O)N1)N1CCSC[C@H]1c1nn[n-]n1	ZINC001362969421	918656237	/nfs/dbraw/zinc/65/62/37/918656237.db2.gz	HJNSNGUPLPJOHG-WDSKDSINSA-N	-1	1	311.327	-1.586	20	0		DAADMM
O=C([C@@H]1CC(=O)NC(=O)N1)N1CCSC[C@@H]1c1nn[n-]n1	ZINC001362969418	918657894	/nfs/dbraw/zinc/65/78/94/918657894.db2.gz	HJNSNGUPLPJOHG-NTSWFWBYSA-N	-1	1	311.327	-1.586	20	0		DAADMM
O=C(CN1CSCC1=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001363031358	918673017	/nfs/dbraw/zinc/67/30/17/918673017.db2.gz	XTJJEZVLGAIRLY-UHFFFAOYSA-N	-1	1	312.355	-1.457	20	0		DAADMM
CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CCCc1nn[n-]n1	ZINC001363047029	918676036	/nfs/dbraw/zinc/67/60/36/918676036.db2.gz	IRVQZWOFBGOTTJ-SFYZADRCSA-N	-1	1	303.344	-1.549	20	0		DAADMM
CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCCc1nn[n-]n1	ZINC001363047031	918677910	/nfs/dbraw/zinc/67/79/10/918677910.db2.gz	IRVQZWOFBGOTTJ-YUMQZZPRSA-N	-1	1	303.344	-1.549	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N1CC2(C1)CNC(=O)O2	ZINC001363089448	918690525	/nfs/dbraw/zinc/69/05/25/918690525.db2.gz	CZVHSVSFGCWWBV-UHFFFAOYSA-N	-1	1	306.278	-1.162	20	0		DAADMM
O=C(c1n[nH]c(=O)[n-]1)N1CCC(O)(CN2CCOCC2)CC1	ZINC001363114449	918697078	/nfs/dbraw/zinc/69/70/78/918697078.db2.gz	UNHWJDMHUMVMRG-UHFFFAOYSA-N	-1	1	311.342	-1.190	20	0		DAADMM
CNS(=O)(=O)CC(=O)N[C@H](c1nn[n-]n1)c1ccccc1	ZINC001363168034	918712160	/nfs/dbraw/zinc/71/21/60/918712160.db2.gz	XMTJBAYNDRWTNE-JTQLQIEISA-N	-1	1	310.339	-1.046	20	0		DAADMM
Nc1ncn(CC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)n1	ZINC001363212193	918725225	/nfs/dbraw/zinc/72/52/25/918725225.db2.gz	YUYRCNYGXXZAFY-UHFFFAOYSA-N	-1	1	306.248	-1.003	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC(O)(c2ccnn2C)C1	ZINC001363232410	918730701	/nfs/dbraw/zinc/73/07/01/918730701.db2.gz	YYNHKXYVFCNJKR-UHFFFAOYSA-N	-1	1	321.293	-1.027	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](CO)[C@H](O)C2)o1	ZINC001363251663	918735645	/nfs/dbraw/zinc/73/56/45/918735645.db2.gz	VOTCKBFTHGLJAA-HTQZYQBOSA-N	-1	1	304.324	-1.387	20	0		DAADMM
NC(=O)C1(NC(=O)c2ncccc2[O-])CCS(=O)(=O)CC1	ZINC001363265330	918739237	/nfs/dbraw/zinc/73/92/37/918739237.db2.gz	AGKPAJUVDUJTQB-UHFFFAOYSA-N	-1	1	313.335	-1.050	20	0		DAADMM
Cn1[n-]c(CN2CCS(=O)(=NS(C)(=O)=O)CC2)nc1=O	ZINC001363258128	918740713	/nfs/dbraw/zinc/74/07/13/918740713.db2.gz	WMJAQLCVFZFYBZ-UHFFFAOYSA-N	-1	1	323.400	-1.648	20	0		DAADMM
COC(=O)C[C@H]1CS(=O)(=O)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001363293175	918751781	/nfs/dbraw/zinc/75/17/81/918751781.db2.gz	KCBVHLHPPKNIPO-QMMMGPOBSA-N	-1	1	318.355	-1.730	20	0		DAADMM
COC(=O)[C@]1(O)CCN(C(=O)CNC(=O)c2ncccc2[O-])C1	ZINC001363323122	918760472	/nfs/dbraw/zinc/76/04/72/918760472.db2.gz	PFYDQDDGYHYHMY-AWEZNQCLSA-N	-1	1	323.305	-1.347	20	0		DAADMM
CC(C)CN(Cc1nn[n-]n1)C(=O)[C@@H]1CCS(=O)(=O)N1	ZINC001363357538	918767169	/nfs/dbraw/zinc/76/71/69/918767169.db2.gz	SJYWJPMQQLMQOT-QMMMGPOBSA-N	-1	1	302.360	-1.124	20	0		DAADMM
COC[C@H](NC(=O)C1CC2(C1)CS(=O)(=O)C2)c1nn[n-]n1	ZINC001363433207	918784501	/nfs/dbraw/zinc/78/45/01/918784501.db2.gz	JQEJSZFNROKIBM-QMMMGPOBSA-N	-1	1	315.355	-1.172	20	0		DAADMM
CCN(CC)S(=O)(=O)CC(=O)N[C@@H](COC)c1nn[n-]n1	ZINC001363439734	918788353	/nfs/dbraw/zinc/78/83/53/918788353.db2.gz	XHTXIILRCXXVRB-QMMMGPOBSA-N	-1	1	320.375	-1.325	20	0		DAADMM
COC(=O)C[C@H](O)CNC(=O)CNC(=O)c1ncccc1[O-]	ZINC001363508316	918807808	/nfs/dbraw/zinc/80/78/08/918807808.db2.gz	ONBNJHKQOWXZBG-QMMMGPOBSA-N	-1	1	311.294	-1.443	20	0		DAADMM
CN(C(=O)CNC(=O)c1ncccc1[O-])C1CS(=O)(=O)C1	ZINC001363502401	918808244	/nfs/dbraw/zinc/80/82/44/918808244.db2.gz	RFNSIVUEQQQLPF-UHFFFAOYSA-N	-1	1	313.335	-1.228	20	0		DAADMM
C[C@H](NS(C)(=O)=O)C(=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001363510472	918809977	/nfs/dbraw/zinc/80/99/77/918809977.db2.gz	FONKUMMFXAEBCB-BQBZGAKWSA-N	-1	1	304.332	-1.963	20	0		DAADMM
CN(C)S(=O)(=O)CCC(=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001363509755	918810104	/nfs/dbraw/zinc/81/01/04/918810104.db2.gz	BGLGRGKOXHHKPB-QMMMGPOBSA-N	-1	1	318.359	-1.619	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCCN2CCNC2=O)o1	ZINC001363515333	918810605	/nfs/dbraw/zinc/81/06/05/918810605.db2.gz	SRKGOHWPNPEQTA-UHFFFAOYSA-N	-1	1	316.339	-1.057	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCn1cnccc1=O	ZINC001363522308	918812330	/nfs/dbraw/zinc/81/23/30/918812330.db2.gz	CGSHIPMBZIZICP-UHFFFAOYSA-N	-1	1	307.266	-1.117	20	0		DAADMM
COC1(C(=O)N2CC[C@H](c3nn[n-]n3)C2)CS(=O)(=O)C1	ZINC001363528900	918819957	/nfs/dbraw/zinc/81/99/57/918819957.db2.gz	UWSHUOXTMWUDER-ZETCQYMHSA-N	-1	1	301.328	-1.671	20	0		DAADMM
CC(C)CN(Cc1nn[n-]n1)C(=O)CN1CCN(C)C(=O)C1	ZINC001363545561	918824564	/nfs/dbraw/zinc/82/45/64/918824564.db2.gz	PUYPOEKXKMEFNJ-UHFFFAOYSA-N	-1	1	309.374	-1.042	20	0		DAADMM
O=C(CCCc1nn[n-]n1)N[C@H]1C(=O)NCC12CCOCC2	ZINC001363568240	918830440	/nfs/dbraw/zinc/83/04/40/918830440.db2.gz	QTNPZLWAYOFIOZ-NSHDSACASA-N	-1	1	308.342	-1.066	20	0		DAADMM
NS(=O)(=O)NC1CCN(C(=O)c2cnncc2[O-])CC1	ZINC001363561220	918831520	/nfs/dbraw/zinc/83/15/20/918831520.db2.gz	XTTMIDVDXGHVPG-UHFFFAOYSA-N	-1	1	301.328	-1.420	20	0		DAADMM
CS(=O)(=O)NC[C@H]1COCCN1C(=O)CCc1nn[n-]n1	ZINC001363571724	918833345	/nfs/dbraw/zinc/83/33/45/918833345.db2.gz	CGVGJFXMCOJOHE-QMMMGPOBSA-N	-1	1	318.359	-2.091	20	0		DAADMM
O=C(CCc1nn[n-]n1)N1CCS(=O)(=O)C[C@H]1CCO	ZINC001363582301	918835680	/nfs/dbraw/zinc/83/56/80/918835680.db2.gz	WEPFEWVZPUYYLN-MRVPVSSYSA-N	-1	1	303.344	-1.860	20	0		DAADMM
COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CCc1nn[n-]n1	ZINC001363665711	918855110	/nfs/dbraw/zinc/85/51/10/918855110.db2.gz	VZGICAMVWVELFH-SSDOTTSWSA-N	-1	1	317.327	-2.069	20	0		DAADMM
CS(=O)(=O)c1n[n-]c(NC(=O)C[C@@H]2CCS(=O)(=O)C2)n1	ZINC001363703506	918861688	/nfs/dbraw/zinc/86/16/88/918861688.db2.gz	DHSZJFSSQSYBCO-LURJTMIESA-N	-1	1	322.368	-1.029	20	0		DAADMM
CS(=O)(=O)c1nnc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)[n-]1	ZINC001363703506	918861703	/nfs/dbraw/zinc/86/17/03/918861703.db2.gz	DHSZJFSSQSYBCO-LURJTMIESA-N	-1	1	322.368	-1.029	20	0		DAADMM
CS(=O)(=O)c1n[n-]c(NC(=O)C2CN([C@@H]3CCOC3)C2)n1	ZINC001363702442	918862461	/nfs/dbraw/zinc/86/24/61/918862461.db2.gz	COBKWILAOFIMAG-MRVPVSSYSA-N	-1	1	315.355	-1.133	20	0		DAADMM
CS(=O)(=O)c1nnc(NC(=O)C2CN([C@@H]3CCOC3)C2)[n-]1	ZINC001363702442	918862474	/nfs/dbraw/zinc/86/24/74/918862474.db2.gz	COBKWILAOFIMAG-MRVPVSSYSA-N	-1	1	315.355	-1.133	20	0		DAADMM
O=C(c1cnn(C[C@@H](O)CO)c1)N1CC[C@H](c2nn[n-]n2)C1	ZINC001363716783	918863554	/nfs/dbraw/zinc/86/35/54/918863554.db2.gz	GRYQRWQCXWXZMH-WCBMZHEXSA-N	-1	1	307.314	-1.621	20	0		DAADMM
O=C(c1cnn(C[C@H](O)CO)c1)N1CC[C@H](c2nn[n-]n2)C1	ZINC001363716787	918863769	/nfs/dbraw/zinc/86/37/69/918863769.db2.gz	GRYQRWQCXWXZMH-WPRPVWTQSA-N	-1	1	307.314	-1.621	20	0		DAADMM
O=C(c1cnn(C[C@@H](O)CO)c1)N1CC[C@@H](c2nn[n-]n2)C1	ZINC001363716758	918864662	/nfs/dbraw/zinc/86/46/62/918864662.db2.gz	GRYQRWQCXWXZMH-PSASIEDQSA-N	-1	1	307.314	-1.621	20	0		DAADMM
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](c2nn[n-]n2)C1	ZINC001363719985	918865286	/nfs/dbraw/zinc/86/52/86/918865286.db2.gz	KHTSGYCMDLYXLS-DTWKUNHWSA-N	-1	1	314.371	-1.060	20	0		DAADMM
CS(=O)(=O)C[C@H]1CN(C(=O)CCCc2nn[n-]n2)CCO1	ZINC001363744067	918870308	/nfs/dbraw/zinc/87/03/08/918870308.db2.gz	RPPOZZIVHVQMGD-SECBINFHSA-N	-1	1	317.371	-1.206	20	0		DAADMM
C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1nnnn1C	ZINC001363851945	918898510	/nfs/dbraw/zinc/89/85/10/918898510.db2.gz	VKHKJTORGVIUJG-SSDOTTSWSA-N	-1	1	305.298	-1.082	20	0		DAADMM
Cn1ccc(NC(=O)C[N-]S(=O)(=O)[C@@H]2COC[C@H]2O)n1	ZINC001363877815	918900530	/nfs/dbraw/zinc/90/05/30/918900530.db2.gz	WVQBZYRSHCPKEX-HTQZYQBOSA-N	-1	1	304.328	-1.962	20	0		DAADMM
COC(=O)[C@H]1CN(C(=O)CCc2nn[n-]n2)C[C@H]1C(=O)OC	ZINC001363923160	918906205	/nfs/dbraw/zinc/90/62/05/918906205.db2.gz	YOLYCBYKEWJGRB-OCAPTIKFSA-N	-1	1	311.298	-1.447	20	0		DAADMM
COC(=O)[C@@H]1CN(C(=O)CCc2nn[n-]n2)C[C@H]1C(=O)OC	ZINC001363923158	918907014	/nfs/dbraw/zinc/90/70/14/918907014.db2.gz	YOLYCBYKEWJGRB-HTQZYQBOSA-N	-1	1	311.298	-1.447	20	0		DAADMM
COC(=O)[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C1CC1	ZINC001363947773	918910523	/nfs/dbraw/zinc/91/05/23/918910523.db2.gz	OVPPGESEVGTPJX-QMMMGPOBSA-N	-1	1	317.323	-1.284	20	0		DAADMM
CCN(CC(=O)NC)S(=O)(=O)c1cc(C(=O)OC)n[n-]1	ZINC001363960340	918912801	/nfs/dbraw/zinc/91/28/01/918912801.db2.gz	ZUCXJOMKDWKITA-UHFFFAOYSA-N	-1	1	304.328	-1.047	20	0		DAADMM
CCN(CC(=O)NC)S(=O)(=O)c1cc(C(=O)OC)[n-]n1	ZINC001363960340	918912821	/nfs/dbraw/zinc/91/28/21/918912821.db2.gz	ZUCXJOMKDWKITA-UHFFFAOYSA-N	-1	1	304.328	-1.047	20	0		DAADMM
NC(=O)Cn1cc(CN2CC(C[N-]C(=O)C(F)(F)F)C2)nn1	ZINC001363950597	918913659	/nfs/dbraw/zinc/91/36/59/918913659.db2.gz	VTSUDZAVJKOLFN-UHFFFAOYSA-N	-1	1	320.275	-1.126	20	0		DAADMM
CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F	ZINC001363968062	918916385	/nfs/dbraw/zinc/91/63/85/918916385.db2.gz	PYJJYZIXYKMEED-SCSAIBSYSA-N	-1	1	316.261	-1.186	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2C[C@@H](O)C2(C)C)c(=O)[nH]c1=O	ZINC001363988374	918922388	/nfs/dbraw/zinc/92/23/88/918922388.db2.gz	MQUUAGMEMVBNBV-JGVFFNPUSA-N	-1	1	303.340	-1.076	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CC(S(C)(=O)=O)C2)[n-]n1	ZINC001364003894	918925486	/nfs/dbraw/zinc/92/54/86/918925486.db2.gz	MXOCQTNJAPJOGY-UHFFFAOYSA-N	-1	1	323.352	-1.386	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CC(S(C)(=O)=O)C2)n[n-]1	ZINC001364003894	918925497	/nfs/dbraw/zinc/92/54/97/918925497.db2.gz	MXOCQTNJAPJOGY-UHFFFAOYSA-N	-1	1	323.352	-1.386	20	0		DAADMM
CCNC(=O)C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)OC	ZINC001364003322	918926652	/nfs/dbraw/zinc/92/66/52/918926652.db2.gz	YDNLJHUZOOLDPL-UHFFFAOYSA-N	-1	1	304.328	-1.081	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2O)c(=O)[nH]c1=O	ZINC001364004847	918926789	/nfs/dbraw/zinc/92/67/89/918926789.db2.gz	NCMBIKYUAOPVTE-JGVFFNPUSA-N	-1	1	303.340	-1.075	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(N)=O)[n-]n1	ZINC001364014038	918929149	/nfs/dbraw/zinc/92/91/49/918929149.db2.gz	WRJPBVPTNOLCFN-ZETCQYMHSA-N	-1	1	302.312	-1.165	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(N)=O)n[n-]1	ZINC001364014038	918929170	/nfs/dbraw/zinc/92/91/70/918929170.db2.gz	WRJPBVPTNOLCFN-ZETCQYMHSA-N	-1	1	302.312	-1.165	20	0		DAADMM
O=S(=O)([N-][C@@H]1CS(=O)(=O)C[C@H]1O)c1c[nH]nc1Cl	ZINC001364037079	918935058	/nfs/dbraw/zinc/93/50/58/918935058.db2.gz	VMSPAHOFSOLXIY-RFZPGFLSSA-N	-1	1	315.760	-1.501	20	0		DAADMM
C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1O	ZINC001364050173	918937082	/nfs/dbraw/zinc/93/70/82/918937082.db2.gz	FFLALLPBXIHXPF-XLPZGREQSA-N	-1	1	314.385	-2.460	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCCN2CCNC2=O)[n-]n1	ZINC001364082110	918946947	/nfs/dbraw/zinc/94/69/47/918946947.db2.gz	UNJQPYCMDSOUHO-UHFFFAOYSA-N	-1	1	317.327	-1.500	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCCN2CCNC2=O)n[n-]1	ZINC001364082110	918946957	/nfs/dbraw/zinc/94/69/57/918946957.db2.gz	UNJQPYCMDSOUHO-UHFFFAOYSA-N	-1	1	317.327	-1.500	20	0		DAADMM
O=C(c1cnncc1[O-])N1CCS(=O)(=O)C[C@@H]1CCO	ZINC001364179789	918959163	/nfs/dbraw/zinc/95/91/63/918959163.db2.gz	FOIPKLMTDHEXIR-QMMMGPOBSA-N	-1	1	301.324	-1.196	20	0		DAADMM
CN(C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1nn[n-]n1	ZINC001364199325	918961412	/nfs/dbraw/zinc/96/14/12/918961412.db2.gz	QRUUSQYRRRCGNQ-QMMMGPOBSA-N	-1	1	309.311	-1.107	20	0		DAADMM
CCS(=O)(=O)N1CCN(C(=O)CCc2nn[n-]n2)CC1	ZINC001364372200	919000972	/nfs/dbraw/zinc/00/09/72/919000972.db2.gz	HIWJFJUISATACQ-UHFFFAOYSA-N	-1	1	302.360	-1.374	20	0		DAADMM
O=C(CN1CCCS1(=O)=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001364383666	919005893	/nfs/dbraw/zinc/00/58/93/919005893.db2.gz	QWSODYWLUICVKR-QMMMGPOBSA-N	-1	1	316.343	-1.865	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@@]3(CCS(=O)(=O)C3)C2)nc1=O	ZINC001364439750	919012162	/nfs/dbraw/zinc/01/21/62/919012162.db2.gz	NCPQIKJZXYMSAB-NSHDSACASA-N	-1	1	302.356	-1.502	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N1C[C@H](CO)[C@H](CCO)C1	ZINC001364453295	919016432	/nfs/dbraw/zinc/01/64/32/919016432.db2.gz	NRKQOYNQDMCHDW-GHMZBOCLSA-N	-1	1	323.349	-1.034	20	0		DAADMM
CNC(=O)CN(CC(=O)NC)Cc1nc2c(c(=O)[n-]1)COCC2	ZINC001364498847	919021571	/nfs/dbraw/zinc/02/15/71/919021571.db2.gz	HCTAKUFTLMSWJX-UHFFFAOYSA-N	-1	1	323.353	-1.451	20	0		DAADMM
CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@@H](c2nn[n-]n2)C1	ZINC001364566316	919034572	/nfs/dbraw/zinc/03/45/72/919034572.db2.gz	BSAQFBSQSPGLKN-SSDOTTSWSA-N	-1	1	302.360	-1.157	20	0		DAADMM
COC[C@](C)(O)C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001364782633	919065800	/nfs/dbraw/zinc/06/58/00/919065800.db2.gz	QQWNECLITDCYLB-SNVBAGLBSA-N	-1	1	307.328	-1.838	20	0		DAADMM
CC(C)OC(=O)C[N-]S(=O)(=O)CCS(=O)(=O)N(C)C	ZINC001364801524	919070768	/nfs/dbraw/zinc/07/07/68/919070768.db2.gz	URQQKBBVIJSGFD-UHFFFAOYSA-N	-1	1	316.401	-1.251	20	0		DAADMM
CCC[C@H](C(=O)OCC)S(=O)(=O)[N-][C@H](CO)C(=O)NC	ZINC001364812321	919070888	/nfs/dbraw/zinc/07/08/88/919070888.db2.gz	DBBOYNKGXZDGIZ-RKDXNWHRSA-N	-1	1	310.372	-1.256	20	0		DAADMM
COCCN1C[C@H](C(=O)N[C@@H](COC)c2nn[n-]n2)CC1=O	ZINC001364816523	919072940	/nfs/dbraw/zinc/07/29/40/919072940.db2.gz	WISAOSFKQQLZQD-BDAKNGLRSA-N	-1	1	312.330	-1.502	20	0		DAADMM
COC[C@H](NC(=O)CCS(=O)(=O)N(C)C)c1nn[n-]n1	ZINC001364816968	919073345	/nfs/dbraw/zinc/07/33/45/919073345.db2.gz	YBRMGFMALYLARB-ZETCQYMHSA-N	-1	1	306.348	-1.715	20	0		DAADMM
CNC(=O)[C@H](O)C[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F	ZINC001364822933	919073462	/nfs/dbraw/zinc/07/34/62/919073462.db2.gz	QHWODMVNUXOAMX-SCSAIBSYSA-N	-1	1	316.261	-1.186	20	0		DAADMM
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@]1(O)CCOC1	ZINC001364827999	919076724	/nfs/dbraw/zinc/07/67/24/919076724.db2.gz	KHSADRDDZSSMSQ-WNWIJWBNSA-N	-1	1	301.390	-1.453	20	0		DAADMM
C[C@@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001364827324	919077712	/nfs/dbraw/zinc/07/77/12/919077712.db2.gz	NHAXWEGMOJCUCJ-SVRRBLITSA-N	-1	1	316.339	-1.711	20	0		DAADMM
COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)N(C)C1CCOCC1	ZINC001364885036	919090819	/nfs/dbraw/zinc/09/08/19/919090819.db2.gz	QWJYTYRXEJZHGB-LLVKDONJSA-N	-1	1	310.372	-1.144	20	0		DAADMM
COC(=O)[C@](C)(CO)[N-]S(=O)(=O)N(C)C1CCOCC1	ZINC001364885039	919091981	/nfs/dbraw/zinc/09/19/81/919091981.db2.gz	QWJYTYRXEJZHGB-NSHDSACASA-N	-1	1	310.372	-1.144	20	0		DAADMM
COC(=O)[C@@H]([N-]S(=O)(=O)N(C)C1CCOCC1)[C@@H](C)O	ZINC001364916096	919096365	/nfs/dbraw/zinc/09/63/65/919096365.db2.gz	DZHZEJYSDBBUJE-SCZZXKLOSA-N	-1	1	310.372	-1.146	20	0		DAADMM
COC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001364939205	919103411	/nfs/dbraw/zinc/10/34/11/919103411.db2.gz	MFRXIARCZOCZNJ-UWVGGRQHSA-N	-1	1	323.353	-1.438	20	0		DAADMM
CC[C@@H]([N-]S(=O)(=O)CCS(=O)(=O)N(C)C)C(=O)OC	ZINC001365132275	919127733	/nfs/dbraw/zinc/12/77/33/919127733.db2.gz	STLPUUQFCNYAJL-MRVPVSSYSA-N	-1	1	316.401	-1.251	20	0		DAADMM
NC(=O)CN1CCN(Cc2nc3c(c(=O)[n-]2)COCC3)CC1=O	ZINC001365308508	919155759	/nfs/dbraw/zinc/15/57/59/919155759.db2.gz	BWRKJPRAKHSDEJ-UHFFFAOYSA-N	-1	1	321.337	-1.616	20	0		DAADMM
COC[C@@H]([N-]S(=O)(=O)CCS(=O)(=O)N(C)C)C(N)=O	ZINC001365371196	919166425	/nfs/dbraw/zinc/16/64/25/919166425.db2.gz	AMXJAVXSZNKZRC-SSDOTTSWSA-N	-1	1	317.389	-2.703	20	0		DAADMM
NC(=O)[C@H](CO)[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F	ZINC001365396801	919176485	/nfs/dbraw/zinc/17/64/85/919176485.db2.gz	CDGCTGLNACQTSV-VKHMYHEASA-N	-1	1	302.234	-1.447	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1COC[C@H]1OC	ZINC001365414498	919179206	/nfs/dbraw/zinc/17/92/06/919179206.db2.gz	DTMPIPLKTPSKRW-JGVFFNPUSA-N	-1	1	305.312	-1.112	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(C)C2CS(=O)(=O)C2)[n-]n1	ZINC001365465456	919192106	/nfs/dbraw/zinc/19/21/06/919192106.db2.gz	NQTPCOSCMIJNKG-UHFFFAOYSA-N	-1	1	323.352	-1.386	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(C)C2CS(=O)(=O)C2)n[n-]1	ZINC001365465456	919192115	/nfs/dbraw/zinc/19/21/15/919192115.db2.gz	NQTPCOSCMIJNKG-UHFFFAOYSA-N	-1	1	323.352	-1.386	20	0		DAADMM
COC(=O)[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(C)C	ZINC001365464081	919192961	/nfs/dbraw/zinc/19/29/61/919192961.db2.gz	YNUXRLIUJNJTEW-MRVPVSSYSA-N	-1	1	319.339	-1.038	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)Cn3cnnn3)CC2)nc1=O	ZINC001365622366	919205380	/nfs/dbraw/zinc/20/53/80/919205380.db2.gz	QOTNWGXBWILCPW-UHFFFAOYSA-N	-1	1	307.318	-2.561	20	0		DAADMM
C[C@@H](Cn1cncn1)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001365643846	919206299	/nfs/dbraw/zinc/20/62/99/919206299.db2.gz	DUJUMNOZXABMDS-ZETCQYMHSA-N	-1	1	314.327	-1.556	20	0		DAADMM
COC[C@](C)(O)C[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C	ZINC001365661122	919213237	/nfs/dbraw/zinc/21/32/37/919213237.db2.gz	YQRFSZCUDLHNFB-RBHXEPJQSA-N	-1	1	303.406	-1.207	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC2(C)OCCO2)c(=O)[nH]c1=O	ZINC001365683215	919217127	/nfs/dbraw/zinc/21/71/27/919217127.db2.gz	PZMBFSAKYJGIMT-UHFFFAOYSA-N	-1	1	305.312	-1.473	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC2OCCCO2)c(=O)[nH]c1=O	ZINC001365701510	919219826	/nfs/dbraw/zinc/21/98/26/919219826.db2.gz	SFCXDTROLGZLLT-UHFFFAOYSA-N	-1	1	305.312	-1.473	20	0		DAADMM
CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC	ZINC001365707141	919223638	/nfs/dbraw/zinc/22/36/38/919223638.db2.gz	PJDIFDVSOUDLOK-LURJTMIESA-N	-1	1	304.328	-1.001	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2O)c(=O)[nH]c1=O	ZINC001365712001	919224561	/nfs/dbraw/zinc/22/45/61/919224561.db2.gz	NCMBIKYUAOPVTE-SFYZADRCSA-N	-1	1	303.340	-1.075	20	0		DAADMM
CCN1C[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)CC1=O	ZINC001365708743	919224731	/nfs/dbraw/zinc/22/47/31/919224731.db2.gz	YAYRKRGZMTTZHZ-SSDOTTSWSA-N	-1	1	316.339	-1.615	20	0		DAADMM
COC[C@@H](CS(=O)(=O)[N-]Cc1nc(C(N)=O)co1)OC	ZINC001365720793	919226676	/nfs/dbraw/zinc/22/66/76/919226676.db2.gz	CSXQPHMVHRJMLM-ZETCQYMHSA-N	-1	1	307.328	-1.146	20	0		DAADMM
CCN1CC[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)C1=O	ZINC001365725342	919227485	/nfs/dbraw/zinc/22/74/85/919227485.db2.gz	ITEBILGZBMBYON-ZETCQYMHSA-N	-1	1	316.339	-1.615	20	0		DAADMM
COCC(COC)S(=O)(=O)[N-][C@H](CO)c1nncn1C	ZINC001365734884	919228329	/nfs/dbraw/zinc/22/83/29/919228329.db2.gz	SXDVDFSFFDPNSI-SECBINFHSA-N	-1	1	308.360	-1.571	20	0		DAADMM
Cn1nnc([N-]S(=O)(=O)CCCN2CCN(C)CC2)n1	ZINC001365733757	919229912	/nfs/dbraw/zinc/22/99/12/919229912.db2.gz	BVZIFYLSLMHXRG-UHFFFAOYSA-N	-1	1	303.392	-1.411	20	0		DAADMM
COC(=O)[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)[C@@H]1COC[C@H]1O	ZINC001365735276	919230983	/nfs/dbraw/zinc/23/09/83/919230983.db2.gz	NQRVQUPUTOMDQF-LNFKQOIKSA-N	-1	1	323.367	-1.224	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC[C@@H](O)C2CC2)c(=O)n(C)c1=O	ZINC001365747380	919234762	/nfs/dbraw/zinc/23/47/62/919234762.db2.gz	QIACDOJNHVZKMQ-SECBINFHSA-N	-1	1	317.367	-1.477	20	0		DAADMM
O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@@H]1CCCN(CCO)C1	ZINC001365932971	919247485	/nfs/dbraw/zinc/24/74/85/919247485.db2.gz	MJBMZWDDXOTPEK-SECBINFHSA-N	-1	1	311.342	-1.212	20	0		DAADMM
CC(=O)NCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C	ZINC001365906465	919247707	/nfs/dbraw/zinc/24/77/07/919247707.db2.gz	QNLPOYRTHRLNAO-SCZZXKLOSA-N	-1	1	310.358	-1.677	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001365938674	919252607	/nfs/dbraw/zinc/25/26/07/919252607.db2.gz	OKMHVNHMEVITTI-MWLCHTKSSA-N	-1	1	324.385	-1.286	20	0		DAADMM
O=C(CCc1nc[nH]n1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001365968007	919259664	/nfs/dbraw/zinc/25/96/64/919259664.db2.gz	BPZHFSTVYKFTAL-MRVPVSSYSA-N	-1	1	306.330	-1.048	20	0		DAADMM
CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001365997144	919266146	/nfs/dbraw/zinc/26/61/46/919266146.db2.gz	SESLWRPOWRBZTE-SNVBAGLBSA-N	-1	1	324.385	-1.286	20	0		DAADMM
C[C@@H](C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1)n1cncn1	ZINC001366525431	919339867	/nfs/dbraw/zinc/33/98/67/919339867.db2.gz	HLDKOUSGCOAKJI-VIFPVBQESA-N	-1	1	308.346	-1.491	20	0		DAADMM
CCN1C[C@H](C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)CC1=O	ZINC001366538974	919341123	/nfs/dbraw/zinc/34/11/23/919341123.db2.gz	SVFJKWCSYVRBSY-SNVBAGLBSA-N	-1	1	324.385	-1.475	20	0		DAADMM
CCn1nc(C)c(C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)n1	ZINC001366598551	919351401	/nfs/dbraw/zinc/35/14/01/919351401.db2.gz	FVEJMRVAMWXLFP-UHFFFAOYSA-N	-1	1	322.373	-1.110	20	0		DAADMM
CCN(CCNC(=O)[C@@H]1CCC(=O)N1C)Cc1nc(=O)n(C)[n-]1	ZINC001366627690	919358295	/nfs/dbraw/zinc/35/82/95/919358295.db2.gz	LNPKSCAAKIWKQC-JTQLQIEISA-N	-1	1	324.385	-1.333	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CCS(C)(=O)=O)C2)nc1=O	ZINC001366921863	919397730	/nfs/dbraw/zinc/39/77/30/919397730.db2.gz	CIANWBUULPIGFV-UHFFFAOYSA-N	-1	1	317.371	-2.157	20	0		DAADMM
CNC(=O)NC(=O)CN1CC(CNC(=O)c2ncccc2[O-])C1	ZINC001366963719	919411438	/nfs/dbraw/zinc/41/14/38/919411438.db2.gz	XGTOOGKYQIEYCB-UHFFFAOYSA-N	-1	1	321.337	-1.096	20	0		DAADMM
CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[n-]1	ZINC001366996289	919418830	/nfs/dbraw/zinc/41/88/30/919418830.db2.gz	DJFVFAWDJKGBIO-IUCAKERBSA-N	-1	1	323.357	-2.178	20	0		DAADMM
NC(=O)NC(=O)CN1CC[C@@H](NC(=O)c2ncccc2[O-])C1	ZINC001367026581	919425001	/nfs/dbraw/zinc/42/50/01/919425001.db2.gz	MGTDLCCQXBRLDJ-MRVPVSSYSA-N	-1	1	307.310	-1.214	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N(C)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001367048577	919430093	/nfs/dbraw/zinc/43/00/93/919430093.db2.gz	HENTYZFGGICJMN-NXEZZACHSA-N	-1	1	324.385	-1.347	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)N(C)CCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001367498350	919469354	/nfs/dbraw/zinc/46/93/54/919469354.db2.gz	HTTRTACPJCWHSW-SECBINFHSA-N	-1	1	312.374	-1.477	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)CCn1cnnn1	ZINC001367843965	919579277	/nfs/dbraw/zinc/57/92/77/919579277.db2.gz	QSCGARZGVHAGFN-SECBINFHSA-N	-1	1	323.361	-1.878	20	0		DAADMM
COC[C@@H](OC)C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001368081916	919615624	/nfs/dbraw/zinc/61/56/24/919615624.db2.gz	HBTAIGFMZLCKAI-SNVBAGLBSA-N	-1	1	313.358	-1.588	20	0		DAADMM
C[C@@H](CNC(=O)c1nnn(C)n1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001368989515	919795094	/nfs/dbraw/zinc/79/50/94/919795094.db2.gz	ZFWBKPGPURRVSD-ZETCQYMHSA-N	-1	1	309.334	-2.118	20	0		DAADMM
C[C@H](CNC(=O)c1nnn(C)n1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001368989491	919795299	/nfs/dbraw/zinc/79/52/99/919795299.db2.gz	ZFWBKPGPURRVSD-SSDOTTSWSA-N	-1	1	309.334	-2.118	20	0		DAADMM
Cc1nonc1CC(=O)NC[C@H](C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001369006974	919795675	/nfs/dbraw/zinc/79/56/75/919795675.db2.gz	PAIODMTUKWIENY-QMMMGPOBSA-N	-1	1	323.357	-1.021	20	0		DAADMM
Cc1ocnc1C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001369308504	919841989	/nfs/dbraw/zinc/84/19/89/919841989.db2.gz	NLAMCVIMMCAALZ-MRVPVSSYSA-N	-1	1	310.314	-1.715	20	0		DAADMM
CS[C@@H](C)CC(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001369325143	919856117	/nfs/dbraw/zinc/85/61/17/919856117.db2.gz	TYOBDSJLLSOXQE-DTWKUNHWSA-N	-1	1	317.415	-1.183	20	0		DAADMM
CCn1nccc1C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001369323525	919857697	/nfs/dbraw/zinc/85/76/97/919857697.db2.gz	KPHBWZYHGZPERA-VIFPVBQESA-N	-1	1	323.357	-1.795	20	0		DAADMM
CCc1ocnc1C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001369325688	919862180	/nfs/dbraw/zinc/86/21/80/919862180.db2.gz	XTJVTNXZSHAXRQ-QMMMGPOBSA-N	-1	1	324.341	-1.461	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)CC(C)(F)F)nc1=O	ZINC001369352085	919890896	/nfs/dbraw/zinc/89/08/96/919890896.db2.gz	XEVMDHXNZZLLRC-ZETCQYMHSA-N	-1	1	307.301	-1.280	20	0		DAADMM
COCCN(CCNC(=O)c1cocn1)Cc1nc(=O)n(C)[n-]1	ZINC001369551325	919982531	/nfs/dbraw/zinc/98/25/31/919982531.db2.gz	HFXLOHPHOPNZER-UHFFFAOYSA-N	-1	1	324.341	-1.025	20	0		DAADMM
C[C@H](C(=O)N[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C1)S(C)(=O)=O	ZINC001370648152	920086166	/nfs/dbraw/zinc/08/61/66/920086166.db2.gz	INLLAKHLWNXMHH-PRJMDXOYSA-N	-1	1	317.371	-1.320	20	0		DAADMM
O=C(Cn1ccnc1)NC[C@H](CO)NC(=O)c1ncccc1[O-]	ZINC001370725982	920142265	/nfs/dbraw/zinc/14/22/65/920142265.db2.gz	OGMBURYBCHWWOO-SNVBAGLBSA-N	-1	1	319.321	-1.109	20	0		DAADMM
CN(CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)Cc1nc(=O)n(C)[n-]1	ZINC001372061117	920331831	/nfs/dbraw/zinc/33/18/31/920331831.db2.gz	WGMGBBWDIFKOKF-DTWKUNHWSA-N	-1	1	310.358	-1.832	20	0		DAADMM
CN(CCNC(=O)[C@H]1CCCC(=O)N1C)Cc1nc(=O)n(C)[n-]1	ZINC001372208015	920347499	/nfs/dbraw/zinc/34/74/99/920347499.db2.gz	ZWSZOQRMQFZMAC-SNVBAGLBSA-N	-1	1	324.385	-1.333	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1	ZINC001372491311	920376335	/nfs/dbraw/zinc/37/63/35/920376335.db2.gz	LWIAEUKOWKQEIB-GXSJLCMTSA-N	-1	1	324.385	-1.286	20	0		DAADMM
CCOCC(=O)NCCN(C)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001373351631	920479432	/nfs/dbraw/zinc/47/94/32/920479432.db2.gz	XSSFGLQTVQERGL-UHFFFAOYSA-N	-1	1	322.325	-1.358	20	0		DAADMM
CCNC(=O)CCCC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001373470109	920505704	/nfs/dbraw/zinc/50/57/04/920505704.db2.gz	WIRZVVGZBRODIK-UHFFFAOYSA-N	-1	1	324.385	-1.285	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001373581792	920527029	/nfs/dbraw/zinc/52/70/29/920527029.db2.gz	JFPLJQUCVWSZTI-SCZZXKLOSA-N	-1	1	310.358	-1.677	20	0		DAADMM
CC[C@@H](CNC(=O)CCS(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001373759665	920559566	/nfs/dbraw/zinc/55/95/66/920559566.db2.gz	FMDKSBWVMIHTEA-QMMMGPOBSA-N	-1	1	319.387	-1.071	20	0		DAADMM
Cc1nnc(CC(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)o1	ZINC001374284133	920599597	/nfs/dbraw/zinc/59/95/97/920599597.db2.gz	DFGBQOMZNYTDDS-UHFFFAOYSA-N	-1	1	321.341	-1.313	20	0		DAADMM
CN(CCN(C)C(=O)Cn1ccnc1)Cc1nc(=O)n(C)[n-]1	ZINC001374559615	920615039	/nfs/dbraw/zinc/61/50/39/920615039.db2.gz	LLFQMACQTMOQBP-UHFFFAOYSA-N	-1	1	307.358	-1.105	20	0		DAADMM
CN(CCN(C)C(=O)Cc1ncc[nH]1)Cc1nc(=O)n(C)[n-]1	ZINC001374546001	920615461	/nfs/dbraw/zinc/61/54/61/920615461.db2.gz	DKSZDQXORQXAES-UHFFFAOYSA-N	-1	1	307.358	-1.036	20	0		DAADMM
CCCS(=O)(=O)CC(=O)N[C@H](C)CNCc1n[nH]c(=O)[n-]1	ZINC001374845664	920720367	/nfs/dbraw/zinc/72/03/67/920720367.db2.gz	CORTVQRYRIYUCS-MRVPVSSYSA-N	-1	1	319.387	-1.071	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1cn[nH]c(=O)c1	ZINC001375053770	920742879	/nfs/dbraw/zinc/74/28/79/920742879.db2.gz	ZAIJDBWGWOQWPP-MRVPVSSYSA-N	-1	1	321.341	-1.146	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)CN2CCCC2=O)nc1=O	ZINC001375298230	920761310	/nfs/dbraw/zinc/76/13/10/920761310.db2.gz	YSACFTCKKKKGDQ-JTQLQIEISA-N	-1	1	322.369	-1.579	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)Cn2cnnn2)nc1=O	ZINC001375294093	920761389	/nfs/dbraw/zinc/76/13/89/920761389.db2.gz	MTMVDNLGQHMXCW-MRVPVSSYSA-N	-1	1	307.318	-2.514	20	0		DAADMM
Cn1ccc(CC(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)n1	ZINC001375309541	920763345	/nfs/dbraw/zinc/76/33/45/920763345.db2.gz	LMBDBTUNRKWEOS-NSHDSACASA-N	-1	1	319.369	-1.225	20	0		DAADMM
C[C@@H](O)CN1CC[C@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC001375318701	920766730	/nfs/dbraw/zinc/76/67/30/920766730.db2.gz	AWQUCUNRPSIBLH-BDAKNGLRSA-N	-1	1	311.342	-1.213	20	0		DAADMM
C[C@H](O)CN1CC[C@@H]1CNC(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC001375318702	920767867	/nfs/dbraw/zinc/76/78/67/920767867.db2.gz	AWQUCUNRPSIBLH-DTWKUNHWSA-N	-1	1	311.342	-1.213	20	0		DAADMM
O=C(CCc1c[nH]nn1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001375347170	920768422	/nfs/dbraw/zinc/76/84/22/920768422.db2.gz	XKNJEIFERGCVAF-VIFPVBQESA-N	-1	1	306.330	-1.048	20	0		DAADMM
O=C(CCc1cnn[nH]1)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001375347170	920768434	/nfs/dbraw/zinc/76/84/34/920768434.db2.gz	XKNJEIFERGCVAF-VIFPVBQESA-N	-1	1	306.330	-1.048	20	0		DAADMM
Cn1cncc1CC(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001375367331	920770493	/nfs/dbraw/zinc/77/04/93/920770493.db2.gz	WQIRLSOBMQXREZ-SNVBAGLBSA-N	-1	1	319.369	-1.225	20	0		DAADMM
CCC(=O)NCC(=O)N[C@@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001375821671	920810010	/nfs/dbraw/zinc/81/00/10/920810010.db2.gz	QKBRAJSJJUHWDU-AWEZNQCLSA-N	-1	1	324.385	-1.285	20	0		DAADMM
CS[C@@H](C)C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001376140393	920871121	/nfs/dbraw/zinc/87/11/21/920871121.db2.gz	MYEHDQWYIBYLTF-QMMMGPOBSA-N	-1	1	315.399	-1.477	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)[C@H]3CC3(C)C)C2)nc1=O	ZINC001376167900	920880583	/nfs/dbraw/zinc/88/05/83/920880583.db2.gz	OMWOXJJSRQSPIJ-SECBINFHSA-N	-1	1	309.370	-1.183	20	0		DAADMM
CNC(=O)[C@H](C)N1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001376167038	920882011	/nfs/dbraw/zinc/88/20/11/920882011.db2.gz	UBRQDMKGVXZSCK-VIFPVBQESA-N	-1	1	308.338	-1.302	20	0		DAADMM
CS(=O)(=O)CC(=O)NC[C@@H](NCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001376204276	920890652	/nfs/dbraw/zinc/89/06/52/920890652.db2.gz	RQROLROECQLORX-MRVPVSSYSA-N	-1	1	317.371	-1.461	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)[C@@H]3CC34CC4)C2)nc1=O	ZINC001376244343	920900904	/nfs/dbraw/zinc/90/09/04/920900904.db2.gz	YBCCFBJCVNIOQN-VIFPVBQESA-N	-1	1	307.354	-1.429	20	0		DAADMM
Cn1ncc(C(=O)NC[C@H](NCc2n[nH]c(=O)[n-]2)C2CC2)n1	ZINC001376259988	920906091	/nfs/dbraw/zinc/90/60/91/920906091.db2.gz	OVFMTUJMRRTEIH-QMMMGPOBSA-N	-1	1	306.330	-1.063	20	0		DAADMM
CCN1CCOC[C@H]1C(=O)NC[C@@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001376763599	921027890	/nfs/dbraw/zinc/02/78/90/921027890.db2.gz	VDCOUESPVPANMN-ZJUUUORDSA-N	-1	1	312.374	-1.175	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H]2CNC(=O)Cn2ncnn2)nc1=O	ZINC001377387943	921812051	/nfs/dbraw/zinc/81/20/51/921812051.db2.gz	ILOVUWOEDMQMIF-VIFPVBQESA-N	-1	1	321.345	-2.124	20	0		DAADMM
CC(=O)NCC(=O)NCCN(Cc1nc(=O)n(C)[n-]1)C1CC1	ZINC001377512188	921832216	/nfs/dbraw/zinc/83/22/16/921832216.db2.gz	OIQGNWUSFGYSPC-UHFFFAOYSA-N	-1	1	310.358	-1.675	20	0		DAADMM
Cc1noc(CCC(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001377903766	921878418	/nfs/dbraw/zinc/87/84/18/921878418.db2.gz	JDCFVMPIVXLZEI-UHFFFAOYSA-N	-1	1	321.341	-1.267	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)Cn3ccnc3)C2)nc1=O	ZINC001378028480	921902153	/nfs/dbraw/zinc/90/21/53/921902153.db2.gz	OSVYJVCETVHKDF-UHFFFAOYSA-N	-1	1	305.342	-1.447	20	0		DAADMM
CNC(=O)NCC(=O)NC[C@H](C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001378055029	921907914	/nfs/dbraw/zinc/90/79/14/921907914.db2.gz	PHTMYHSXTAPJRP-QMMMGPOBSA-N	-1	1	313.362	-2.026	20	0		DAADMM
C[C@@H](NC(=O)Cc1nnc[nH]1)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001378576566	921979468	/nfs/dbraw/zinc/97/94/68/921979468.db2.gz	OLGDGTTXDGQRSK-SSDOTTSWSA-N	-1	1	306.330	-1.192	20	0		DAADMM
O=C(NCC1(NC(=O)[C@@H]2CNC(=O)N2)CC1)c1ncccc1[O-]	ZINC001378749051	922003967	/nfs/dbraw/zinc/00/39/67/922003967.db2.gz	NAYACSWQUXSDLF-QMMMGPOBSA-N	-1	1	319.321	-1.153	20	0		DAADMM
CCO[C@H](C)C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001379355711	922129160	/nfs/dbraw/zinc/12/91/60/922129160.db2.gz	BQHHSAYMSDYOGC-BDAKNGLRSA-N	-1	1	301.347	-1.900	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)c2ccccc2)nc1=O	ZINC001379352714	922129860	/nfs/dbraw/zinc/12/98/60/922129860.db2.gz	QUCOMNIDDZXDNN-LLVKDONJSA-N	-1	1	305.338	-1.011	20	0		DAADMM
CS[C@@H](C)C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001379359669	922133497	/nfs/dbraw/zinc/13/34/97/922133497.db2.gz	ICKIPCXCTQEBHE-YUMQZZPRSA-N	-1	1	303.388	-1.573	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)c2cncs2)nc1=O	ZINC001379363349	922136815	/nfs/dbraw/zinc/13/68/15/922136815.db2.gz	OVKSIQOOHAXQDD-ZETCQYMHSA-N	-1	1	312.355	-1.555	20	0		DAADMM
C[C@H](N[C@@H](CO)CNC(=O)c1ncccc1[O-])c1nnnn1C	ZINC001379400647	922154869	/nfs/dbraw/zinc/15/48/69/922154869.db2.gz	YQTSSIGGSDXVPW-DTWKUNHWSA-N	-1	1	321.341	-1.248	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)c2ccns2)nc1=O	ZINC001379412347	922161564	/nfs/dbraw/zinc/16/15/64/922161564.db2.gz	ZQBBBKVFSZDLOD-ZETCQYMHSA-N	-1	1	312.355	-1.555	20	0		DAADMM
CCc1cc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)no1	ZINC001379507821	922208736	/nfs/dbraw/zinc/20/87/36/922208736.db2.gz	XMFGMRJUOWEDND-QMMMGPOBSA-N	-1	1	324.341	-1.461	20	0		DAADMM
CCc1cc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)no1	ZINC001379507817	922211102	/nfs/dbraw/zinc/21/11/02/922211102.db2.gz	XMFGMRJUOWEDND-MRVPVSSYSA-N	-1	1	324.341	-1.461	20	0		DAADMM
CNC(=O)NCC(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)C[C@@H]1C	ZINC001379570344	922227521	/nfs/dbraw/zinc/22/75/21/922227521.db2.gz	FKQHDKLOBOVCQD-YUMQZZPRSA-N	-1	1	311.346	-1.482	20	0		DAADMM
CNC(=O)NCC(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001379570340	922228554	/nfs/dbraw/zinc/22/85/54/922228554.db2.gz	FKQHDKLOBOVCQD-SFYZADRCSA-N	-1	1	311.346	-1.482	20	0		DAADMM
COC(=O)NCC(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)C[C@@H]1C	ZINC001379590304	922230572	/nfs/dbraw/zinc/23/05/72/922230572.db2.gz	YYQGSKRPUQNUEC-YUMQZZPRSA-N	-1	1	312.330	-1.055	20	0		DAADMM
CCS(=O)(=O)CC(=O)N[C@@H](C)CNCc1n[nH]c(=O)[n-]1	ZINC001379601584	922232619	/nfs/dbraw/zinc/23/26/19/922232619.db2.gz	RYRHHEWGVQYNFJ-ZETCQYMHSA-N	-1	1	305.360	-1.461	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)C[C@H]1CCNC1=O	ZINC001379678826	922239838	/nfs/dbraw/zinc/23/98/38/922239838.db2.gz	JSGXALYROUADOQ-NXEZZACHSA-N	-1	1	324.385	-1.429	20	0		DAADMM
Cc1cc(C(=O)N(C)C[C@H](O)CNCc2n[nH]c(=O)[n-]2)cnn1	ZINC001379772376	922254524	/nfs/dbraw/zinc/25/45/24/922254524.db2.gz	JETMPPDPXDPAAG-SNVBAGLBSA-N	-1	1	321.341	-1.169	20	0		DAADMM
CN1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001380556246	922389435	/nfs/dbraw/zinc/38/94/35/922389435.db2.gz	QUFAWCIKXMTKJS-YGRLFVJLSA-N	-1	1	324.385	-1.343	20	0		DAADMM
Cc1ncoc1C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001380577833	922400218	/nfs/dbraw/zinc/40/02/18/922400218.db2.gz	KSXCIDXDUYMWRP-UHFFFAOYSA-N	-1	1	322.325	-1.618	20	0		DAADMM
Cc1ncc(C(=O)NCC2(O)CN(Cc3nc(=O)n(C)[n-]3)C2)[nH]1	ZINC001380580778	922404095	/nfs/dbraw/zinc/40/40/95/922404095.db2.gz	DJSWCMQGKMZIBS-UHFFFAOYSA-N	-1	1	321.341	-1.883	20	0		DAADMM
O=C(NCC1(O)CN([C@@H]2CCNC2=O)C1)c1ncccc1[O-]	ZINC001380590528	922408951	/nfs/dbraw/zinc/40/89/51/922408951.db2.gz	SWEKJLZDEPFUJB-SECBINFHSA-N	-1	1	306.322	-1.548	20	0		DAADMM
O=C(CN1CC(O)(CNC(=O)c2ncccc2[O-])C1)N1CCC1	ZINC001380591394	922409246	/nfs/dbraw/zinc/40/92/46/922409246.db2.gz	ZVQQOMRGRYEEAJ-UHFFFAOYSA-N	-1	1	320.349	-1.204	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)nc1=O	ZINC001381087073	922497461	/nfs/dbraw/zinc/49/74/61/922497461.db2.gz	FJMXGFVOBHWERV-HZMBPMFUSA-N	-1	1	307.354	-1.211	20	0		DAADMM
CC(=O)N1CC(C(=O)N[C@H](C)[C@H](C)NCc2n[nH]c(=O)[n-]2)C1	ZINC001381363963	922524245	/nfs/dbraw/zinc/52/42/45/922524245.db2.gz	OZSQSCFVQLWHFC-JGVFFNPUSA-N	-1	1	310.358	-1.029	20	0		DAADMM
C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001381584849	922539456	/nfs/dbraw/zinc/53/94/56/922539456.db2.gz	DHIJLORPYXAHJV-UWVGGRQHSA-N	-1	1	324.385	-1.286	20	0		DAADMM
Cn1cc(CC(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)cn1	ZINC001382185607	922600687	/nfs/dbraw/zinc/60/06/87/922600687.db2.gz	QFXPKQOVHZOOHJ-SNVBAGLBSA-N	-1	1	323.357	-2.349	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)[C@@H]2CCCCO2)nc1=O	ZINC001382194934	922607479	/nfs/dbraw/zinc/60/74/79/922607479.db2.gz	DDCCNBISLKFXAB-UWVGGRQHSA-N	-1	1	313.358	-1.756	20	0		DAADMM
Cc1cc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)co1	ZINC001382198892	922611290	/nfs/dbraw/zinc/61/12/90/922611290.db2.gz	KEACJSZXHWPTAC-SNVBAGLBSA-N	-1	1	309.326	-1.110	20	0		DAADMM
Cn1cnc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)c1	ZINC001382200353	922611362	/nfs/dbraw/zinc/61/13/62/922611362.db2.gz	RIDAAYDUXWBSOM-QMMMGPOBSA-N	-1	1	309.330	-2.278	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)C2=CCOCC2)nc1=O	ZINC001382202945	922614880	/nfs/dbraw/zinc/61/48/80/922614880.db2.gz	YOTURTXFVVKESZ-SNVBAGLBSA-N	-1	1	311.342	-1.978	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)c2ccsn2)nc1=O	ZINC001382214742	922621432	/nfs/dbraw/zinc/62/14/32/922621432.db2.gz	SZGWOMDKNRIFPE-ZETCQYMHSA-N	-1	1	312.355	-1.555	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)c2ccsn2)nc1=O	ZINC001382214739	922621612	/nfs/dbraw/zinc/62/16/12/922621612.db2.gz	SZGWOMDKNRIFPE-SSDOTTSWSA-N	-1	1	312.355	-1.555	20	0		DAADMM
Cc1ccc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)nn1	ZINC001382213221	922623239	/nfs/dbraw/zinc/62/32/39/922623239.db2.gz	KAFINXYYDNHZMQ-VIFPVBQESA-N	-1	1	321.341	-1.913	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)[C@@]2(C)CCOC2)nc1=O	ZINC001382258635	922648036	/nfs/dbraw/zinc/64/80/36/922648036.db2.gz	XUQKSTLZBAHCSE-ZANVPECISA-N	-1	1	313.358	-1.898	20	0		DAADMM
CC(C)[C@@H](O)C(=O)N(C)C[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001382395035	922717766	/nfs/dbraw/zinc/71/77/66/922717766.db2.gz	SFVHXOJSXUKUSD-PSASIEDQSA-N	-1	1	301.347	-1.564	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)C[C@H]1CCOC1	ZINC001382411980	922731938	/nfs/dbraw/zinc/73/19/38/922731938.db2.gz	GOGPEAJROIYVTQ-NXEZZACHSA-N	-1	1	313.358	-1.154	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1cccnn1	ZINC001382421475	922741824	/nfs/dbraw/zinc/74/18/24/922741824.db2.gz	BBEAYSUNYPEKPT-QMMMGPOBSA-N	-1	1	307.314	-1.477	20	0		DAADMM
C[C@@H](CNC(=O)Cn1ncn(C)c1=O)NC(=O)c1cnn[nH]1	ZINC001386907000	923328241	/nfs/dbraw/zinc/32/82/41/923328241.db2.gz	OWFZDZADWZIIGD-ZETCQYMHSA-N	-1	1	308.302	-2.365	20	0		DAADMM
C[C@H](CNC(=O)c1nnn(C)n1)NC(=O)c1ncccc1[O-]	ZINC001387035417	923347034	/nfs/dbraw/zinc/34/70/34/923347034.db2.gz	KAZOSWFJRZLWFM-SSDOTTSWSA-N	-1	1	305.298	-1.141	20	0		DAADMM
C[C@@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@@H]1CNC(=O)N1	ZINC001388431693	923481140	/nfs/dbraw/zinc/48/11/40/923481140.db2.gz	DZEMWKUTRYQFJC-BDAKNGLRSA-N	-1	1	321.337	-1.049	20	0		DAADMM
C[C@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@H]1CNC(=O)N1	ZINC001388431695	923481933	/nfs/dbraw/zinc/48/19/33/923481933.db2.gz	DZEMWKUTRYQFJC-DTWKUNHWSA-N	-1	1	321.337	-1.049	20	0		DAADMM
CNC(=O)NCC(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-]	ZINC001389388508	923612865	/nfs/dbraw/zinc/61/28/65/923612865.db2.gz	DBTUBEUFHUKVJX-QMMMGPOBSA-N	-1	1	309.326	-1.049	20	0		DAADMM
NC(=O)NCC(=O)N1CC(CNC(=O)c2ncccc2[O-])C1	ZINC001389647468	923659482	/nfs/dbraw/zinc/65/94/82/923659482.db2.gz	CKQZJDWDGSMMSV-UHFFFAOYSA-N	-1	1	307.310	-1.356	20	0		DAADMM
CN(CCNC(=O)COCC(F)F)Cc1nc(=O)n(C)[n-]1	ZINC001390793352	923779987	/nfs/dbraw/zinc/77/99/87/923779987.db2.gz	AMNWGVWOHJKTOC-UHFFFAOYSA-N	-1	1	307.301	-1.062	20	0		DAADMM
Cn1cncc1CCC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001391451831	923839839	/nfs/dbraw/zinc/83/98/39/923839839.db2.gz	PKWSTJRMJALLNB-UHFFFAOYSA-N	-1	1	319.369	-1.225	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)CNC(=O)C3CC3)C2)nc1=O	ZINC001391466663	923843490	/nfs/dbraw/zinc/84/34/90/923843490.db2.gz	FXYHYZREPDIPHN-UHFFFAOYSA-N	-1	1	322.369	-1.817	20	0		DAADMM
CC(=O)N(C)CC(=O)N(C)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001391602210	923863242	/nfs/dbraw/zinc/86/32/42/923863242.db2.gz	LYSMFNNHOGZERU-NSHDSACASA-N	-1	1	324.385	-1.381	20	0		DAADMM
O=C(NC[C@@H](O)CNC(=O)C1=COCCO1)c1ncccc1[O-]	ZINC001392009824	923907367	/nfs/dbraw/zinc/90/73/67/923907367.db2.gz	WZWXIVCCTOZCBJ-VIFPVBQESA-N	-1	1	323.305	-1.118	20	0		DAADMM
CN(CCN(C)C(=O)Cn1cccn1)Cc1nc(=O)n(C)[n-]1	ZINC001392258798	923951946	/nfs/dbraw/zinc/95/19/46/923951946.db2.gz	DRVIAAQBIXTMDM-UHFFFAOYSA-N	-1	1	307.358	-1.105	20	0		DAADMM
CN(CCN(C)C(=O)[C@H]1CCC(=O)N1)Cc1nc(=O)n(C)[n-]1	ZINC001392264496	923954101	/nfs/dbraw/zinc/95/41/01/923954101.db2.gz	DKMVSOUTIWLYFJ-SECBINFHSA-N	-1	1	310.358	-1.723	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N[C@@H](C)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001392680280	924067102	/nfs/dbraw/zinc/06/71/02/924067102.db2.gz	YQUSTSNZYAMLMS-BDAKNGLRSA-N	-1	1	312.374	-1.444	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC001392689513	924067581	/nfs/dbraw/zinc/06/75/81/924067581.db2.gz	OKIXQTBHBXMTTE-SVDPJWKOSA-N	-1	1	309.370	-1.063	20	0		DAADMM
C[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001392829078	924081952	/nfs/dbraw/zinc/08/19/52/924081952.db2.gz	MOIWTWMCRXEOHD-YUMQZZPRSA-N	-1	1	311.346	-2.144	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)[C@@H]3CCCO3)C2)nc1=O	ZINC001393287911	924154807	/nfs/dbraw/zinc/15/48/07/924154807.db2.gz	FPPGXACDAHXNJC-VIFPVBQESA-N	-1	1	311.342	-2.050	20	0		DAADMM
C[C@@H](CNC(=O)[C@H](C)NC(N)=O)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001394063801	924276100	/nfs/dbraw/zinc/27/61/00/924276100.db2.gz	KVPSXEHPHDJRJI-YUMQZZPRSA-N	-1	1	313.362	-1.898	20	0		DAADMM
CCn1nncc1C(=O)NC[C@H](C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001394068888	924277268	/nfs/dbraw/zinc/27/72/68/924277268.db2.gz	RPNRFEGUBKZUBZ-VIFPVBQESA-N	-1	1	322.373	-1.030	20	0		DAADMM
C[C@H](CN(C)C(=O)C[C@@H]1CCNC1=O)NCc1n[nH]c(=O)[n-]1	ZINC001394486198	924305089	/nfs/dbraw/zinc/30/50/89/924305089.db2.gz	CDFPMJOJHXUEDM-BDAKNGLRSA-N	-1	1	310.358	-1.027	20	0		DAADMM
COCCC(=O)NC[C@@H](CO)NCc1cc(=O)n2[n-]ccc2n1	ZINC001394563735	924308698	/nfs/dbraw/zinc/30/86/98/924308698.db2.gz	KWPYLAAREYNCEV-NSHDSACASA-N	-1	1	323.353	-1.374	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)[C@H]2CCCOC2)nc1=O	ZINC001394580319	924320661	/nfs/dbraw/zinc/32/06/61/924320661.db2.gz	XJEDOKMKVUCPIJ-UWVGGRQHSA-N	-1	1	313.358	-1.898	20	0		DAADMM
Cc1cccnc1C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001394583762	924322850	/nfs/dbraw/zinc/32/28/50/924322850.db2.gz	WPEDYNUACXEOSD-JTQLQIEISA-N	-1	1	320.353	-1.308	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)CC(C)(C)O)nc1=O	ZINC001394589506	924327043	/nfs/dbraw/zinc/32/70/43/924327043.db2.gz	TVBPMACYYLGPTE-MRVPVSSYSA-N	-1	1	301.347	-2.164	20	0		DAADMM
O=C(CCc1n[nH]c(=O)[n-]c1=O)NC[C@H](CO)NCCF	ZINC001394610052	924337601	/nfs/dbraw/zinc/33/76/01/924337601.db2.gz	VSWXQTDBJIXWSU-SSDOTTSWSA-N	-1	1	303.294	-1.748	20	0		DAADMM
Cc1cc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)c(C)[nH]1	ZINC001394634413	924345856	/nfs/dbraw/zinc/34/58/56/924345856.db2.gz	RNFYQCOOEXIDBI-JTQLQIEISA-N	-1	1	322.369	-1.066	20	0		DAADMM
Cc1cc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)c(C)[nH]1	ZINC001394634416	924346479	/nfs/dbraw/zinc/34/64/79/924346479.db2.gz	RNFYQCOOEXIDBI-SNVBAGLBSA-N	-1	1	322.369	-1.066	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)CC(C)(C)O	ZINC001394733859	924367958	/nfs/dbraw/zinc/36/79/58/924367958.db2.gz	ICTKUHHKNFRZRW-MRVPVSSYSA-N	-1	1	301.347	-1.420	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)CC(C)(C)O	ZINC001394733860	924368166	/nfs/dbraw/zinc/36/81/66/924368166.db2.gz	ICTKUHHKNFRZRW-QMMMGPOBSA-N	-1	1	301.347	-1.420	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC001394748125	924374252	/nfs/dbraw/zinc/37/42/52/924374252.db2.gz	PWANFHIUYDKMIJ-REIXXSIJSA-N	-1	1	311.342	-1.688	20	0		DAADMM
CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001396063811	924507963	/nfs/dbraw/zinc/50/79/63/924507963.db2.gz	MAWRVXDQIQSAAC-SECBINFHSA-N	-1	1	322.325	-1.671	20	0		DAADMM
CN(C[C@H]1CCN1CCO)C(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC001396991123	924552976	/nfs/dbraw/zinc/55/29/76/924552976.db2.gz	AZBRFIHIWRISRO-SECBINFHSA-N	-1	1	311.342	-1.260	20	0		DAADMM
CS(=O)(=O)CC(=O)NC[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001397555426	924588491	/nfs/dbraw/zinc/58/84/91/924588491.db2.gz	FNQJMQNVBHLKJF-OCAPTIKFSA-N	-1	1	317.371	-1.461	20	0		DAADMM
CO[C@H](C)C(=O)NCCN(C)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001397876143	924606648	/nfs/dbraw/zinc/60/66/48/924606648.db2.gz	LGXXNMOCZFVJMY-MRVPVSSYSA-N	-1	1	322.325	-1.359	20	0		DAADMM
C[C@H](NC(N)=O)C(=O)NC1CN(C(=O)c2ncccc2[O-])C1	ZINC001398578705	924652168	/nfs/dbraw/zinc/65/21/68/924652168.db2.gz	WHZWNLMIWASCBQ-ZETCQYMHSA-N	-1	1	307.310	-1.215	20	0		DAADMM
CCS(=O)(=O)CC(=O)N[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001398584203	924652363	/nfs/dbraw/zinc/65/23/63/924652363.db2.gz	VJAVNXPEYRJZDS-ZKCHVHJHSA-N	-1	1	317.371	-1.318	20	0		DAADMM
C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NCc1ccn(C)n1	ZINC001398926827	924679407	/nfs/dbraw/zinc/67/94/07/924679407.db2.gz	GUAINSAYQQAWQE-ZETCQYMHSA-N	-1	1	307.314	-1.076	20	0		DAADMM
C[C@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)NCc1n[nH]c(=O)[n-]1	ZINC001398962813	924683258	/nfs/dbraw/zinc/68/32/58/924683258.db2.gz	RGILOTXMAJNDFM-RKDXNWHRSA-N	-1	1	310.358	-1.027	20	0		DAADMM
CN(CCNC(=O)CO[C@@H]1CCOC1)Cc1nc(=O)n(C)[n-]1	ZINC001399492244	924705237	/nfs/dbraw/zinc/70/52/37/924705237.db2.gz	UINITTQPGSSAQL-SNVBAGLBSA-N	-1	1	313.358	-1.538	20	0		DAADMM
Cn1[n-]c(CN(CCNC(=O)[C@H]2CCC(=O)N2)C2CC2)nc1=O	ZINC001399994834	924764027	/nfs/dbraw/zinc/76/40/27/924764027.db2.gz	HSOYULYUHQLKHV-SNVBAGLBSA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CS(C)(=O)=O)C2)nc1=O	ZINC001400329589	924787986	/nfs/dbraw/zinc/78/79/86/924787986.db2.gz	YJTZGWFVIUKISI-UHFFFAOYSA-N	-1	1	303.344	-2.547	20	0		DAADMM
CC[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001400828759	924833704	/nfs/dbraw/zinc/83/37/04/924833704.db2.gz	UAGNKNDINNKKCI-YUMQZZPRSA-N	-1	1	319.387	-1.072	20	0		DAADMM
CC[C@@H](CNC(=O)c1cn(C)c(=O)n1C)NCc1n[nH]c(=O)[n-]1	ZINC001400937471	924837756	/nfs/dbraw/zinc/83/77/56/924837756.db2.gz	ZMCRCKZXLKFQGN-QMMMGPOBSA-N	-1	1	323.357	-1.154	20	0		DAADMM
CC[C@H](CNC(=O)c1cn(C)c(=O)n1C)NCc1n[nH]c(=O)[n-]1	ZINC001400937465	924838125	/nfs/dbraw/zinc/83/81/25/924838125.db2.gz	ZMCRCKZXLKFQGN-MRVPVSSYSA-N	-1	1	323.357	-1.154	20	0		DAADMM
CN(CCN(C)C(=O)[C@H]1CCNC(=O)C1)Cc1nc(=O)n(C)[n-]1	ZINC001401363686	924858848	/nfs/dbraw/zinc/85/88/48/924858848.db2.gz	UBTXIZADRBNCBD-JTQLQIEISA-N	-1	1	324.385	-1.475	20	0		DAADMM
C[C@@H](O)CN(C)CCN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC001401406760	924859001	/nfs/dbraw/zinc/85/90/01/924859001.db2.gz	IGYQJZFJQTVMLO-SNVBAGLBSA-N	-1	1	322.369	-1.158	20	0		DAADMM
O=C(CC[C@H]1CCOC1)NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001401513011	924872825	/nfs/dbraw/zinc/87/28/25/924872825.db2.gz	VWCRPKCDRULULF-UWVGGRQHSA-N	-1	1	313.358	-1.106	20	0		DAADMM
O=C(CC[C@@H]1CCOC1)NC[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001401513001	924872945	/nfs/dbraw/zinc/87/29/45/924872945.db2.gz	VWCRPKCDRULULF-NXEZZACHSA-N	-1	1	313.358	-1.106	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CCS(=O)(=O)C1	ZINC001401640599	924910782	/nfs/dbraw/zinc/91/07/82/924910782.db2.gz	QHLDASGRJPUYGF-HTQZYQBOSA-N	-1	1	317.371	-1.461	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)CN(C)C(=O)C1CC1	ZINC001401680207	924911699	/nfs/dbraw/zinc/91/16/99/924911699.db2.gz	CYHGHHAIRVGGIE-QMMMGPOBSA-N	-1	1	310.358	-1.027	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)CNC(=O)C2CC2)nc1=O	ZINC001401888334	924929417	/nfs/dbraw/zinc/92/94/17/924929417.db2.gz	VATZSHGJRANINW-SNVBAGLBSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1ccc(C(=O)NCC2(O)CN(Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC001402318567	924974990	/nfs/dbraw/zinc/97/49/90/924974990.db2.gz	HEQCDIWOWRUSIS-UHFFFAOYSA-N	-1	1	320.353	-1.576	20	0		DAADMM
C[C@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)N(C)CCO	ZINC001403174012	925056352	/nfs/dbraw/zinc/05/63/52/925056352.db2.gz	IKYYGDYKPYEYGP-SECBINFHSA-N	-1	1	308.342	-1.500	20	0		DAADMM
Cn1[n-]c(CN2CC(CCO)(NC(=O)c3cnco3)C2)nc1=O	ZINC001403230233	925064405	/nfs/dbraw/zinc/06/44/05/925064405.db2.gz	ZCEABSCZEFRJDS-UHFFFAOYSA-N	-1	1	322.325	-1.537	20	0		DAADMM
COc1cc(C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)on1	ZINC001403531731	925082068	/nfs/dbraw/zinc/08/20/68/925082068.db2.gz	HXNQHMMVNDFQJJ-UHFFFAOYSA-N	-1	1	310.314	-1.033	20	0		DAADMM
CN(C(=O)[C@H]1COC(=O)N1)[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001403498097	925082412	/nfs/dbraw/zinc/08/24/12/925082412.db2.gz	YRIXWQGMBHNQGI-RKDXNWHRSA-N	-1	1	324.341	-1.055	20	0		DAADMM
Cn1nnnc1CN[C@@H](CO)CNC(=O)c1ncccc1[O-]	ZINC001403634674	925090778	/nfs/dbraw/zinc/09/07/78/925090778.db2.gz	ABMGYTKQYAOEDH-MRVPVSSYSA-N	-1	1	307.314	-1.809	20	0		DAADMM
Cn1nnc(CN[C@H](CO)CNC(=O)c2ncccc2[O-])n1	ZINC001403637124	925091007	/nfs/dbraw/zinc/09/10/07/925091007.db2.gz	DMEAYEUYYFXOSZ-QMMMGPOBSA-N	-1	1	307.314	-1.809	20	0		DAADMM
Cn1nnc(CN[C@@H](CO)CNC(=O)c2ncccc2[O-])n1	ZINC001403637109	925091303	/nfs/dbraw/zinc/09/13/03/925091303.db2.gz	DMEAYEUYYFXOSZ-MRVPVSSYSA-N	-1	1	307.314	-1.809	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)c2ccc(F)cn2)nc1=O	ZINC001403657088	925100858	/nfs/dbraw/zinc/10/08/58/925100858.db2.gz	ZWOQCRHZVZPTPY-SECBINFHSA-N	-1	1	324.316	-1.477	20	0		DAADMM
Cc1ncccc1C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001403693206	925117849	/nfs/dbraw/zinc/11/78/49/925117849.db2.gz	FLAUOTGESSKMAE-JTQLQIEISA-N	-1	1	320.353	-1.308	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)[C@H]2CC23CCC3)nc1=O	ZINC001403705902	925122077	/nfs/dbraw/zinc/12/20/77/925122077.db2.gz	UCUNPZAEOIUHJE-NXEZZACHSA-N	-1	1	309.370	-1.135	20	0		DAADMM
CC(C)[C@@H](F)C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001403715507	925125813	/nfs/dbraw/zinc/12/58/13/925125813.db2.gz	XJPVRKODCPZURW-PSASIEDQSA-N	-1	1	303.338	-1.331	20	0		DAADMM
CCC(=O)NCC(=O)NCCN(CC)Cc1nc(=O)n(C)[n-]1	ZINC001403814555	925142783	/nfs/dbraw/zinc/14/27/83/925142783.db2.gz	DXONPAQVMKXDOI-UHFFFAOYSA-N	-1	1	312.374	-1.427	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)[C@@]1(F)CCOC1	ZINC001403868077	925158860	/nfs/dbraw/zinc/15/88/60/925158860.db2.gz	HNKQTUZTRFLAFX-QPUJVOFHSA-N	-1	1	317.321	-1.452	20	0		DAADMM
COCCN1CC(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001404910418	925225450	/nfs/dbraw/zinc/22/54/50/925225450.db2.gz	NATHOFUBEFSHEU-UHFFFAOYSA-N	-1	1	320.353	-1.234	20	0		DAADMM
Cc1nonc1CC(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001404918405	925226008	/nfs/dbraw/zinc/22/60/08/925226008.db2.gz	KNPQQKHONNTIQH-UHFFFAOYSA-N	-1	1	321.341	-1.409	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001405049288	925234234	/nfs/dbraw/zinc/23/42/34/925234234.db2.gz	JFPLJQUCVWSZTI-WCBMZHEXSA-N	-1	1	310.358	-1.677	20	0		DAADMM
CCC(=O)N[C@@H](C)C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001406840988	925436247	/nfs/dbraw/zinc/43/62/47/925436247.db2.gz	VJHUUWLGVDLZGC-VHSXEESVSA-N	-1	1	324.385	-1.286	20	0		DAADMM
CCC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001406840960	925436946	/nfs/dbraw/zinc/43/69/46/925436946.db2.gz	VJHUUWLGVDLZGC-UWVGGRQHSA-N	-1	1	324.385	-1.286	20	0		DAADMM
C[C@@H](C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)n1cncn1	ZINC001406854366	925438610	/nfs/dbraw/zinc/43/86/10/925438610.db2.gz	NWHOZWKRQWSIKH-UWVGGRQHSA-N	-1	1	320.357	-1.348	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](C)(NC(=O)CCCC(N)=O)C2)nc1=O	ZINC001407220823	925458585	/nfs/dbraw/zinc/45/85/85/925458585.db2.gz	XJEORFAOQWCIIX-CQSZACIVSA-N	-1	1	324.385	-1.155	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](O)(CNC(=O)c3cc[nH]c3)C2)nc1=O	ZINC001407349275	925467265	/nfs/dbraw/zinc/46/72/65/925467265.db2.gz	LKNWNFGRJPNYTL-AWEZNQCLSA-N	-1	1	320.353	-1.197	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)c3ccccn3)C2)nc1=O	ZINC001407385840	925476355	/nfs/dbraw/zinc/47/63/55/925476355.db2.gz	VNWURSRWKCQVOQ-UHFFFAOYSA-N	-1	1	318.337	-1.520	20	0		DAADMM
CC[C@@H](C)CN1CC(O)(CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001407477101	925497844	/nfs/dbraw/zinc/49/78/44/925497844.db2.gz	PYFANDFYVHEHTI-SECBINFHSA-N	-1	1	313.358	-1.102	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)c3cc[nH]c3)C2)nc1=O	ZINC001407513907	925504342	/nfs/dbraw/zinc/50/43/42/925504342.db2.gz	KIKIJNZSLCTSTR-UHFFFAOYSA-N	-1	1	306.326	-1.587	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@](CO)(NC(=O)C3CC3)C2)nc1=O	ZINC001407584764	925508474	/nfs/dbraw/zinc/50/84/74/925508474.db2.gz	MAKKBUBYZVKWOT-CQSZACIVSA-N	-1	1	309.370	-1.039	20	0		DAADMM
C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1nnn(C)n1	ZINC001408124829	925549279	/nfs/dbraw/zinc/54/92/79/925549279.db2.gz	PRKJFHVAVSEUHR-ZETCQYMHSA-N	-1	1	305.298	-1.141	20	0		DAADMM
CO[C@H](C)C(=O)N1CCC(O)(CNCc2n[nH]c(=O)[n-]2)CC1	ZINC001408147042	925551636	/nfs/dbraw/zinc/55/16/36/925551636.db2.gz	SNAQBERSZWTOAZ-SECBINFHSA-N	-1	1	313.358	-1.012	20	0		DAADMM
C[C@@H](CNC(=O)Cn1cccn1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001409488406	925636366	/nfs/dbraw/zinc/63/63/66/925636366.db2.gz	DFYFGEQNKMINJG-JTQLQIEISA-N	-1	1	307.358	-1.058	20	0		DAADMM
C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)N(C)[C@@H]1CCN(C)C1=O	ZINC001409603548	925637237	/nfs/dbraw/zinc/63/72/37/925637237.db2.gz	RLKICIIYKIXELJ-HTQZYQBOSA-N	-1	1	324.341	-1.436	20	0		DAADMM
CO[C@@H](C)C(=O)NC1(CCO)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001409705449	925646365	/nfs/dbraw/zinc/64/63/65/925646365.db2.gz	MWPQQCOJEZMJQG-VIFPVBQESA-N	-1	1	313.358	-1.804	20	0		DAADMM
CC(=O)N(C)CC(=O)NC[C@@H](O)CNC(=O)c1ncccc1[O-]	ZINC001410082537	925675374	/nfs/dbraw/zinc/67/53/74/925675374.db2.gz	UDSOPXGMFTXSER-SNVBAGLBSA-N	-1	1	324.337	-1.528	20	0		DAADMM
Cc1ccc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)n1C	ZINC001410561776	925726574	/nfs/dbraw/zinc/72/65/74/925726574.db2.gz	DMEMRIUFCILEDI-SNVBAGLBSA-N	-1	1	322.369	-1.364	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)c2cnns2)nc1=O	ZINC001410578736	925733262	/nfs/dbraw/zinc/73/32/62/925733262.db2.gz	JPKOMIOYUSWKQL-LURJTMIESA-N	-1	1	313.343	-2.160	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)Cc2ccon2)nc1=O	ZINC001410587436	925734913	/nfs/dbraw/zinc/73/49/13/925734913.db2.gz	MNEOCUVFCNKCLA-SECBINFHSA-N	-1	1	310.314	-2.094	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)Cc2ccon2)nc1=O	ZINC001410587442	925735121	/nfs/dbraw/zinc/73/51/21/925735121.db2.gz	MNEOCUVFCNKCLA-VIFPVBQESA-N	-1	1	310.314	-2.094	20	0		DAADMM
Cc1nccc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)n1	ZINC001410796848	925784633	/nfs/dbraw/zinc/78/46/33/925784633.db2.gz	YNMFZBHPHRUFER-VIFPVBQESA-N	-1	1	321.341	-1.913	20	0		DAADMM
Cc1ncc(C(=O)N(C)C[C@H](O)CNCc2n[nH]c(=O)[n-]2)n1C	ZINC001411096579	925810559	/nfs/dbraw/zinc/81/05/59/925810559.db2.gz	RDFRQCITTRNBDE-SECBINFHSA-N	-1	1	323.357	-1.225	20	0		DAADMM
O=C(CCc1nn[n-]n1)NCC(=O)NCCN1CCOCC1	ZINC001411755342	925854681	/nfs/dbraw/zinc/85/46/81/925854681.db2.gz	VDFSOSAQBVWIAX-UHFFFAOYSA-N	-1	1	311.346	-2.303	20	0		DAADMM
O=C(C1=NN(CCO)C(=O)CC1)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001411784371	925858218	/nfs/dbraw/zinc/85/82/18/925858218.db2.gz	XKYNLKARONBMQB-VIFPVBQESA-N	-1	1	323.313	-1.930	20	0		DAADMM
O=C(c1cnn(C[C@@H](O)CO)c1)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC001411940731	925862248	/nfs/dbraw/zinc/86/22/48/925862248.db2.gz	VODHBPWWJZRAEA-MWLCHTKSSA-N	-1	1	321.341	-1.231	20	0		DAADMM
O=C(c1cnn(C[C@H](O)CO)c1)N1CCC[C@H](c2nn[n-]n2)C1	ZINC001411940735	925862847	/nfs/dbraw/zinc/86/28/47/925862847.db2.gz	VODHBPWWJZRAEA-ONGXEEELSA-N	-1	1	321.341	-1.231	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)NCC2(CO)COC2)co1	ZINC001411938729	925863046	/nfs/dbraw/zinc/86/30/46/925863046.db2.gz	QMXOBNUZZPUPDM-UHFFFAOYSA-N	-1	1	304.324	-1.074	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N1CC[C@@H](CO)[C@H](O)C1	ZINC001412018138	925867873	/nfs/dbraw/zinc/86/78/73/925867873.db2.gz	VAAIENAUHFHJPI-GXSJLCMTSA-N	-1	1	309.322	-1.281	20	0		DAADMM
O=C(CC1CS(=O)(=O)C1)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001412053599	925868894	/nfs/dbraw/zinc/86/88/94/925868894.db2.gz	BATPPFUPTYDKPG-UHFFFAOYSA-N	-1	1	315.355	-1.556	20	0		DAADMM
CNS(=O)(=O)NCC(=O)N1CCSC[C@H]1c1nn[n-]n1	ZINC001412038965	925869505	/nfs/dbraw/zinc/86/95/05/925869505.db2.gz	AMCOQKITSASJGY-LURJTMIESA-N	-1	1	321.388	-2.130	20	0		DAADMM
Cn1cnn(CCC(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1=O	ZINC001412056464	925869990	/nfs/dbraw/zinc/86/99/90/925869990.db2.gz	IHQKDFQBMSRQAY-VIFPVBQESA-N	-1	1	306.330	-1.109	20	0		DAADMM
C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@H](c2nn[n-]n2)C1	ZINC001412058122	925870158	/nfs/dbraw/zinc/87/01/58/925870158.db2.gz	MDQBVOTXSDKUKX-SFYZADRCSA-N	-1	1	302.360	-1.157	20	0		DAADMM
C[C@]1(CO)C[C@H](O)CN1C(=O)CNC(=O)c1ncccc1[O-]	ZINC001412386793	925889999	/nfs/dbraw/zinc/88/99/99/925889999.db2.gz	ZYTBQQLYHOBOGX-LKFCYVNXSA-N	-1	1	309.322	-1.139	20	0		DAADMM
O=C(CO)NCCC(=O)N[C@H](c1nn[n-]n1)c1ccccc1	ZINC001412396266	925892001	/nfs/dbraw/zinc/89/20/01/925892001.db2.gz	CGOUXXXATZOVLU-LBPRGKRZSA-N	-1	1	304.310	-1.096	20	0		DAADMM
CS(=O)(=O)NC[C@@H]1CCCN(C(=O)CCc2nn[n-]n2)C1	ZINC001412429908	925896781	/nfs/dbraw/zinc/89/67/81/925896781.db2.gz	NTLMZNLTWGLIBB-VIFPVBQESA-N	-1	1	316.387	-1.080	20	0		DAADMM
O=C([C@H]1CCCS1(=O)=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001412430745	925896835	/nfs/dbraw/zinc/89/68/35/925896835.db2.gz	JWFQVJASORTROL-JGVFFNPUSA-N	-1	1	301.328	-1.323	20	0		DAADMM
O=C(CCc1nn[n-]n1)NC[C@]12COCCN1C(=O)COC2	ZINC001412458776	925899708	/nfs/dbraw/zinc/89/97/08/925899708.db2.gz	JEYITRAKCRXYOY-GFCCVEGCSA-N	-1	1	310.314	-2.124	20	0		DAADMM
O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN([C@@H]2CCC[C@H]2O)CC1	ZINC001412482606	925901125	/nfs/dbraw/zinc/90/11/25/925901125.db2.gz	LEHXNZGAFIFNOE-RKDXNWHRSA-N	-1	1	309.326	-1.046	20	0		DAADMM
O=C(Cn1ccc(=O)[nH]c1=O)N1CCC(c2nn[n-]n2)CC1	ZINC001412476523	925901538	/nfs/dbraw/zinc/90/15/38/925901538.db2.gz	XRANPGUMYUMXAW-UHFFFAOYSA-N	-1	1	305.298	-1.132	20	0		DAADMM
CCC[C@H](C(=O)N1CC[C@H](c2nn[n-]n2)C1)S(N)(=O)=O	ZINC001412493324	925902739	/nfs/dbraw/zinc/90/27/39/925902739.db2.gz	UYHFZJCFXKBMDV-JGVFFNPUSA-N	-1	1	302.360	-1.027	20	0		DAADMM
CNS(=O)(=O)N1CCC(C(=O)NCc2nn[n-]n2)CC1	ZINC001412508200	925906489	/nfs/dbraw/zinc/90/64/89/925906489.db2.gz	UJDZBJFAEPRBTE-UHFFFAOYSA-N	-1	1	303.348	-2.008	20	0		DAADMM
CNS(=O)(=O)[C@H]1CCN(C(=O)CCCc2nn[n-]n2)C1	ZINC001412724013	925927785	/nfs/dbraw/zinc/92/77/85/925927785.db2.gz	LPVYASAQZDAXFR-QMMMGPOBSA-N	-1	1	302.360	-1.328	20	0		DAADMM
CCOC(=O)N1C[C@@H](CO)[C@H](NC(=O)CCc2nn[n-]n2)C1	ZINC001412777769	925942044	/nfs/dbraw/zinc/94/20/44/925942044.db2.gz	KKTWHDFEYSCZTP-DTWKUNHWSA-N	-1	1	312.330	-1.302	20	0		DAADMM
CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCc1nn[n-]n1	ZINC001412888823	925976267	/nfs/dbraw/zinc/97/62/67/925976267.db2.gz	KSAHFKRGEXJVHL-JGVFFNPUSA-N	-1	1	312.330	-1.295	20	0		DAADMM
CCCS(=O)(=O)CC(=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001412893596	925977128	/nfs/dbraw/zinc/97/71/28/925977128.db2.gz	BQEFYTGBHISLPD-UHFFFAOYSA-N	-1	1	317.371	-1.166	20	0		DAADMM
CC(C)(C(=O)N1CCC(O)(c2nn[n-]n2)CC1)S(C)(=O)=O	ZINC001412899794	925978680	/nfs/dbraw/zinc/97/86/80/925978680.db2.gz	MPTKKUTVLLBABY-UHFFFAOYSA-N	-1	1	317.371	-1.167	20	0		DAADMM
CCN1CCOC[C@H]1C(=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001412902759	925980532	/nfs/dbraw/zinc/98/05/32/925980532.db2.gz	STTOJSPWVRSGPF-JTQLQIEISA-N	-1	1	310.358	-1.270	20	0		DAADMM
CN(C(=O)CCc1nn[n-]n1)[C@H]1CCN(S(C)(=O)=O)C1	ZINC001412997686	926000448	/nfs/dbraw/zinc/00/04/48/926000448.db2.gz	ABSZVEXUBIMQGB-QMMMGPOBSA-N	-1	1	302.360	-1.375	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@H](O)C[C@H](O)C2)[n-]n1	ZINC001413310032	926032178	/nfs/dbraw/zinc/03/21/78/926032178.db2.gz	RLPZJQLKAKYZLS-KNVOCYPGSA-N	-1	1	305.312	-1.688	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@H](O)C[C@H](O)C2)n[n-]1	ZINC001413310032	926032187	/nfs/dbraw/zinc/03/21/87/926032187.db2.gz	RLPZJQLKAKYZLS-KNVOCYPGSA-N	-1	1	305.312	-1.688	20	0		DAADMM
COC[C@@H](O)CC[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC	ZINC001413326901	926036489	/nfs/dbraw/zinc/03/64/89/926036489.db2.gz	PYDRAPRLHFNIMZ-ZETCQYMHSA-N	-1	1	307.328	-1.128	20	0		DAADMM
C[C@H]1C[C@H]([N-]S(=O)(=O)CCS(=O)(=O)N(C)C)C(=O)O1	ZINC001413354607	926041717	/nfs/dbraw/zinc/04/17/17/926041717.db2.gz	LETBHXOJZDYFHB-YUMQZZPRSA-N	-1	1	314.385	-1.499	20	0		DAADMM
COC(=O)[C@H](CF)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001413359009	926043040	/nfs/dbraw/zinc/04/30/40/926043040.db2.gz	UPDIQOMFAPLRMC-YFKPBYRVSA-N	-1	1	309.275	-1.725	20	0		DAADMM
CNC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)n[n-]2)C1	ZINC001413380150	926045980	/nfs/dbraw/zinc/04/59/80/926045980.db2.gz	JPDAJOTYEMIPKX-SSDOTTSWSA-N	-1	1	316.339	-1.047	20	0		DAADMM
CNC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)[n-]n2)C1	ZINC001413380150	926045985	/nfs/dbraw/zinc/04/59/85/926045985.db2.gz	JPDAJOTYEMIPKX-SSDOTTSWSA-N	-1	1	316.339	-1.047	20	0		DAADMM
CNC(=O)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)n[n-]2)C1	ZINC001413380157	926046630	/nfs/dbraw/zinc/04/66/30/926046630.db2.gz	JPDAJOTYEMIPKX-ZETCQYMHSA-N	-1	1	316.339	-1.047	20	0		DAADMM
CNC(=O)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)[n-]n2)C1	ZINC001413380157	926046638	/nfs/dbraw/zinc/04/66/38/926046638.db2.gz	JPDAJOTYEMIPKX-ZETCQYMHSA-N	-1	1	316.339	-1.047	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NC[C@](C)(CO)OC)[n-]n1	ZINC001413384253	926047115	/nfs/dbraw/zinc/04/71/15/926047115.db2.gz	AGQKSPLZCVHFMM-SNVBAGLBSA-N	-1	1	307.328	-1.128	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NC[C@](C)(CO)OC)n[n-]1	ZINC001413384253	926047118	/nfs/dbraw/zinc/04/71/18/926047118.db2.gz	AGQKSPLZCVHFMM-SNVBAGLBSA-N	-1	1	307.328	-1.128	20	0		DAADMM
CC(C)S(=O)(=O)CC(=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001413388189	926048050	/nfs/dbraw/zinc/04/80/50/926048050.db2.gz	PHOANXBNIKGDAV-MRVPVSSYSA-N	-1	1	303.344	-1.077	20	0		DAADMM
CS(=O)(=O)CCS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1O	ZINC001413410365	926049408	/nfs/dbraw/zinc/04/94/08/926049408.db2.gz	NGSBKTHEYTZEHD-RNFRBKRXSA-N	-1	1	321.398	-2.892	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCCNC(=O)C2)[n-]n1	ZINC001413426741	926053875	/nfs/dbraw/zinc/05/38/75/926053875.db2.gz	IXROEXDNLFZMFE-UHFFFAOYSA-N	-1	1	302.312	-1.293	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCCNC(=O)C2)n[n-]1	ZINC001413426741	926053881	/nfs/dbraw/zinc/05/38/81/926053881.db2.gz	IXROEXDNLFZMFE-UHFFFAOYSA-N	-1	1	302.312	-1.293	20	0		DAADMM
COCCS(=O)(=O)CC(=O)N1CC[C@H](c2nn[n-]n2)C1	ZINC001413469421	926056746	/nfs/dbraw/zinc/05/67/46/926056746.db2.gz	OIPWVAPEFKXNQS-QMMMGPOBSA-N	-1	1	303.344	-1.423	20	0		DAADMM
NS(=O)(=O)N1CCN(C(=O)CCCc2nn[n-]n2)CC1	ZINC001413482346	926058754	/nfs/dbraw/zinc/05/87/54/926058754.db2.gz	PKHBGDDNEXVCTE-UHFFFAOYSA-N	-1	1	303.348	-2.130	20	0		DAADMM
CC(C)CN(Cc1nn[n-]n1)C(=O)CNS(=O)(=O)N(C)C	ZINC001413502575	926060577	/nfs/dbraw/zinc/06/05/77/926060577.db2.gz	JQJRJARQIAQSHK-UHFFFAOYSA-N	-1	1	319.391	-1.420	20	0		DAADMM
C[N@H+](CCO)CCNC(=O)c1cc(S(N)(=O)=O)ccc1O	ZINC001413574974	926064645	/nfs/dbraw/zinc/06/46/45/926064645.db2.gz	PSXDQALKPARJTF-UHFFFAOYSA-N	-1	1	317.367	-1.307	20	0		DAADMM
O=C(CCCc1nn[n-]n1)N1CCN2[C@H](CNS2(=O)=O)C1	ZINC001413653728	926068529	/nfs/dbraw/zinc/06/85/29/926068529.db2.gz	UEHGEOHIEAEQLS-MRVPVSSYSA-N	-1	1	315.359	-2.117	20	0		DAADMM
C[C@@H]1CN(C(=O)CCCc2nn[n-]n2)C[C@H]1CS(N)(=O)=O	ZINC001413716921	926071141	/nfs/dbraw/zinc/07/11/41/926071141.db2.gz	SSGJNQPKEQWBGE-BDAKNGLRSA-N	-1	1	316.387	-1.095	20	0		DAADMM
NS(=O)(=O)C[C@@H]1CCN(C(=O)CCCc2nn[n-]n2)C1	ZINC001413735549	926073781	/nfs/dbraw/zinc/07/37/81/926073781.db2.gz	BZHUUVLNCAFARX-MRVPVSSYSA-N	-1	1	302.360	-1.341	20	0		DAADMM
CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CCS(=O)(=O)C2)n1	ZINC001413853023	926081283	/nfs/dbraw/zinc/08/12/83/926081283.db2.gz	RONLPKYDHJOIHG-YFKPBYRVSA-N	-1	1	308.341	-1.419	20	0		DAADMM
CS(=O)(=O)c1nnc(NC(=O)[C@H]2CCS(=O)(=O)C2)[n-]1	ZINC001413853023	926081292	/nfs/dbraw/zinc/08/12/92/926081292.db2.gz	RONLPKYDHJOIHG-YFKPBYRVSA-N	-1	1	308.341	-1.419	20	0		DAADMM
CN(C1CCN(Cc2nc(=O)n(C)[n-]2)CC1)S(C)(=O)=O	ZINC001413969092	926090921	/nfs/dbraw/zinc/09/09/21/926090921.db2.gz	ZGHSZGKQZLMXQN-UHFFFAOYSA-N	-1	1	303.388	-1.036	20	0		DAADMM
CNC(=O)[C@H](CO)[N-]S(=O)(=O)Cc1cc(OC)ns1	ZINC001414240343	926112353	/nfs/dbraw/zinc/11/23/53/926112353.db2.gz	GPTXAGAWDRZTJZ-ZETCQYMHSA-N	-1	1	309.369	-1.322	20	0		DAADMM
NC(=O)[C@@H]([N-]S(=O)(=O)[C@@H]1COC[C@H]1O)c1ccccn1	ZINC001414273836	926114622	/nfs/dbraw/zinc/11/46/22/926114622.db2.gz	RMRBVJMGDWDCGI-BBBLOLIVSA-N	-1	1	301.324	-1.713	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC[C@@H]2CNC(=O)C2)c(=O)[nH]c1=O	ZINC001414329137	926119889	/nfs/dbraw/zinc/11/98/89/926119889.db2.gz	GOLOTRQTSYVOPN-ZETCQYMHSA-N	-1	1	316.339	-1.710	20	0		DAADMM
C[C@H](CNC(=O)Cn1cnnn1)NC(=O)c1ncccc1[O-]	ZINC001415098426	926160937	/nfs/dbraw/zinc/16/09/37/926160937.db2.gz	CCFSICUZRDTKHK-MRVPVSSYSA-N	-1	1	305.298	-1.292	20	0		DAADMM
C[C@@H](C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1)n1cncn1	ZINC001415821306	926204759	/nfs/dbraw/zinc/20/47/59/926204759.db2.gz	KOCOVIPRSTUJDQ-JTQLQIEISA-N	-1	1	320.357	-1.395	20	0		DAADMM
CS(=O)(=O)N1CCC(NC(=O)CCc2nn[n-]n2)CC1	ZINC001417605977	926320111	/nfs/dbraw/zinc/32/01/11/926320111.db2.gz	SICBKYCWBMIDEM-UHFFFAOYSA-N	-1	1	302.360	-1.328	20	0		DAADMM
O=C(CNC(=O)c1ccc([O-])cn1)NCCN1CCOCC1	ZINC001417633421	926322288	/nfs/dbraw/zinc/32/22/88/926322288.db2.gz	FNXROUBPKMSDGE-UHFFFAOYSA-N	-1	1	308.338	-1.035	20	0		DAADMM
NC(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1	ZINC001417636277	926322617	/nfs/dbraw/zinc/32/26/17/926322617.db2.gz	VLINOYOCIMLZOL-RKDXNWHRSA-N	-1	1	309.330	-1.110	20	0		DAADMM
O=C([C@@H]1CCC2N=NC(=O)N2C1)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001417636378	926322850	/nfs/dbraw/zinc/32/28/50/926322850.db2.gz	YDFTYFRSOXJPCZ-HTQZYQBOSA-N	-1	1	320.313	-1.341	20	0		DAADMM
O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H](c2nn[n-]n2)C1	ZINC001417689121	926329207	/nfs/dbraw/zinc/32/92/07/926329207.db2.gz	PVWFJKVIWXHHCX-QMMMGPOBSA-N	-1	1	305.298	-1.132	20	0		DAADMM
C[C@H](CN(C)C(=O)c1cn(CC(=O)N(C)C)nn1)c1nn[n-]n1	ZINC001417705143	926330338	/nfs/dbraw/zinc/33/03/38/926330338.db2.gz	RPROTWBLNOSVKL-MRVPVSSYSA-N	-1	1	321.345	-1.245	20	0		DAADMM
CS(=O)(=O)NC1CC(NC(=O)CCCc2nn[n-]n2)C1	ZINC001417723342	926331689	/nfs/dbraw/zinc/33/16/89/926331689.db2.gz	HZDSAUORDHVBPZ-UHFFFAOYSA-N	-1	1	302.360	-1.281	20	0		DAADMM
NC(=O)CSCC(=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001417726330	926331982	/nfs/dbraw/zinc/33/19/82/926331982.db2.gz	ZFBKNLZAZHEDQW-UHFFFAOYSA-N	-1	1	300.344	-1.772	20	0		DAADMM
CCN(CCNC(=O)[C@H](C)CC(N)=O)Cc1nc(=O)n(C)[n-]1	ZINC001418557886	926403083	/nfs/dbraw/zinc/40/30/83/926403083.db2.gz	FKHUGCSMDWISCX-SECBINFHSA-N	-1	1	312.374	-1.442	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001418582666	926406978	/nfs/dbraw/zinc/40/69/78/926406978.db2.gz	PHGRFFMQENCVFA-ZJUUUORDSA-N	-1	1	324.385	-1.347	20	0		DAADMM
O=C(NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1COC(=O)N1	ZINC001418888494	926428768	/nfs/dbraw/zinc/42/87/68/926428768.db2.gz	NEKRONJTYQQGQE-DTWKUNHWSA-N	-1	1	324.341	-1.053	20	0		DAADMM
NC(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)nc1	ZINC001418862285	926428917	/nfs/dbraw/zinc/42/89/17/926428917.db2.gz	CKOQMEDTRKPYBN-SECBINFHSA-N	-1	1	303.282	-1.093	20	0		DAADMM
C[C@H](C(=O)NC(N)=O)N1CC(NC(=O)c2ncccc2[O-])C1	ZINC001418975630	926437976	/nfs/dbraw/zinc/43/79/76/926437976.db2.gz	UNVKAQUPZRCZOT-SSDOTTSWSA-N	-1	1	307.310	-1.215	20	0		DAADMM
CN(C)S(=O)(=O)CC(=O)N1CCC(c2nn[n-]n2)CC1	ZINC001418996562	926440710	/nfs/dbraw/zinc/44/07/10/926440710.db2.gz	CIYIHLIAOZKHID-UHFFFAOYSA-N	-1	1	302.360	-1.203	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)Cc3cc[nH]n3)C2)nc1=O	ZINC001419015268	926443871	/nfs/dbraw/zinc/44/38/71/926443871.db2.gz	QHTIAIILCIVKKO-UHFFFAOYSA-N	-1	1	305.342	-1.378	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)C[C@H]3COC(=O)C3)C2)nc1=O	ZINC001419017456	926443910	/nfs/dbraw/zinc/44/39/10/926443910.db2.gz	UHHVFGPBKNXPMJ-SECBINFHSA-N	-1	1	323.353	-1.390	20	0		DAADMM
COC(=O)C1(O)CN(C(=O)CNC(=O)c2ncccc2[O-])C1	ZINC001419028813	926445803	/nfs/dbraw/zinc/44/58/03/926445803.db2.gz	RWMIOTBUIMLBPK-UHFFFAOYSA-N	-1	1	309.278	-1.737	20	0		DAADMM
O=C(CN1CCCCS1(=O)=O)N1CC[C@@H](c2nn[n-]n2)C1	ZINC001419042239	926446876	/nfs/dbraw/zinc/44/68/76/926446876.db2.gz	JIQNWNVMUHYCMB-SECBINFHSA-N	-1	1	314.371	-1.059	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@@]3(F)CCOC3)C2)nc1=O	ZINC001419029377	926446954	/nfs/dbraw/zinc/44/69/54/926446954.db2.gz	FTRNSTKLNDQGOB-CYBMUJFWSA-N	-1	1	313.333	-1.215	20	0		DAADMM
O=C(C1=NN(CCO)C(=O)CC1)N1CC[C@H](c2nn[n-]n2)C1	ZINC001419045008	926447043	/nfs/dbraw/zinc/44/70/43/926447043.db2.gz	WNTAOUHQEQJHIX-QMMMGPOBSA-N	-1	1	307.314	-1.514	20	0		DAADMM
CCC(=O)NCC(=O)N(C)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001419101552	926456763	/nfs/dbraw/zinc/45/67/63/926456763.db2.gz	DGYKLVBXLQDMGJ-JTQLQIEISA-N	-1	1	324.385	-1.333	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)CNC(=O)[C@@H](C)S(C)(=O)=O	ZINC001419485902	926480588	/nfs/dbraw/zinc/48/05/88/926480588.db2.gz	UHYGBRCCONTDNA-HTQZYQBOSA-N	-1	1	319.387	-1.215	20	0		DAADMM
COC[C@H](NC(=O)Cn1c(C)cc(C)nc1=O)c1nn[n-]n1	ZINC001419546407	926485004	/nfs/dbraw/zinc/48/50/04/926485004.db2.gz	AXETUZGEPMWUQM-VIFPVBQESA-N	-1	1	307.314	-1.123	20	0		DAADMM
COC[C@H](NC(=O)CN(C)CC(=O)NC(C)C)c1nn[n-]n1	ZINC001419553565	926485232	/nfs/dbraw/zinc/48/52/32/926485232.db2.gz	MEPBYUMAXUFMOH-VIFPVBQESA-N	-1	1	313.362	-1.540	20	0		DAADMM
COC[C@H](NC(=O)C[C@H]1CCCS1(=O)=O)c1nn[n-]n1	ZINC001419555501	926486010	/nfs/dbraw/zinc/48/60/10/926486010.db2.gz	QYCRVLSAISWCSL-SFYZADRCSA-N	-1	1	303.344	-1.029	20	0		DAADMM
C[C@H](CNC(=O)CN(C)C(=O)C1CC1)NCc1n[nH]c(=O)[n-]1	ZINC001419754049	926498418	/nfs/dbraw/zinc/49/84/18/926498418.db2.gz	GCXFASNNFNBEAP-MRVPVSSYSA-N	-1	1	310.358	-1.027	20	0		DAADMM
C[C@@H](CNC(=O)C1CS(=O)(=O)C1)NCc1n[nH]c(=O)[n-]1	ZINC001419772688	926500611	/nfs/dbraw/zinc/50/06/11/926500611.db2.gz	SEZIDLGQXGODAZ-LURJTMIESA-N	-1	1	303.344	-1.851	20	0		DAADMM
O=C(NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1)[C@]1(F)CCOC1	ZINC001420156719	926547365	/nfs/dbraw/zinc/54/73/65/926547365.db2.gz	PSGHWDYAWVUTRS-CPCISQLKSA-N	-1	1	303.294	-1.794	20	0		DAADMM
O=C(Cc1cscn1)NC[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001420177775	926553152	/nfs/dbraw/zinc/55/31/52/926553152.db2.gz	BOQNDAUFIPJCDL-MRVPVSSYSA-N	-1	1	312.355	-1.224	20	0		DAADMM
CN(CCNC(=O)C[C@@H]1CCCC(=O)N1)Cc1nc(=O)n(C)[n-]1	ZINC001420265720	926571779	/nfs/dbraw/zinc/57/17/79/926571779.db2.gz	DQCHTQHFBUHAGS-JTQLQIEISA-N	-1	1	324.385	-1.285	20	0		DAADMM
CCN(CCNC(=O)C[C@H]1CCC(=O)N1)Cc1nc(=O)n(C)[n-]1	ZINC001420428878	926592177	/nfs/dbraw/zinc/59/21/77/926592177.db2.gz	YFPXCNYVESEAAM-SNVBAGLBSA-N	-1	1	324.385	-1.285	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H]2CNC(=O)Cn2cncn2)nc1=O	ZINC001420497267	926596200	/nfs/dbraw/zinc/59/62/00/926596200.db2.gz	WUGSZWQXLRNZLX-JTQLQIEISA-N	-1	1	320.357	-1.519	20	0		DAADMM
CCn1ncc(C(=O)N[C@H](C)CN(C)Cc2nc(=O)n(C)[n-]2)n1	ZINC001420561537	926602360	/nfs/dbraw/zinc/60/23/60/926602360.db2.gz	NPLFTJUHWDPKEU-SECBINFHSA-N	-1	1	322.373	-1.030	20	0		DAADMM
Cc1nnc(CC(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)[nH]1	ZINC001420830536	926619782	/nfs/dbraw/zinc/61/97/82/926619782.db2.gz	ILSGSXUCEYKGBY-SECBINFHSA-N	-1	1	320.357	-1.532	20	0		DAADMM
Cc1nnc(CC(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)[nH]1	ZINC001420830540	926620074	/nfs/dbraw/zinc/62/00/74/926620074.db2.gz	ILSGSXUCEYKGBY-VIFPVBQESA-N	-1	1	320.357	-1.532	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001420855090	926620529	/nfs/dbraw/zinc/62/05/29/926620529.db2.gz	YGZQIOMZWUMZOU-DTWKUNHWSA-N	-1	1	310.358	-1.690	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001420855088	926620702	/nfs/dbraw/zinc/62/07/02/926620702.db2.gz	YGZQIOMZWUMZOU-BDAKNGLRSA-N	-1	1	310.358	-1.690	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001420855092	926622037	/nfs/dbraw/zinc/62/20/37/926622037.db2.gz	YGZQIOMZWUMZOU-RKDXNWHRSA-N	-1	1	310.358	-1.690	20	0		DAADMM
CS(=O)(=O)c1n[n-]c(NC(=O)CNC(=O)N2CCCC2)n1	ZINC001420871434	926622792	/nfs/dbraw/zinc/62/27/92/926622792.db2.gz	MNMZFHDXVVREEH-UHFFFAOYSA-N	-1	1	316.343	-1.048	20	0		DAADMM
CS(=O)(=O)c1nnc(NC(=O)CNC(=O)N2CCCC2)[n-]1	ZINC001420871434	926622795	/nfs/dbraw/zinc/62/27/95/926622795.db2.gz	MNMZFHDXVVREEH-UHFFFAOYSA-N	-1	1	316.343	-1.048	20	0		DAADMM
Cn1[n-]c(CNC2(CNC(=O)CS(C)(=O)=O)CC2)nc1=O	ZINC001420920684	926627006	/nfs/dbraw/zinc/62/70/06/926627006.db2.gz	YOXYEQPDHAHZKA-UHFFFAOYSA-N	-1	1	317.371	-2.109	20	0		DAADMM
CN(C(=O)CCn1cncn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001421051911	926637866	/nfs/dbraw/zinc/63/78/66/926637866.db2.gz	MLUIWOXVYJDCOM-UHFFFAOYSA-N	-1	1	320.357	-1.567	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001421068949	926641757	/nfs/dbraw/zinc/64/17/57/926641757.db2.gz	NZJITKYSWAXZGM-MRVPVSSYSA-N	-1	1	310.358	-1.738	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)CCn3ccnn3)C2)nc1=O	ZINC001421124325	926646845	/nfs/dbraw/zinc/64/68/45/926646845.db2.gz	GTVCHTNTQBCHSI-UHFFFAOYSA-N	-1	1	320.357	-1.662	20	0		DAADMM
COCCN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCS(=O)(=O)C1	ZINC001421653308	926742522	/nfs/dbraw/zinc/74/25/22/926742522.db2.gz	YIIGQKUQCHSEPY-VIFPVBQESA-N	-1	1	304.372	-1.256	20	0		DAADMM
C[C@H](C(=O)N(C)[C@@H](C)CNCc1n[nH]c(=O)[n-]1)S(C)(=O)=O	ZINC001421910275	926769552	/nfs/dbraw/zinc/76/95/52/926769552.db2.gz	IOCJMUYFTDYEDI-JGVFFNPUSA-N	-1	1	319.387	-1.120	20	0		DAADMM
C[C@H](CNC(=O)CCn1cnnn1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001422575303	926889106	/nfs/dbraw/zinc/88/91/06/926889106.db2.gz	TWQYIHZXJQMEFV-SECBINFHSA-N	-1	1	323.361	-1.878	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)Cn1ccccc1=O	ZINC001422598500	926892753	/nfs/dbraw/zinc/89/27/53/926892753.db2.gz	PGUURDRKVSEBHJ-SECBINFHSA-N	-1	1	306.326	-1.034	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1ncn(C)n1	ZINC001422795508	926917214	/nfs/dbraw/zinc/91/72/14/926917214.db2.gz	UAKSRDXLJDNCDX-QMMMGPOBSA-N	-1	1	308.346	-1.513	20	0		DAADMM
CCNC(=O)CCC(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001423076766	926942276	/nfs/dbraw/zinc/94/22/76/926942276.db2.gz	RYAJVZNCFIOZOH-SNVBAGLBSA-N	-1	1	324.385	-1.285	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)CN2CCOCC2)nc1=O	ZINC001423073490	926942420	/nfs/dbraw/zinc/94/24/20/926942420.db2.gz	JSAVLFDITPPLKZ-LLVKDONJSA-N	-1	1	324.385	-1.869	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)CCc2nnc[nH]2)nc1=O	ZINC001423085372	926945111	/nfs/dbraw/zinc/94/51/11/926945111.db2.gz	DNGSSZFGIIJLIN-VIFPVBQESA-N	-1	1	320.357	-1.450	20	0		DAADMM
Cc1nn(C)cc1C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001423192825	926960648	/nfs/dbraw/zinc/96/06/48/926960648.db2.gz	SLZUBKZNEYGQLQ-VIFPVBQESA-N	-1	1	323.357	-1.969	20	0		DAADMM
Cc1cc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)cnn1	ZINC001423208282	926970997	/nfs/dbraw/zinc/97/09/97/926970997.db2.gz	JTNYQHFSXXURAB-SNVBAGLBSA-N	-1	1	321.341	-1.913	20	0		DAADMM
CCn1ccnc1C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001423219110	926976121	/nfs/dbraw/zinc/97/61/21/926976121.db2.gz	ZSUWSSGOGJDHMU-VIFPVBQESA-N	-1	1	323.357	-1.795	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)C2CC3(CC3)C2)nc1=O	ZINC001423267642	927009709	/nfs/dbraw/zinc/00/97/09/927009709.db2.gz	MROQYYZTBVGRAT-JTQLQIEISA-N	-1	1	309.370	-1.135	20	0		DAADMM
CNC(=O)NCC(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001423348133	927033196	/nfs/dbraw/zinc/03/31/96/927033196.db2.gz	VEBZBZGGCAWRIK-JGVFFNPUSA-N	-1	1	311.346	-1.482	20	0		DAADMM
COC[C@H](C)C(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001423439388	927051320	/nfs/dbraw/zinc/05/13/20/927051320.db2.gz	VNWWSIUZIPTBBD-IUCAKERBSA-N	-1	1	301.347	-1.298	20	0		DAADMM
Cc1ccc(C(=O)N(C)C[C@@H](O)CNCc2n[nH]c(=O)[n-]2)nn1	ZINC001423448427	927054749	/nfs/dbraw/zinc/05/47/49/927054749.db2.gz	WJRPNYWJHZPYPH-VIFPVBQESA-N	-1	1	321.341	-1.169	20	0		DAADMM
COCCC(=O)N(C)C[C@H](O)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001423487549	927072069	/nfs/dbraw/zinc/07/20/69/927072069.db2.gz	HKSFLVVESVAMKQ-SNVBAGLBSA-N	-1	1	315.374	-1.604	20	0		DAADMM
COCCN(CCO)S(=O)(=O)c1cc(C(=O)OC)n[n-]1	ZINC001423742634	927108949	/nfs/dbraw/zinc/10/89/49/927108949.db2.gz	ATGARBRPHLVMCE-UHFFFAOYSA-N	-1	1	307.328	-1.174	20	0		DAADMM
COCCN(CCO)S(=O)(=O)c1cc(C(=O)OC)[n-]n1	ZINC001423742634	927108959	/nfs/dbraw/zinc/10/89/59/927108959.db2.gz	ATGARBRPHLVMCE-UHFFFAOYSA-N	-1	1	307.328	-1.174	20	0		DAADMM
C[C@H]1C[C@@H]1C(=O)NC[C@@]1(O)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001423769979	927118277	/nfs/dbraw/zinc/11/82/77/927118277.db2.gz	CDSRNOKHPHKXEO-BHDSKKPTSA-N	-1	1	309.370	-1.183	20	0		DAADMM
CC(=O)NCC(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001423799131	927129928	/nfs/dbraw/zinc/12/99/28/927129928.db2.gz	SMABWAIYRFZXNV-UHFFFAOYSA-N	-1	1	312.330	-3.093	20	0		DAADMM
CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)[C@H]1C[C@@H](C(=O)OC)C1	ZINC001423857363	927157115	/nfs/dbraw/zinc/15/71/15/927157115.db2.gz	UURSOAXJRGIOBS-HRDYMLBCSA-N	-1	1	309.340	-1.219	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H](CO)[C@H]2CCOC2)c(=O)[nH]c1=O	ZINC001423894553	927166246	/nfs/dbraw/zinc/16/62/46/927166246.db2.gz	KUJOKSYLTSPTIS-JGVFFNPUSA-N	-1	1	319.339	-1.838	20	0		DAADMM
Cc1nc[nH]c1C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001423916336	927173625	/nfs/dbraw/zinc/17/36/25/927173625.db2.gz	AGCIFFWPJPIKEZ-UHFFFAOYSA-N	-1	1	321.341	-1.883	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC2(O)CCOCC2)c(=O)[nH]c1=O	ZINC001423971012	927177139	/nfs/dbraw/zinc/17/71/39/927177139.db2.gz	OZBFFJZYIIRCGZ-UHFFFAOYSA-N	-1	1	319.339	-1.694	20	0		DAADMM
C[C@@H](C[S@@](C)=O)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001423954639	927177168	/nfs/dbraw/zinc/17/71/68/927177168.db2.gz	DDWJGMLRJNJCNT-AHGSNSTDSA-N	-1	1	309.369	-1.469	20	0		DAADMM
CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CC(=O)NCC(F)F	ZINC001424000276	927178656	/nfs/dbraw/zinc/17/86/56/927178656.db2.gz	QBVUQJJKEUSLMP-SFHVURJKSA-N	-1	1	322.359	-1.224	20	0		DAADMM
C[C@@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C	ZINC001423994902	927180120	/nfs/dbraw/zinc/18/01/20/927180120.db2.gz	BPAXMPRQKDNBQV-ROXHKKKXSA-N	-1	1	315.417	-1.065	20	0		DAADMM
Cn1[n-]c(CN2CCOC[C@@H]2CNC(=O)C(F)F)nc1=O	ZINC001424115987	927198534	/nfs/dbraw/zinc/19/85/34/927198534.db2.gz	VEIZBHWZCCBZNN-ZETCQYMHSA-N	-1	1	305.285	-1.310	20	0		DAADMM
COC(=O)[C@](C)(CO)[N-]S(=O)(=O)CCCS(C)(=O)=O	ZINC001424195248	927204883	/nfs/dbraw/zinc/20/48/83/927204883.db2.gz	FXFBJZGUFHAAMK-VIFPVBQESA-N	-1	1	317.385	-1.736	20	0		DAADMM
CC(C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001424224859	927211089	/nfs/dbraw/zinc/21/10/89/927211089.db2.gz	LTXPGKDKHACRMB-ZETCQYMHSA-N	-1	1	318.355	-1.323	20	0		DAADMM
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]CC(=O)N=S(C)(C)=O	ZINC001424245625	927213580	/nfs/dbraw/zinc/21/35/80/927213580.db2.gz	BNNSUJLKYQADRG-SSDOTTSWSA-N	-1	1	313.401	-1.363	20	0		DAADMM
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H](O)[C@@H]1CCCO1	ZINC001424386085	927230000	/nfs/dbraw/zinc/23/00/00/927230000.db2.gz	WSKUVRNLZGSRGB-SNFQMMDSSA-N	-1	1	315.417	-1.065	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC[C@H](O)C2CC2)c(=O)[nH]c1=O	ZINC001424876484	927260590	/nfs/dbraw/zinc/26/05/90/927260590.db2.gz	GZBMCQAIQAJISL-QMMMGPOBSA-N	-1	1	303.340	-1.075	20	0		DAADMM
CC(=O)N(C)CC(=O)NC[C@@H](C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001424903081	927261780	/nfs/dbraw/zinc/26/17/80/927261780.db2.gz	SOIYOGACHNRRMA-SECBINFHSA-N	-1	1	312.374	-1.477	20	0		DAADMM
CCS(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001424860577	927262231	/nfs/dbraw/zinc/26/22/31/927262231.db2.gz	SQRXIKQCVJUKBE-SFYZADRCSA-N	-1	1	319.387	-1.072	20	0		DAADMM
C[C@@H](CNC(=O)[C@H]1COC(=O)N1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001424926901	927264482	/nfs/dbraw/zinc/26/44/82/927264482.db2.gz	GGYZKZATTHTWSY-JGVFFNPUSA-N	-1	1	312.330	-1.847	20	0		DAADMM
C[C@H](CNC(=O)Cn1ncnn1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001424946006	927266180	/nfs/dbraw/zinc/26/61/80/927266180.db2.gz	YWLFRGFGFGYWKV-MRVPVSSYSA-N	-1	1	309.334	-2.268	20	0		DAADMM
CCOCC(=O)NC[C@@H](CO)NCc1cc(=O)n2[n-]ccc2n1	ZINC001425701953	927403083	/nfs/dbraw/zinc/40/30/83/927403083.db2.gz	AMFZOZUHXKAEGX-NSHDSACASA-N	-1	1	323.353	-1.374	20	0		DAADMM
Cc1nc(C)c(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)o1	ZINC001425733003	927412993	/nfs/dbraw/zinc/41/29/93/927412993.db2.gz	LDYKNONLPLYTKE-SECBINFHSA-N	-1	1	324.341	-1.406	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)C[C@H]2CCOC2)nc1=O	ZINC001425731448	927413638	/nfs/dbraw/zinc/41/36/38/927413638.db2.gz	JKMLBWQYYSYZOR-ZJUUUORDSA-N	-1	1	313.358	-1.898	20	0		DAADMM
CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001425974834	927491096	/nfs/dbraw/zinc/49/10/96/927491096.db2.gz	FVNFWMAWAMNJGD-DTWKUNHWSA-N	-1	1	301.347	-1.156	20	0		DAADMM
CC[C@@H](OC)C(=O)N(C)C[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001425980313	927493767	/nfs/dbraw/zinc/49/37/67/927493767.db2.gz	JEHXLTBWPKRNAO-RKDXNWHRSA-N	-1	1	301.347	-1.156	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)[C@]12C[C@H]1COC2	ZINC001426022579	927509234	/nfs/dbraw/zinc/50/92/34/927509234.db2.gz	ZUBDLXVYSWXOND-RVBZMBCESA-N	-1	1	311.342	-1.544	20	0		DAADMM
COCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001426387750	927542609	/nfs/dbraw/zinc/54/26/09/927542609.db2.gz	UNVJLJCSHKIWJI-YUMQZZPRSA-N	-1	1	322.325	-1.313	20	0		DAADMM
O=C(NC[C@@H](CO)NC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1ncccc1[O-]	ZINC001427789676	927667631	/nfs/dbraw/zinc/66/76/31/927667631.db2.gz	LEAZVYCBFUXNOV-UXCLJVHYSA-N	-1	1	321.333	-1.114	20	0		DAADMM
O=C(NC[C@H](CO)NC(=O)C1=COCCO1)c1ncccc1[O-]	ZINC001427790898	927668373	/nfs/dbraw/zinc/66/83/73/927668373.db2.gz	NUGWLVLCFBNMFP-SECBINFHSA-N	-1	1	323.305	-1.118	20	0		DAADMM
CNC(=O)NCC(=O)N(C)CCNC(=O)c1ncccc1[O-]	ZINC001429225548	927848820	/nfs/dbraw/zinc/84/88/20/927848820.db2.gz	LVMXMQAGRHLMGP-UHFFFAOYSA-N	-1	1	309.326	-1.096	20	0		DAADMM
NC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1	ZINC001430091842	927910687	/nfs/dbraw/zinc/91/06/87/927910687.db2.gz	YDDAWQXNACJCQA-QMMMGPOBSA-N	-1	1	307.310	-1.214	20	0		DAADMM
CN(CCNC(=O)[C@H]1CCCN1C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001431175789	928000508	/nfs/dbraw/zinc/00/05/08/928000508.db2.gz	IABXFTNPUXCRHO-MRVPVSSYSA-N	-1	1	324.341	-1.435	20	0		DAADMM
CN(CCNC(=O)c1ncccc1[O-])C(=O)[C@@H]1CN(C)C(=O)N1	ZINC001431205922	928003278	/nfs/dbraw/zinc/00/32/78/928003278.db2.gz	QRGHNXJLDPISAJ-VIFPVBQESA-N	-1	1	321.337	-1.001	20	0		DAADMM
CN(CCNC(=O)c1ncccc1[O-])C(=O)[C@H]1CN(C)C(=O)N1	ZINC001431205918	928003402	/nfs/dbraw/zinc/00/34/02/928003402.db2.gz	QRGHNXJLDPISAJ-SECBINFHSA-N	-1	1	321.337	-1.001	20	0		DAADMM
COCC(=O)N[C@H](C)CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001433339496	928218260	/nfs/dbraw/zinc/21/82/60/928218260.db2.gz	APBVRTDQWFTVIU-SSDOTTSWSA-N	-1	1	308.298	-1.702	20	0		DAADMM
NC(=O)c1ncccc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001433662696	928249944	/nfs/dbraw/zinc/24/99/44/928249944.db2.gz	HBAGOZMNBQAYMV-QMMMGPOBSA-N	-1	1	303.282	-1.093	20	0		DAADMM
CN1CCN(C)[C@@H](CNC(=O)CSc2n[nH]c(=O)[n-]2)C1	ZINC001433694606	928253564	/nfs/dbraw/zinc/25/35/64/928253564.db2.gz	MUGDVZSRCVVEEL-QMMMGPOBSA-N	-1	1	300.388	-1.036	20	0		DAADMM
CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CCc1nn[n-]n1	ZINC001433759373	928261729	/nfs/dbraw/zinc/26/17/29/928261729.db2.gz	XRDIOGWTEUIXNN-QMMMGPOBSA-N	-1	1	302.360	-1.328	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](CN2CCOCC2)C1	ZINC001433787759	928263954	/nfs/dbraw/zinc/26/39/54/928263954.db2.gz	BHCFDDNNVPQHTI-SNVBAGLBSA-N	-1	1	311.342	-1.130	20	0		DAADMM
C[C@@H](CN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)c1nn[n-]n1	ZINC001433889271	928276816	/nfs/dbraw/zinc/27/68/16/928276816.db2.gz	DOGPYMRBWBMKFV-BQBZGAKWSA-N	-1	1	316.343	-2.325	20	0		DAADMM
O=C(CCc1nn[n-]n1)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21	ZINC001434063346	928298177	/nfs/dbraw/zinc/29/81/77/928298177.db2.gz	HVCHXLPJGBTOGB-IUCAKERBSA-N	-1	1	315.355	-1.453	20	0		DAADMM
CNC(=O)NCC(=O)N1CC(N(C)C(=O)c2ncccc2[O-])C1	ZINC001434061551	928298799	/nfs/dbraw/zinc/29/87/99/928298799.db2.gz	SZLKFQZABQQGIY-UHFFFAOYSA-N	-1	1	321.337	-1.001	20	0		DAADMM
O=C(CCc1nn[n-]n1)N1CCS(=O)(=O)[C@H]2COCC[C@H]21	ZINC001434063332	928298872	/nfs/dbraw/zinc/29/88/72/928298872.db2.gz	HVCHXLPJGBTOGB-BDAKNGLRSA-N	-1	1	315.355	-1.453	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N1CCC(O)(CO)CC1	ZINC001434162474	928311815	/nfs/dbraw/zinc/31/18/15/928311815.db2.gz	MPGKFGUJKRCANC-UHFFFAOYSA-N	-1	1	309.322	-1.137	20	0		DAADMM
CC(C)OCCS(=O)(=O)NCC(=O)N(C)c1nn[n-]n1	ZINC001434232015	928319005	/nfs/dbraw/zinc/31/90/05/928319005.db2.gz	OBGQVGCHHNWMAA-UHFFFAOYSA-N	-1	1	306.348	-1.493	20	0		DAADMM
CSc1ncc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c(=O)[n-]1	ZINC001434246180	928320134	/nfs/dbraw/zinc/32/01/34/928320134.db2.gz	IAUMGHODCXCMAS-RNFRBKRXSA-N	-1	1	319.364	-1.208	20	0		DAADMM
CC(=O)NCC(=O)N1CCCN(C(=O)c2cnncc2[O-])CC1	ZINC001434275548	928324220	/nfs/dbraw/zinc/32/42/20/928324220.db2.gz	IWFNSLHBFNHPBD-UHFFFAOYSA-N	-1	1	321.337	-1.007	20	0		DAADMM
CS(=O)(=O)CCCC(=O)Nc1nc(S(C)(=O)=O)n[n-]1	ZINC001434427772	928352673	/nfs/dbraw/zinc/35/26/73/928352673.db2.gz	GJJGGKCQUAOYCH-UHFFFAOYSA-N	-1	1	310.357	-1.029	20	0		DAADMM
CS(=O)(=O)CCCC(=O)Nc1nnc(S(C)(=O)=O)[n-]1	ZINC001434427772	928352686	/nfs/dbraw/zinc/35/26/86/928352686.db2.gz	GJJGGKCQUAOYCH-UHFFFAOYSA-N	-1	1	310.357	-1.029	20	0		DAADMM
COC[C@@](C)(O)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC	ZINC001434547669	928363649	/nfs/dbraw/zinc/36/36/49/928363649.db2.gz	IAJHEOQYPZIIAC-JTQLQIEISA-N	-1	1	307.328	-1.128	20	0		DAADMM
CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)CCN1CCOC1=O	ZINC001434566438	928364777	/nfs/dbraw/zinc/36/47/77/928364777.db2.gz	QNLQGHRHURJMLO-MRVPVSSYSA-N	-1	1	310.328	-1.718	20	0		DAADMM
COC[C@H](O)CCNS(=O)(=O)c1cc(C(=O)OC)n[n-]1	ZINC001434560641	928364861	/nfs/dbraw/zinc/36/48/61/928364861.db2.gz	FFXDXSTYUHIYRO-SSDOTTSWSA-N	-1	1	307.328	-1.128	20	0		DAADMM
COC[C@H](O)CCNS(=O)(=O)c1cc(C(=O)OC)[n-]n1	ZINC001434560641	928364875	/nfs/dbraw/zinc/36/48/75/928364875.db2.gz	FFXDXSTYUHIYRO-SSDOTTSWSA-N	-1	1	307.328	-1.128	20	0		DAADMM
CO[C@@](C)(CO)C[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C	ZINC001434580667	928370004	/nfs/dbraw/zinc/37/00/04/928370004.db2.gz	WOVNFSXNOFKCEP-CQLKUDPESA-N	-1	1	303.406	-1.207	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2C(=O)NCC2(C)C)c(=O)[nH]c1=O	ZINC001434582866	928370101	/nfs/dbraw/zinc/37/01/01/928370101.db2.gz	GAKCZCFZJHFFTK-ZETCQYMHSA-N	-1	1	316.339	-1.711	20	0		DAADMM
CCOC(=O)[C@H](COC)[N-]S(=O)(=O)N1CCN(C)CC1	ZINC001434616105	928371305	/nfs/dbraw/zinc/37/13/05/928371305.db2.gz	NABQRVTZMINSMG-JTQLQIEISA-N	-1	1	309.388	-1.354	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2COCC[C@H]2O)c(=O)n(C)c1=O	ZINC001434615429	928371675	/nfs/dbraw/zinc/37/16/75/928371675.db2.gz	ZJQIKJSYBINFAR-HTQZYQBOSA-N	-1	1	319.339	-2.488	20	0		DAADMM
CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001437256430	928442112	/nfs/dbraw/zinc/44/21/12/928442112.db2.gz	DULGELZVXBXPET-MRVPVSSYSA-N	-1	1	319.387	-1.072	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@]3(C)CCC(=O)N3)C2)nc1=O	ZINC001438136623	928501346	/nfs/dbraw/zinc/50/13/46/928501346.db2.gz	IAVJPDBZQINIKS-AWEZNQCLSA-N	-1	1	322.369	-1.675	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@H]1CCC(=O)N1	ZINC001439314419	928612948	/nfs/dbraw/zinc/61/29/48/928612948.db2.gz	QRGYWTNDUTYQDW-RKDXNWHRSA-N	-1	1	310.358	-1.677	20	0		DAADMM
CC(C)[C@@H](F)C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001440065890	928686152	/nfs/dbraw/zinc/68/61/52/928686152.db2.gz	ATCVZSLFIBAHJZ-SNVBAGLBSA-N	-1	1	315.349	-1.235	20	0		DAADMM
Cc1coc(C(=O)NCC2(O)CN(Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC001440062866	928686526	/nfs/dbraw/zinc/68/65/26/928686526.db2.gz	FSIRRGBCQQTQSP-UHFFFAOYSA-N	-1	1	321.337	-1.013	20	0		DAADMM
CC(=O)NCC(=O)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001440364996	928715356	/nfs/dbraw/zinc/71/53/56/928715356.db2.gz	XEWRGSOHZXANTC-VIFPVBQESA-N	-1	1	312.330	-2.037	20	0		DAADMM
CC(=O)NCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H](C)C1	ZINC001440641115	928736983	/nfs/dbraw/zinc/73/69/83/928736983.db2.gz	XXSKKUUYVJIZOO-ONGXEEELSA-N	-1	1	324.385	-1.286	20	0		DAADMM
Cn1[n-]c(CN2CCC(CO)(NC(=O)C(F)F)CC2)nc1=O	ZINC001440688642	928737592	/nfs/dbraw/zinc/73/75/92/928737592.db2.gz	XWXZUOLUSHTWMX-UHFFFAOYSA-N	-1	1	319.312	-1.183	20	0		DAADMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)C1CS(=O)(=O)C1	ZINC001440818122	928744868	/nfs/dbraw/zinc/74/48/68/928744868.db2.gz	ZRLLRFHDRSUFKL-RQJHMYQMSA-N	-1	1	317.371	-1.462	20	0		DAADMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)CS(C)(=O)=O	ZINC001440785083	928746299	/nfs/dbraw/zinc/74/62/99/928746299.db2.gz	XQJHUHBZDHJHHX-RQJHMYQMSA-N	-1	1	305.360	-1.462	20	0		DAADMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)c1cc(=O)n(C)cn1	ZINC001440809729	928746784	/nfs/dbraw/zinc/74/67/84/928746784.db2.gz	SSMSWFJARYBMSE-SFYZADRCSA-N	-1	1	321.341	-1.099	20	0		DAADMM
C[C@@H](NC(=O)c1ccc(=O)n(C)n1)[C@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001440856904	928749781	/nfs/dbraw/zinc/74/97/81/928749781.db2.gz	HTSNNCZPTWAJQC-JGVFFNPUSA-N	-1	1	321.341	-1.099	20	0		DAADMM
C[C@H](CNC(=O)c1c[nH]c(=O)n1C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001440956673	928751979	/nfs/dbraw/zinc/75/19/79/928751979.db2.gz	RBKIHPXZFDFFNV-MRVPVSSYSA-N	-1	1	323.357	-1.202	20	0		DAADMM
Cn1nncc1C(=O)NC[C@H](NCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001441200579	928773750	/nfs/dbraw/zinc/77/37/50/928773750.db2.gz	DFFHWPWSBNEBEH-QMMMGPOBSA-N	-1	1	306.330	-1.063	20	0		DAADMM
C[C@H](CNC(=O)CCS(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001441850901	928874019	/nfs/dbraw/zinc/87/40/19/928874019.db2.gz	DXTRZDOJQMFTEA-SSDOTTSWSA-N	-1	1	305.360	-1.461	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)C[C@@H]1CCOC1	ZINC001441957046	928885415	/nfs/dbraw/zinc/88/54/15/928885415.db2.gz	GOGPEAJROIYVTQ-UWVGGRQHSA-N	-1	1	313.358	-1.154	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1cn(C)cn1	ZINC001441968681	928892448	/nfs/dbraw/zinc/89/24/48/928892448.db2.gz	FRFUTUJYXBZHQV-QMMMGPOBSA-N	-1	1	309.330	-1.534	20	0		DAADMM
CCn1nccc1C(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001441968144	928892562	/nfs/dbraw/zinc/89/25/62/928892562.db2.gz	GXRXQULEPLFJJJ-VIFPVBQESA-N	-1	1	323.357	-1.051	20	0		DAADMM
C[C@H](CNC(=O)CCn1cnccc1=O)NCc1n[nH]c(=O)[n-]1	ZINC001441974946	928894295	/nfs/dbraw/zinc/89/42/95/928894295.db2.gz	CCGRYPFJLPCJTH-SECBINFHSA-N	-1	1	321.341	-1.248	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCCOC1	ZINC001441973443	928895457	/nfs/dbraw/zinc/89/54/57/928895457.db2.gz	WIIYETYGAAZHQV-NXEZZACHSA-N	-1	1	313.358	-1.154	20	0		DAADMM
CO[C@@H](C(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001442001414	928904688	/nfs/dbraw/zinc/90/46/88/928904688.db2.gz	TUQCBWGOXHAXCA-GXSJLCMTSA-N	-1	1	313.358	-1.156	20	0		DAADMM
CN(CCNC(=O)CNC(=O)C1CC1)Cc1nc(=O)n(C)[n-]1	ZINC001442365685	928940944	/nfs/dbraw/zinc/94/09/44/928940944.db2.gz	PEBOQQJULQLBPM-UHFFFAOYSA-N	-1	1	310.358	-1.817	20	0		DAADMM
O=C(CCn1cnccc1=O)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001443448663	929005394	/nfs/dbraw/zinc/00/53/94/929005394.db2.gz	KMAQPVCXIGPNPP-VIFPVBQESA-N	-1	1	305.298	-1.253	20	0		DAADMM
Cn1cc(CC(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC001443567912	929015170	/nfs/dbraw/zinc/01/51/70/929015170.db2.gz	DHLDIVOKQYAUFP-UHFFFAOYSA-N	-1	1	319.369	-1.367	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)Cc3ncc[nH]3)C2)nc1=O	ZINC001443628131	929018150	/nfs/dbraw/zinc/01/81/50/929018150.db2.gz	LTPDNADMRJNCPM-UHFFFAOYSA-N	-1	1	305.342	-1.378	20	0		DAADMM
O=C(N[C@@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1ncccc1[O-]	ZINC001444274874	929100849	/nfs/dbraw/zinc/10/08/49/929100849.db2.gz	MQQPGMDIIXFJJE-SVDPJWKOSA-N	-1	1	321.333	-1.114	20	0		DAADMM
CN1C(=O)NC2(CCN(C(=O)CCc3nn[n-]n3)CC2)C1=O	ZINC001444498102	929128405	/nfs/dbraw/zinc/12/84/05/929128405.db2.gz	DLYQKXMQLSNHMU-UHFFFAOYSA-N	-1	1	307.314	-1.325	20	0		DAADMM
CC(C)(C)OCC(=O)NC[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001445151745	929168228	/nfs/dbraw/zinc/16/82/28/929168228.db2.gz	PJVNCUVXQGOVEZ-MRVPVSSYSA-N	-1	1	301.347	-1.108	20	0		DAADMM
CN1CCO[C@H](C(=O)NC[C@H](O)CNCc2n[nH]c(=O)[n-]2)C1	ZINC001445164470	929173615	/nfs/dbraw/zinc/17/36/15/929173615.db2.gz	VVDVOHQIGZHNME-BDAKNGLRSA-N	-1	1	314.346	-2.592	20	0		DAADMM
CN1CCO[C@@H](C(=O)NC[C@H](O)CNCc2n[nH]c(=O)[n-]2)C1	ZINC001445164509	929173964	/nfs/dbraw/zinc/17/39/64/929173964.db2.gz	VVDVOHQIGZHNME-RKDXNWHRSA-N	-1	1	314.346	-2.592	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)CN1CCOCC1=O	ZINC001445568134	929236184	/nfs/dbraw/zinc/23/61/84/929236184.db2.gz	BOXNDMIAVZAFFW-QMMMGPOBSA-N	-1	1	312.330	-2.037	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@@H](C)n1cncn1	ZINC001445715179	929253533	/nfs/dbraw/zinc/25/35/33/929253533.db2.gz	WYGBHYCYHLBPTN-NXEZZACHSA-N	-1	1	322.373	-1.102	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@H]1CCC(=O)N1C	ZINC001445787144	929257105	/nfs/dbraw/zinc/25/71/05/929257105.db2.gz	RNMXKTAHULBZFH-VHSXEESVSA-N	-1	1	324.385	-1.334	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1c[nH]c(=O)n1C	ZINC001445783553	929257882	/nfs/dbraw/zinc/25/78/82/929257882.db2.gz	HBAUUFCAEYRHDO-MRVPVSSYSA-N	-1	1	323.357	-1.202	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1nnn(C)n1	ZINC001445786679	929258041	/nfs/dbraw/zinc/25/80/41/929258041.db2.gz	LQKJIGOTSVCCBX-SSDOTTSWSA-N	-1	1	309.334	-2.118	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1nnn(C)n1	ZINC001445786710	929258289	/nfs/dbraw/zinc/25/82/89/929258289.db2.gz	LQKJIGOTSVCCBX-ZETCQYMHSA-N	-1	1	309.334	-2.118	20	0		DAADMM
Cn1cc(C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)nn1	ZINC001445941727	929264445	/nfs/dbraw/zinc/26/44/45/929264445.db2.gz	PAMYAVRJVJRSPS-MRVPVSSYSA-N	-1	1	306.330	-1.063	20	0		DAADMM
CN1C[C@@H](C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)NC1=O	ZINC001445962778	929264507	/nfs/dbraw/zinc/26/45/07/929264507.db2.gz	ULWCIONZXWEYCB-BDAKNGLRSA-N	-1	1	323.357	-1.482	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](O)(CNC(=O)CCCF)C2)nc1=O	ZINC001446773988	929320333	/nfs/dbraw/zinc/32/03/33/929320333.db2.gz	OZWJWKCNFDEHSQ-ZDUSSCGKSA-N	-1	1	315.349	-1.089	20	0		DAADMM
Cc1ccc(C(=O)NCC2(O)CN(Cc3nc(=O)n(C)[n-]3)C2)o1	ZINC001446810208	929326109	/nfs/dbraw/zinc/32/61/09/929326109.db2.gz	AHMBTDFVQHOFTN-UHFFFAOYSA-N	-1	1	321.337	-1.013	20	0		DAADMM
CC(C)OCC(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001446830489	929331420	/nfs/dbraw/zinc/33/14/20/929331420.db2.gz	CHIHYXWKZCXHEP-UHFFFAOYSA-N	-1	1	313.358	-1.804	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)C3CC4(CC4)C3)C2)nc1=O	ZINC001446873275	929343696	/nfs/dbraw/zinc/34/36/96/929343696.db2.gz	FHZASVBVBCQZBT-UHFFFAOYSA-N	-1	1	321.381	-1.039	20	0		DAADMM
O=C(CCN1CCOC1=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001448340428	929448681	/nfs/dbraw/zinc/44/86/81/929448681.db2.gz	DJOUPZXJLVFIDP-UHFFFAOYSA-N	-1	1	310.314	-1.148	20	0		DAADMM
O=C(N1CCC(O)(c2nn[n-]n2)CC1)C1(N2CCOCC2)CC1	ZINC001448345883	929449186	/nfs/dbraw/zinc/44/91/86/929449186.db2.gz	LLRRHZAECXEQGH-UHFFFAOYSA-N	-1	1	322.369	-1.126	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N[C@@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001448338720	929449451	/nfs/dbraw/zinc/44/94/51/929449451.db2.gz	OPHPZIMYYQPRLH-BDAKNGLRSA-N	-1	1	324.385	-1.444	20	0		DAADMM
O=C(CCCc1nn[n-]n1)N1CCC[C@@]2(C1)NC(=O)NC2=O	ZINC001448797226	929473434	/nfs/dbraw/zinc/47/34/34/929473434.db2.gz	UHPUMQCNMGENSH-LBPRGKRZSA-N	-1	1	307.314	-1.277	20	0		DAADMM
Cc1ccncc1C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001448831777	929486232	/nfs/dbraw/zinc/48/62/32/929486232.db2.gz	MEACYKBSEHMRBP-JTQLQIEISA-N	-1	1	320.353	-1.308	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)C2C=CC=CC=C2)nc1=O	ZINC001448848929	929495387	/nfs/dbraw/zinc/49/53/87/929495387.db2.gz	PBGTWJSNTRDPTG-GFCCVEGCSA-N	-1	1	319.365	-1.027	20	0		DAADMM
Cc1ncc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)n1C	ZINC001448891202	929509268	/nfs/dbraw/zinc/50/92/68/929509268.db2.gz	FSRWDCDIOVCHJS-SECBINFHSA-N	-1	1	323.357	-1.969	20	0		DAADMM
Cc1c[nH]cc1C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001448950253	929525837	/nfs/dbraw/zinc/52/58/37/929525837.db2.gz	YYEHHWDZICGNBH-SECBINFHSA-N	-1	1	308.342	-1.375	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1cnns1	ZINC001449096757	929539200	/nfs/dbraw/zinc/53/92/00/929539200.db2.gz	RTHCOEXUBSPNFW-ZCFIWIBFSA-N	-1	1	313.343	-1.416	20	0		DAADMM
CN(C[C@@H](O)CNCc1nnn(C)n1)C(=O)c1ncccc1[O-]	ZINC001449116989	929545039	/nfs/dbraw/zinc/54/50/39/929545039.db2.gz	VQUHYHJQFATARW-VIFPVBQESA-N	-1	1	321.341	-1.467	20	0		DAADMM
Cc1ccnn1CC(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001449144435	929552677	/nfs/dbraw/zinc/55/26/77/929552677.db2.gz	GOPUZIQMMHZUHP-JTQLQIEISA-N	-1	1	323.357	-1.376	20	0		DAADMM
CNS(=O)(=O)N1CCN(C(=O)c2cnncc2[O-])CC1	ZINC001449407961	929583991	/nfs/dbraw/zinc/58/39/91/929583991.db2.gz	BZNKDVCBLDMLMR-UHFFFAOYSA-N	-1	1	301.328	-1.596	20	0		DAADMM
CCO[C@@H](C)C(=O)NCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001522533594	929676912	/nfs/dbraw/zinc/67/69/12/929676912.db2.gz	TZVHNGLVEIGGGK-QMMMGPOBSA-N	-1	1	322.325	-1.311	20	0		DAADMM
CCO[C@H](C)C(=O)NCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001522533401	929677251	/nfs/dbraw/zinc/67/72/51/929677251.db2.gz	TZVHNGLVEIGGGK-MRVPVSSYSA-N	-1	1	322.325	-1.311	20	0		DAADMM
CCOCCC(=O)NCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001522555214	929679947	/nfs/dbraw/zinc/67/99/47/929679947.db2.gz	RXAVMEFTPKTUKP-UHFFFAOYSA-N	-1	1	322.325	-1.310	20	0		DAADMM
O=C(C[C@H]1CC(=O)NC1=O)NCCNC(=O)c1ncccc1[O-]	ZINC001522597942	929683807	/nfs/dbraw/zinc/68/38/07/929683807.db2.gz	QWAVTQDXXAEZGV-QMMMGPOBSA-N	-1	1	320.305	-1.314	20	0		DAADMM
C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC001548690962	930038170	/nfs/dbraw/zinc/03/81/70/930038170.db2.gz	JPMPXKJXGOTNBZ-NXEZZACHSA-N	-1	1	318.399	-2.043	20	0		DAADMM
C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC001548690962	930038178	/nfs/dbraw/zinc/03/81/78/930038178.db2.gz	JPMPXKJXGOTNBZ-NXEZZACHSA-N	-1	1	318.399	-2.043	20	0		DAADMM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@H]2OCCN[C@@H]2C1	ZINC001549044808	930048324	/nfs/dbraw/zinc/04/83/24/930048324.db2.gz	JKTWEEKVSMIRSV-GHMZBOCLSA-N	-1	1	318.337	-1.340	20	0		DAADMM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CC[C@@H]2OCCN[C@@H]2C1	ZINC001549044809	930048835	/nfs/dbraw/zinc/04/88/35/930048835.db2.gz	JKTWEEKVSMIRSV-MNOVXSKESA-N	-1	1	318.337	-1.340	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1	ZINC001556694058	930081420	/nfs/dbraw/zinc/08/14/20/930081420.db2.gz	QGHKYZMQQGAJJT-OCAPTIKFSA-N	-1	1	318.289	-1.752	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N[C@H](CO)[C@H]1CCCOC1	ZINC001557019615	930081804	/nfs/dbraw/zinc/08/18/04/930081804.db2.gz	ALGKPOWPPJIURF-WDEREUQCSA-N	-1	1	311.338	-1.170	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCCNC(=O)NC)o1	ZINC001557142357	930082422	/nfs/dbraw/zinc/08/24/22/930082422.db2.gz	QCTSNYHKCHGZHI-UHFFFAOYSA-N	-1	1	304.328	-1.154	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCCn1cc(CO)nn1	ZINC001556907007	930082650	/nfs/dbraw/zinc/08/26/50/930082650.db2.gz	AGXQWPRRZWGNST-UHFFFAOYSA-N	-1	1	322.325	-1.783	20	0		DAADMM
O=C(Cn1nnnc1-c1ccccc1)NN1CC(=O)[N-]C1=O	ZINC001558909339	930090412	/nfs/dbraw/zinc/09/04/12/930090412.db2.gz	CBXVPMBWSLCTKR-UHFFFAOYSA-N	-1	1	301.266	-1.077	20	0		DAADMM
COCCN1CC[C@@H](NC(=O)C(=O)N(C)CCC(=O)[O-])C1	ZINC001611012112	970846289	/nfs/dbraw/zinc/84/62/89/970846289.db2.gz	DWVVYYATCGWZJY-SNVBAGLBSA-N	-1	1	301.343	-1.244	20	0		DAADMM
CC(=O)NCC(=O)N(C)CCNc1nccnc1-c1nnn[n-]1	ZINC001573499894	946372663	/nfs/dbraw/zinc/37/26/63/946372663.db2.gz	HCSXDXBOMPXTGF-UHFFFAOYSA-N	-1	1	319.329	-1.337	20	0		DAADMM
CC(=O)NCC(=O)N(C)CCNc1nccnc1-c1nn[n-]n1	ZINC001573499894	946372672	/nfs/dbraw/zinc/37/26/72/946372672.db2.gz	HCSXDXBOMPXTGF-UHFFFAOYSA-N	-1	1	319.329	-1.337	20	0		DAADMM
CC(=O)NCC(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1	ZINC001573514585	946530658	/nfs/dbraw/zinc/53/06/58/946530658.db2.gz	AQVSADUNZQFOCM-SSDOTTSWSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1	ZINC001573514585	946530663	/nfs/dbraw/zinc/53/06/63/946530663.db2.gz	AQVSADUNZQFOCM-SSDOTTSWSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1	ZINC001573520532	946598455	/nfs/dbraw/zinc/59/84/55/946598455.db2.gz	IZHRMORYXRXUEK-UHFFFAOYSA-N	-1	1	319.329	-1.655	20	0		DAADMM
CC(=O)NCC(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1	ZINC001573520532	946598459	/nfs/dbraw/zinc/59/84/59/946598459.db2.gz	IZHRMORYXRXUEK-UHFFFAOYSA-N	-1	1	319.329	-1.655	20	0		DAADMM
CC(=O)NCCN1CCN(c2cncc(-c3nnn[n-]3)n2)CC1	ZINC001573530406	946695372	/nfs/dbraw/zinc/69/53/72/946695372.db2.gz	ZCDSCVOFXFQGRM-UHFFFAOYSA-N	-1	1	317.357	-1.085	20	0		DAADMM
CC(=O)NCCN1CCN(c2cncc(-c3nn[n-]n3)n2)CC1	ZINC001573530406	946695380	/nfs/dbraw/zinc/69/53/80/946695380.db2.gz	ZCDSCVOFXFQGRM-UHFFFAOYSA-N	-1	1	317.357	-1.085	20	0		DAADMM
C[C@H](C(=O)N(C)CCn1cnnc1)n1cnc(-c2nn[n-]n2)n1	ZINC001573605351	947528694	/nfs/dbraw/zinc/52/86/94/947528694.db2.gz	WPCYSZUNGOYYMM-MRVPVSSYSA-N	-1	1	317.317	-1.231	20	0		DAADMM
C[C@@H](C(=O)N(C)CCn1cnnc1)n1cnc(-c2nn[n-]n2)n1	ZINC001573605352	947530135	/nfs/dbraw/zinc/53/01/35/947530135.db2.gz	WPCYSZUNGOYYMM-QMMMGPOBSA-N	-1	1	317.317	-1.231	20	0		DAADMM
C[C@@H](C(=O)N1CCCNC(=O)[C@@H]1C)n1cnc(-c2nn[n-]n2)n1	ZINC001573637904	947827707	/nfs/dbraw/zinc/82/77/07/947827707.db2.gz	VJCGWMHOFWNIQM-YUMQZZPRSA-N	-1	1	319.329	-1.244	20	0		DAADMM
C[C@H](C(=O)N1CCCNC(=O)[C@@H]1C)n1cnc(-c2nn[n-]n2)n1	ZINC001573637903	947827853	/nfs/dbraw/zinc/82/78/53/947827853.db2.gz	VJCGWMHOFWNIQM-JGVFFNPUSA-N	-1	1	319.329	-1.244	20	0		DAADMM
C[C@@H](C(=O)N1C[C@@H](CO)[C@H](CO)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573647847	947903746	/nfs/dbraw/zinc/90/37/46/947903746.db2.gz	UOGCMYDOLBUNTA-CIUDSAMLSA-N	-1	1	322.329	-1.922	20	0		DAADMM
C[C@H](C(=O)N[C@H](CO)[C@H]1CCOC1)n1cnc(-c2nn[n-]n2)n1	ZINC001573654488	947968368	/nfs/dbraw/zinc/96/83/68/947968368.db2.gz	RMRBELOLUAZWDG-HRDYMLBCSA-N	-1	1	322.329	-1.467	20	0		DAADMM
C[C@H](C(=O)N[C@@]1(C(N)=O)CCOC1)n1cnc(-c2nn[n-]n2)n1	ZINC001573656505	947990356	/nfs/dbraw/zinc/99/03/56/947990356.db2.gz	HHDWOLIZRFFZCL-KBUNVGBDSA-N	-1	1	321.301	-2.220	20	0		DAADMM
C[C@H](C(=O)N[C@]1(C)CCNC1=O)n1cnc(-c2nn[n-]n2)n1	ZINC001573656892	947994705	/nfs/dbraw/zinc/99/47/05/947994705.db2.gz	JNJZLIIWAJEKNR-KSBSHMNSSA-N	-1	1	305.302	-1.586	20	0		DAADMM
C[C@@H](C(=O)N[C@]1(C)CCNC1=O)n1cnc(-c2nn[n-]n2)n1	ZINC001573656893	947995046	/nfs/dbraw/zinc/99/50/46/947995046.db2.gz	JNJZLIIWAJEKNR-UPONEAKYSA-N	-1	1	305.302	-1.586	20	0		DAADMM
C[C@@H](C(=O)N[C@H]1C(=O)NCC1(C)C)n1cnc(-c2nn[n-]n2)n1	ZINC001573664369	948052838	/nfs/dbraw/zinc/05/28/38/948052838.db2.gz	UTXOAEYGVJCBLC-BQBZGAKWSA-N	-1	1	319.329	-1.340	20	0		DAADMM
C[C@H](C(=O)NC1CC(CO)(CO)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573664666	948057816	/nfs/dbraw/zinc/05/78/16/948057816.db2.gz	WJEMKSUEEFTEFT-SSDOTTSWSA-N	-1	1	322.329	-1.731	20	0		DAADMM
CC(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1	ZINC001573409194	948072105	/nfs/dbraw/zinc/07/21/05/948072105.db2.gz	QHHWZVVWEJEYOL-VIFPVBQESA-N	-1	1	306.330	-1.068	20	0		DAADMM
CC(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1	ZINC001573409194	948072115	/nfs/dbraw/zinc/07/21/15/948072115.db2.gz	QHHWZVVWEJEYOL-VIFPVBQESA-N	-1	1	306.330	-1.068	20	0		DAADMM
CC(=O)N1CCC(NC(=O)Cn2cc(-c3nn[n-]n3)nn2)CC1	ZINC001573434470	948215166	/nfs/dbraw/zinc/21/51/66/948215166.db2.gz	SCILQEATHCHQLY-UHFFFAOYSA-N	-1	1	319.329	-1.415	20	0		DAADMM
C[C@H](C(=O)NC[C@]1(C)CCC(=O)N1)n1cnc(-c2nn[n-]n2)n1	ZINC001573691763	948246466	/nfs/dbraw/zinc/24/64/66/948246466.db2.gz	JQZVUFGYXBGKMH-KRTXAFLBSA-N	-1	1	319.329	-1.196	20	0		DAADMM
C[C@H](C(=O)NCC1(CC(N)=O)CC1)n1cnc(-c2nn[n-]n2)n1	ZINC001573691845	948248092	/nfs/dbraw/zinc/24/80/92/948248092.db2.gz	KHQXORRNZZVYHO-SSDOTTSWSA-N	-1	1	319.329	-1.209	20	0		DAADMM
C[C@@H](C(=O)NC[C@@H](O)c1c[nH]cn1)n1cnc(-c2nn[n-]n2)n1	ZINC001573692667	948269028	/nfs/dbraw/zinc/26/90/28/948269028.db2.gz	QGYSJVPEXGPITL-POYBYMJQSA-N	-1	1	318.301	-1.408	20	0		DAADMM
CC(=O)N1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1	ZINC001573442205	948288731	/nfs/dbraw/zinc/28/87/31/948288731.db2.gz	UJQJNJJVPQKZBT-UHFFFAOYSA-N	-1	1	319.329	-1.461	20	0		DAADMM
C[C@H](C(=O)NC[C@@H]1CCCNC1=O)n1cnc(-c2nn[n-]n2)n1	ZINC001573702912	948351892	/nfs/dbraw/zinc/35/18/92/948351892.db2.gz	HHKSURRMYCMHAW-SFYZADRCSA-N	-1	1	319.329	-1.338	20	0		DAADMM
C[C@@H](C(=O)NC[C@H]1CCCNC1=O)n1cnc(-c2nn[n-]n2)n1	ZINC001573702911	948352068	/nfs/dbraw/zinc/35/20/68/948352068.db2.gz	HHKSURRMYCMHAW-JGVFFNPUSA-N	-1	1	319.329	-1.338	20	0		DAADMM
C[C@H](C(=O)NCCn1cnc(-c2nn[n-]n2)n1)S(C)(=O)=O	ZINC001573716865	948500989	/nfs/dbraw/zinc/50/09/89/948500989.db2.gz	IQUWMVYFYXGVDM-ZCFIWIBFSA-N	-1	1	314.331	-1.993	20	0		DAADMM
Cn1ccnc1CCC(=O)NCCn1cnc(-c2nn[n-]n2)n1	ZINC001570918034	948567334	/nfs/dbraw/zinc/56/73/34/948567334.db2.gz	JNCSUXDIKMYAFP-UHFFFAOYSA-N	-1	1	316.329	-1.059	20	0		DAADMM
O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCOC[C@H]1c1nn[n-]n1	ZINC001570919131	948584163	/nfs/dbraw/zinc/58/41/63/948584163.db2.gz	ZFKBRRZNLWNFTM-QMMMGPOBSA-N	-1	1	316.285	-1.078	20	0		DAADMM
CC[S@](=O)CCNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1	ZINC001570919884	948592189	/nfs/dbraw/zinc/59/21/89/948592189.db2.gz	DDHZPFIUXYFRSF-NRFANRHFSA-N	-1	1	313.343	-1.154	20	0		DAADMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC[C@]2(CNC(=O)C2)C1	ZINC001570920882	948608453	/nfs/dbraw/zinc/60/84/53/948608453.db2.gz	FTHYKBGTNJVWNS-LBPRGKRZSA-N	-1	1	317.313	-1.803	20	0		DAADMM
CC(C)n1cnnc1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC001570921152	948615354	/nfs/dbraw/zinc/61/53/54/948615354.db2.gz	PHSQFYFRWWZIJT-UHFFFAOYSA-N	-1	1	317.317	-1.053	20	0		DAADMM
Cc1nncn1CCNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1	ZINC001570921369	948619208	/nfs/dbraw/zinc/61/92/08/948619208.db2.gz	XKBRQAZSRGTENP-ZETCQYMHSA-N	-1	1	317.317	-1.264	20	0		DAADMM
Cn1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)n1	ZINC001570921388	948620158	/nfs/dbraw/zinc/62/01/58/948620158.db2.gz	YCYCXFHUVJKWPI-UHFFFAOYSA-N	-1	1	317.269	-1.499	20	0		DAADMM
C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C1N=NC(=O)N1C	ZINC001570921716	948626523	/nfs/dbraw/zinc/62/65/23/948626523.db2.gz	MCUUDQWONSCBOW-RXMQYKEDSA-N	-1	1	319.289	-1.830	20	0		DAADMM
CN(c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)[C@H]1CCN(C)C1=O	ZINC001570922811	948647032	/nfs/dbraw/zinc/64/70/32/948647032.db2.gz	MXCMLZCJXKMBOU-LURJTMIESA-N	-1	1	320.313	-2.079	20	0		DAADMM
CNC(=O)C[C@H](C)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1	ZINC001570929897	948789874	/nfs/dbraw/zinc/78/98/74/948789874.db2.gz	ATFPQEYBJARFCB-ZETCQYMHSA-N	-1	1	322.333	-1.718	20	0		DAADMM
CNC(=O)C[C@@H](C)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1	ZINC001570929896	948789921	/nfs/dbraw/zinc/78/99/21/948789921.db2.gz	ATFPQEYBJARFCB-SSDOTTSWSA-N	-1	1	322.333	-1.718	20	0		DAADMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](CO)[C@@H]1CCCOC1	ZINC001570929908	948790602	/nfs/dbraw/zinc/79/06/02/948790602.db2.gz	BDBAHEOSQHEDAQ-RKDXNWHRSA-N	-1	1	322.329	-1.638	20	0		DAADMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)N1C[C@H](CO)[C@@H](CCO)C1	ZINC001570929972	948795906	/nfs/dbraw/zinc/79/59/06/948795906.db2.gz	DIOPDDFGFKCDAA-DTWKUNHWSA-N	-1	1	322.329	-2.093	20	0		DAADMM
C[C@@H](C(=O)Nc1ccn(C)c(=O)n1)n1cnc(-c2nn[n-]n2)n1	ZINC001573756122	948797035	/nfs/dbraw/zinc/79/70/35/948797035.db2.gz	XLYXIYNEABGEPC-LURJTMIESA-N	-1	1	316.285	-1.414	20	0		DAADMM
C[C@H](O)C[C@H](C)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001570931019	948830938	/nfs/dbraw/zinc/83/09/38/948830938.db2.gz	JQJZNOHTNXMQDS-BQBZGAKWSA-N	-1	1	323.313	-1.595	20	0		DAADMM
CC(C)[C@@H](O)C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001570931006	948833605	/nfs/dbraw/zinc/83/36/05/948833605.db2.gz	JIAOWKYGEADPFY-MRVPVSSYSA-N	-1	1	323.313	-1.738	20	0		DAADMM
CCO[C@@H]1COC[C@H]1NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1	ZINC001570931764	948854693	/nfs/dbraw/zinc/85/46/93/948854693.db2.gz	NHFUULQVJMMJGS-IWSPIJDZSA-N	-1	1	322.329	-1.061	20	0		DAADMM
CCC[C@H](O)CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001570932365	948860033	/nfs/dbraw/zinc/86/00/33/948860033.db2.gz	RXBRXSBLEPXYDL-ZETCQYMHSA-N	-1	1	323.313	-1.594	20	0		DAADMM
Cc1onc(CC(=O)N2C[C@H](CO)[C@H](CO)C2)c1-c1nnn[n-]1	ZINC001570932354	948860773	/nfs/dbraw/zinc/86/07/73/948860773.db2.gz	RLESUZIIZLJTOA-DTORHVGOSA-N	-1	1	322.325	-1.235	20	0		DAADMM
Cc1onc(CC(=O)N2C[C@H](CO)[C@H](CO)C2)c1-c1nn[n-]n1	ZINC001570932354	948860791	/nfs/dbraw/zinc/86/07/91/948860791.db2.gz	RLESUZIIZLJTOA-DTORHVGOSA-N	-1	1	322.325	-1.235	20	0		DAADMM
C[C@@H](CCO)CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001574694776	949089963	/nfs/dbraw/zinc/08/99/63/949089963.db2.gz	WDHKUVDZEUNIHA-ZETCQYMHSA-N	-1	1	323.313	-1.736	20	0		DAADMM
CC1=NO[C@H](CNC(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1	ZINC001575863362	949352988	/nfs/dbraw/zinc/35/29/88/949352988.db2.gz	BVRWBKDPQQHMDH-QMMMGPOBSA-N	-1	1	320.317	-1.078	20	0		DAADMM
O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)Cn1ccc(=O)[nH]c1=O	ZINC000378728975	971576311	/nfs/dbraw/zinc/57/63/11/971576311.db2.gz	VRWRUCMFTOECGO-QMMMGPOBSA-N	-1	1	307.266	-1.516	20	0		DAADMM
C[C@@H]1[C@H](CO)CCCN1c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1	ZINC001575870890	949499383	/nfs/dbraw/zinc/49/93/83/949499383.db2.gz	WWZKCIZJHDSMEI-SFYZADRCSA-N	-1	1	321.341	-1.149	20	0		DAADMM
C[C@H]1CCN(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)C[C@H]1O	ZINC001576190632	950168581	/nfs/dbraw/zinc/16/85/81/950168581.db2.gz	BZYMBSJUYNIIBE-DTWKUNHWSA-N	-1	1	321.345	-1.130	20	0		DAADMM
O=C([O-])Cn1cc(C(=O)NC[C@@H]2CN3CCN2CCC3)nn1	ZINC000394753043	951457121	/nfs/dbraw/zinc/45/71/21/951457121.db2.gz	OUZVHYQXCOQGGE-SNVBAGLBSA-N	-1	1	308.342	-1.518	20	0		DAADMM
C[C@@H](CNC(=O)c1cnon1)Nc1ccnc(-c2nn[n-]n2)n1	ZINC001575053300	951476111	/nfs/dbraw/zinc/47/61/11/951476111.db2.gz	AVCHYKZRIWUUIL-LURJTMIESA-N	-1	1	316.285	-1.308	20	0		DAADMM
O=C([O-])CN1CC[C@@H](N[C@H]2C(=O)NCC23CCOCC3)C1=O	ZINC001595079839	951669632	/nfs/dbraw/zinc/66/96/32/951669632.db2.gz	UQZMVARMMGDKEW-KOLCDFICSA-N	-1	1	311.338	-1.443	20	0		DAADMM
O=C([O-])CN1CCC[C@@H](C(=O)N2CC[C@H](c3nn[nH]n3)C2)C1=O	ZINC001595086637	951736296	/nfs/dbraw/zinc/73/62/96/951736296.db2.gz	MCGPDYJHLMXOEF-DTWKUNHWSA-N	-1	1	322.325	-1.161	20	0		DAADMM
O=C([O-])Cn1cc(C(=O)NC[C@@H]2CCCCN2CCO)nn1	ZINC001595141492	952081345	/nfs/dbraw/zinc/08/13/45/952081345.db2.gz	FPRSQTVCFLGJJI-JTQLQIEISA-N	-1	1	311.342	-1.061	20	0		DAADMM
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC[N@H+](CCO)CC1	ZINC001595168379	952213999	/nfs/dbraw/zinc/21/39/99/952213999.db2.gz	ILTMQTGKMGGKFT-NSHDSACASA-N	-1	1	321.399	-1.220	20	0		DAADMM
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCCN(CCO)CC1	ZINC001595168379	952214007	/nfs/dbraw/zinc/21/40/07/952214007.db2.gz	ILTMQTGKMGGKFT-NSHDSACASA-N	-1	1	321.399	-1.220	20	0		DAADMM
C[C@H](Cn1cncn1)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1	ZINC001575208028	952538067	/nfs/dbraw/zinc/53/80/67/952538067.db2.gz	ZNCIJNVWOYVZOG-ZCFIWIBFSA-N	-1	1	318.301	-1.242	20	0		DAADMM
C[C@@H](Cn1cncn1)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1	ZINC001575208027	952538383	/nfs/dbraw/zinc/53/83/83/952538383.db2.gz	ZNCIJNVWOYVZOG-LURJTMIESA-N	-1	1	318.301	-1.242	20	0		DAADMM
CCc1cc(CNC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)[nH]n1	ZINC001593630847	953579398	/nfs/dbraw/zinc/57/93/98/953579398.db2.gz	JTAZHKPUFKTOGX-JTQLQIEISA-N	-1	1	310.310	-1.100	20	0		DAADMM
O=C([O-])[C@]1(C(=O)N2CCC(O)(c3nn[nH]n3)CC2)CCCO1	ZINC001594845907	954145932	/nfs/dbraw/zinc/14/59/32/954145932.db2.gz	GNRBXRMKUJEGPZ-GFCCVEGCSA-N	-1	1	311.298	-1.357	20	0		DAADMM
CN(CC1CN(C)C1)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001593773033	954558549	/nfs/dbraw/zinc/55/85/49/954558549.db2.gz	VVOHLRRDAGNQLZ-UHFFFAOYSA-N	-1	1	309.326	-1.074	20	0		DAADMM
CN1CCN(C)[C@H](CNC(=O)C(=O)NCCCC(=O)[O-])C1	ZINC001593781096	954664029	/nfs/dbraw/zinc/66/40/29/954664029.db2.gz	OKJCOOOLOHMTOT-SNVBAGLBSA-N	-1	1	300.359	-1.671	20	0		DAADMM
CN1CCN(C)[C@H](CNC(=O)c2cccn(CC(=O)[O-])c2=O)C1	ZINC001593785284	954696875	/nfs/dbraw/zinc/69/68/75/954696875.db2.gz	PJXBRQGFJIUBFC-LLVKDONJSA-N	-1	1	322.365	-1.092	20	0		DAADMM
CC[C@H](CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)C(=O)[O-]	ZINC001589518909	955083699	/nfs/dbraw/zinc/08/36/99/955083699.db2.gz	ONPFYZCXYDWYIS-OUAUKWLOSA-N	-1	1	313.354	-1.509	20	0		DAADMM
COC(=O)[C@H]1CN(C)CCN(C(=O)NCCOCC(=O)[O-])C1	ZINC001593827872	955117459	/nfs/dbraw/zinc/11/74/59/955117459.db2.gz	KOZBXEAUHUNDFE-JTQLQIEISA-N	-1	1	317.342	-1.166	20	0		DAADMM
COC(=O)[C@@H]1CN(C)CCN(C(=O)NCCOCC(=O)[O-])C1	ZINC001593827876	955118081	/nfs/dbraw/zinc/11/80/81/955118081.db2.gz	KOZBXEAUHUNDFE-SNVBAGLBSA-N	-1	1	317.342	-1.166	20	0		DAADMM
COC(=O)C[C@@]1(NCCS(=O)(=O)CC(=O)[O-])CCOC1	ZINC001593832688	955166579	/nfs/dbraw/zinc/16/65/79/955166579.db2.gz	GHPIHFIOVMICGR-NSHDSACASA-N	-1	1	309.340	-1.202	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)on1	ZINC001593875265	955660213	/nfs/dbraw/zinc/66/02/13/955660213.db2.gz	DUGNYNQGUXKRHM-SNVBAGLBSA-N	-1	1	320.279	-1.017	20	0		DAADMM
CO[C@H](C(=O)[O-])C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1	ZINC001593906917	955930496	/nfs/dbraw/zinc/93/04/96/955930496.db2.gz	LORIKKTYQWXVAI-NEPJUHHUSA-N	-1	1	315.370	-1.391	20	0		DAADMM
COC[C@]1(C(=O)[O-])CN(C(=O)[C@@]2(C)C[C@H](O)CN2C)CCO1	ZINC001593969914	956598079	/nfs/dbraw/zinc/59/80/79/956598079.db2.gz	ICDNOMPAMOXFEM-GDLCADMTSA-N	-1	1	316.354	-1.230	20	0		DAADMM
COC[C@]1(C(=O)[O-])CN(C[C@@H](O)C2(O)CCOCC2)CCO1	ZINC001593985845	956776886	/nfs/dbraw/zinc/77/68/86/956776886.db2.gz	KFHWMQVKPDCAOC-RISCZKNCSA-N	-1	1	319.354	-1.309	20	0		DAADMM
COCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1	ZINC001594014407	957016809	/nfs/dbraw/zinc/01/68/09/957016809.db2.gz	DJYMGKPDEOOUSQ-QWRGUYRKSA-N	-1	1	313.354	-1.244	20	0		DAADMM
Cc1nc(CN2CCN([C@H]3CCN(CC(=O)[O-])C3=O)CC2)n[nH]1	ZINC001594453476	959399527	/nfs/dbraw/zinc/39/95/27/959399527.db2.gz	BRBSHOHSWUOJHK-NSHDSACASA-N	-1	1	322.369	-1.084	20	0		DAADMM
CO[C@@]1(C(=O)NCCN(C)CC(=O)[O-])CCS(=O)(=O)C1	ZINC001571102564	961245124	/nfs/dbraw/zinc/24/51/24/961245124.db2.gz	NPWCVJYDIUKQFG-NSHDSACASA-N	-1	1	308.356	-1.677	20	0		DAADMM
CC(C)[N@@H+](C)C[C@@H](O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001571103524	961262984	/nfs/dbraw/zinc/26/29/84/961262984.db2.gz	YPLCKMCERZZQLH-MNOVXSKESA-N	-1	1	308.400	-1.129	20	0		DAADMM
CC(C)N(C)C[C@@H](O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001571103524	961263004	/nfs/dbraw/zinc/26/30/04/961263004.db2.gz	YPLCKMCERZZQLH-MNOVXSKESA-N	-1	1	308.400	-1.129	20	0		DAADMM
CC(C)[N@@H+](C)C[C@@H](O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001571103523	961263047	/nfs/dbraw/zinc/26/30/47/961263047.db2.gz	YPLCKMCERZZQLH-GHMZBOCLSA-N	-1	1	308.400	-1.129	20	0		DAADMM
CC(C)N(C)C[C@@H](O)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001571103523	961263065	/nfs/dbraw/zinc/26/30/65/961263065.db2.gz	YPLCKMCERZZQLH-GHMZBOCLSA-N	-1	1	308.400	-1.129	20	0		DAADMM
O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)CCCc1nn[nH]n1	ZINC001571106975	961293256	/nfs/dbraw/zinc/29/32/56/961293256.db2.gz	XOVCIMYVLSURLR-MRVPVSSYSA-N	-1	1	310.314	-1.286	20	0		DAADMM
O=C([O-])CNC(=O)[C@@H]1CCCN1C[C@H](O)C[C@@]1(O)CCOC1	ZINC001571131481	961558963	/nfs/dbraw/zinc/55/89/63/961558963.db2.gz	IBJNGFVJTFMOQC-SUNKGSAMSA-N	-1	1	316.354	-1.446	20	0		DAADMM
O=C([O-])CNC(=O)[C@@H]1CCCN1C[C@@H](O)C[C@@]1(O)CCOC1	ZINC001571131480	961559062	/nfs/dbraw/zinc/55/90/62/961559062.db2.gz	IBJNGFVJTFMOQC-MJVIPROJSA-N	-1	1	316.354	-1.446	20	0		DAADMM
O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1nn[nH]n1	ZINC001571133739	961599950	/nfs/dbraw/zinc/59/99/50/961599950.db2.gz	WVDRBMSJKGOEPD-SSDOTTSWSA-N	-1	1	317.327	-1.767	20	0		DAADMM
COCCNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])no1	ZINC000315588593	963916988	/nfs/dbraw/zinc/91/69/88/963916988.db2.gz	LWQXXGQEWKDBQT-UHFFFAOYSA-N	-1	1	307.284	-1.586	20	0		DAADMM
CC1(C)NC(=O)N(CC(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])C1=O	ZINC000320665053	970695340	/nfs/dbraw/zinc/69/53/40/970695340.db2.gz	MEYUUNZVTRXYHF-MRVPVSSYSA-N	-1	1	323.309	-1.148	20	0		DAADMM
COC(=O)C1=NOC2(C1)CCN(CC(=O)NCC(=O)[O-])CC2	ZINC001604280093	972854422	/nfs/dbraw/zinc/85/44/22/972854422.db2.gz	KQWOWNPHSHLMNB-UHFFFAOYSA-N	-1	1	313.310	-1.029	20	0		DAADMM
O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCCc1nn[nH]n1	ZINC001606054060	973164105	/nfs/dbraw/zinc/16/41/05/973164105.db2.gz	ZDLZYKRWCDPSCS-SSDOTTSWSA-N	-1	1	317.327	-1.767	20	0		DAADMM
C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CCN(C(=O)C(=O)[O-])CC1	ZINC001603470567	973337329	/nfs/dbraw/zinc/33/73/29/973337329.db2.gz	JTRFZHGBMDJPDZ-MNOVXSKESA-N	-1	1	310.354	-1.870	20	0		DAADMM
C[C@H]1CN2CCN1C[C@@H]2C(=O)N1CCN(C(=O)C(=O)[O-])CC1	ZINC001603470569	973337373	/nfs/dbraw/zinc/33/73/73/973337373.db2.gz	JTRFZHGBMDJPDZ-WDEREUQCSA-N	-1	1	310.354	-1.870	20	0		DAADMM
O=C([O-])CN1CCC[C@H](C(=O)NCc2n[nH]c(CO)n2)C1=O	ZINC001606253164	973570657	/nfs/dbraw/zinc/57/06/57/973570657.db2.gz	KTLPIBUWMNDHJB-SSDOTTSWSA-N	-1	1	311.298	-1.764	20	0		DAADMM
COCc1nc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])n[nH]1	ZINC001604651355	973791495	/nfs/dbraw/zinc/79/14/95/973791495.db2.gz	OSYNTFGREIIODE-ZETCQYMHSA-N	-1	1	319.343	-1.166	20	0		DAADMM
C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)[C@H]1CN(C)CCN1C	ZINC001593049444	980335396	/nfs/dbraw/zinc/33/53/96/980335396.db2.gz	AGAMAZYQGBMBPH-GXSJLCMTSA-N	-1	1	310.358	-1.273	20	0		DAADMM
CCC[C@@H]1CNCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC001595624160	981729168	/nfs/dbraw/zinc/72/91/68/981729168.db2.gz	NGPHWDXHNHGMOS-GHMZBOCLSA-N	-1	1	313.354	-1.101	20	0		DAADMM
CCC[C@H]1CNCCN1C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC001595624162	981729214	/nfs/dbraw/zinc/72/92/14/981729214.db2.gz	NGPHWDXHNHGMOS-QWRGUYRKSA-N	-1	1	313.354	-1.101	20	0		DAADMM
CCN(C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)[C@H]1CCN(C)C1	ZINC001596127212	983467592	/nfs/dbraw/zinc/46/75/92/983467592.db2.gz	BYNAWGLNPDWUKI-WDEREUQCSA-N	-1	1	313.354	-1.149	20	0		DAADMM
CCOC(=O)CN(C)C(=O)CN1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001596616132	984583430	/nfs/dbraw/zinc/58/34/30/984583430.db2.gz	PPDVSLHSNMTNGM-VHSXEESVSA-N	-1	1	302.327	-1.225	20	0		DAADMM
C[C@H]1CN(C(=O)C(=O)N(C)CC2CN(C)C2)C[C@@H](C(=O)[O-])O1	ZINC001599909189	984963066	/nfs/dbraw/zinc/96/30/66/984963066.db2.gz	NHGSDTAENAPVOD-ONGXEEELSA-N	-1	1	313.354	-1.293	20	0		DAADMM
C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cn(CC(N)=O)nn1	ZINC001594521406	985991867	/nfs/dbraw/zinc/99/18/67/985991867.db2.gz	FVJWKJMKTBKGJW-SECBINFHSA-N	-1	1	324.341	-1.616	20	0		DAADMM
C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-]	ZINC001594585223	986475141	/nfs/dbraw/zinc/47/51/41/986475141.db2.gz	WAKZOMJCKHTFGK-VWYCJHECSA-N	-1	1	310.354	-1.872	20	0		DAADMM
C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-]	ZINC001594585220	986475159	/nfs/dbraw/zinc/47/51/59/986475159.db2.gz	WAKZOMJCKHTFGK-GMTAPVOTSA-N	-1	1	310.354	-1.872	20	0		DAADMM
CC(C)(C(=O)[O-])N1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1	ZINC001589628701	987530431	/nfs/dbraw/zinc/53/04/31/987530431.db2.gz	UIQSHWILXWSQFM-UHFFFAOYSA-N	-1	1	324.341	-1.616	20	0		DAADMM
CCc1cc(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)[nH]n1	ZINC001597471127	987928202	/nfs/dbraw/zinc/92/82/02/987928202.db2.gz	QRBBFGUJBRUPIZ-KCJUWKMLSA-N	-1	1	324.337	-1.118	20	0		DAADMM
C[C@@H](O)[C@H](NC(=O)CN(C)c1ncnc2[nH]cnc21)C(=O)[O-]	ZINC001599843774	988897899	/nfs/dbraw/zinc/89/78/99/988897899.db2.gz	NZLXZUHZCYXYEV-SVRRBLITSA-N	-1	1	308.298	-1.261	20	0		DAADMM
CC(C)(NS(C)(=O)=O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC001590880787	990798348	/nfs/dbraw/zinc/79/83/48/990798348.db2.gz	IGXJTOPOBLLTCZ-MRVPVSSYSA-N	-1	1	318.355	-1.151	20	0		DAADMM
CN(Cc1nnc[nH]1)C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001598541149	992902403	/nfs/dbraw/zinc/90/24/03/992902403.db2.gz	OGMSHXWDHDMUOZ-JGVFFNPUSA-N	-1	1	311.298	-1.943	20	0		DAADMM
CN1C[C@@H](O)C[C@@]1(C)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC001598569458	993179330	/nfs/dbraw/zinc/17/93/30/993179330.db2.gz	KNGHGXQVDRRFSN-ZANVPECISA-N	-1	1	309.326	-1.185	20	0		DAADMM
CN1C[C@H](O)C[C@]1(C)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC001598569455	993179400	/nfs/dbraw/zinc/17/94/00/993179400.db2.gz	KNGHGXQVDRRFSN-NOZJJQNGSA-N	-1	1	309.326	-1.185	20	0		DAADMM
CN1CCN(C(=O)c2nc3n(n2)CCCN3)C[C@@H](C(=O)[O-])C1	ZINC001598612467	993805309	/nfs/dbraw/zinc/80/53/09/993805309.db2.gz	SUHFGXXYFZMMGM-VIFPVBQESA-N	-1	1	308.342	-1.560	20	0		DAADMM
CN1CCN(C)[C@H](CNC(=O)Cn2cccc(C(=O)[O-])c2=O)C1	ZINC001598612585	993809154	/nfs/dbraw/zinc/80/91/54/993809154.db2.gz	VCMDQMDKFVEOPR-LLVKDONJSA-N	-1	1	322.365	-1.092	20	0		DAADMM
CN1CCN(CCN(CC(=O)[O-])C(=O)CCn2ccnn2)CC1	ZINC001598617416	993915038	/nfs/dbraw/zinc/91/50/38/993915038.db2.gz	YXKAKDPRWVABMN-UHFFFAOYSA-N	-1	1	324.385	-1.171	20	0		DAADMM
Cn1cnc(C(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])n1	ZINC001598617506	993918645	/nfs/dbraw/zinc/91/86/45/993918645.db2.gz	TWXPOPHSICRIRA-UHFFFAOYSA-N	-1	1	310.358	-1.411	20	0		DAADMM
CNS(=O)(=O)CCN1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC001598671228	994761244	/nfs/dbraw/zinc/76/12/44/994761244.db2.gz	CHFVVFZSDOZZCE-DTWKUNHWSA-N	-1	1	308.356	-1.126	20	0		DAADMM
C[C@@H](NS(C)(=O)=O)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C	ZINC001593347199	994953415	/nfs/dbraw/zinc/95/34/15/994953415.db2.gz	DFQDBCIJDDAXBY-NXEZZACHSA-N	-1	1	321.399	-1.069	20	0		DAADMM
C[C@@H](O)c1cn(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])nn1	ZINC001593477251	995417136	/nfs/dbraw/zinc/41/71/36/995417136.db2.gz	NBIHTXPOJUZHJI-APPZFPTMSA-N	-1	1	308.298	-1.133	20	0		DAADMM
COC(=O)[C@]1(N2CCN(C[C@@](C)(O)C(=O)[O-])CC2)CCOC1	ZINC001598720920	995474432	/nfs/dbraw/zinc/47/44/32/995474432.db2.gz	AMFNVQXBMFHKFS-KGLIPLIRSA-N	-1	1	316.354	-1.228	20	0		DAADMM
COC(=O)[C@@H]1C[C@H](O)CN(CCc2cn(CC(=O)[O-])nn2)C1	ZINC001598753265	995682206	/nfs/dbraw/zinc/68/22/06/995682206.db2.gz	APZCLQIUQIGAGK-KOLCDFICSA-N	-1	1	312.326	-1.239	20	0		DAADMM
COC(=O)[C@H]1C[C@@H](O)CN(CCc2cn(CC(=O)[O-])nn2)C1	ZINC001598753263	995682340	/nfs/dbraw/zinc/68/23/40/995682340.db2.gz	APZCLQIUQIGAGK-GXSJLCMTSA-N	-1	1	312.326	-1.239	20	0		DAADMM
COC(=O)C1CCN(C(=O)CN2CC[C@](O)(C(=O)[O-])C2)CC1	ZINC001598795352	996106467	/nfs/dbraw/zinc/10/64/67/996106467.db2.gz	WZYLJDFQBASPJD-CQSZACIVSA-N	-1	1	314.338	-1.081	20	0		DAADMM
COC(=O)C[C@H](NC(=O)C1CN([C@@H]2CCOC2)C1)C(=O)[O-]	ZINC001598837939	996501545	/nfs/dbraw/zinc/50/15/45/996501545.db2.gz	OZSDZZOZCRVUTN-ZJUUUORDSA-N	-1	1	300.311	-1.160	20	0		DAADMM
COC(=O)CN(C)CCNS(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001598859555	996663145	/nfs/dbraw/zinc/66/31/45/996663145.db2.gz	HDRCUFJELMURQZ-UHFFFAOYSA-N	-1	1	321.311	-1.244	20	0		DAADMM
COC(=O)CN1CCN(CCC(=O)N(C)CC(=O)[O-])CC1	ZINC001598863601	996695921	/nfs/dbraw/zinc/69/59/21/996695921.db2.gz	DEOIDCMNKZFWEY-UHFFFAOYSA-N	-1	1	301.343	-1.290	20	0		DAADMM
COC[C@H](NS(=O)(=O)c1cc(C(=O)OC)no1)C(=O)[O-]	ZINC001599176712	996860236	/nfs/dbraw/zinc/86/02/36/996860236.db2.gz	BTSUFTAGMUGGQX-LURJTMIESA-N	-1	1	308.268	-1.161	20	0		DAADMM
COC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])no1)C(=O)OC	ZINC001599177354	996873763	/nfs/dbraw/zinc/87/37/63/996873763.db2.gz	KLGUQXAXKPISJR-ZCFIWIBFSA-N	-1	1	308.268	-1.161	20	0		DAADMM
COC[C@]1(C(=O)NCC2(C(=O)[O-])CCOCC2)CNCCO1	ZINC001599184896	997009415	/nfs/dbraw/zinc/00/94/15/997009415.db2.gz	RZBNSGDQZZVVDC-AWEZNQCLSA-N	-1	1	316.354	-1.011	20	0		DAADMM
COC[C@H]1CNCCN1C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC001599206567	997419089	/nfs/dbraw/zinc/41/90/89/997419089.db2.gz	BVSGQUKULMWSJY-YGRLFVJLSA-N	-1	1	313.354	-1.244	20	0		DAADMM
COCC[C@H]1CNCCN1C(=O)C(=O)NC[C@H](F)C(=O)[O-]	ZINC001599220513	997658689	/nfs/dbraw/zinc/65/86/89/997658689.db2.gz	AZDJCNYLEBRJOH-IUCAKERBSA-N	-1	1	305.306	-1.638	20	0		DAADMM
COCC[C@@H]1CNCCN1C(=O)C(=O)NC[C@H](F)C(=O)[O-]	ZINC001599220512	997659066	/nfs/dbraw/zinc/65/90/66/997659066.db2.gz	AZDJCNYLEBRJOH-BDAKNGLRSA-N	-1	1	305.306	-1.638	20	0		DAADMM
COCC[C@H]1CNCCN1C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC001599221319	997675445	/nfs/dbraw/zinc/67/54/45/997675445.db2.gz	NIOXDVUDTLIUEI-QWRGUYRKSA-N	-1	1	313.354	-1.244	20	0		DAADMM
COCCCS(=O)(=O)NCCN1CCC[C@H](O)[C@@H]1C(=O)[O-]	ZINC001599229089	997814234	/nfs/dbraw/zinc/81/42/34/997814234.db2.gz	ARPRSUCUJNIAAH-WDEREUQCSA-N	-1	1	324.399	-1.148	20	0		DAADMM
COCCN(C)CCNC(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001599230714	997846711	/nfs/dbraw/zinc/84/67/11/997846711.db2.gz	DRRKMBALFZXNKX-NSHDSACASA-N	-1	1	313.354	-1.030	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCCOCC(=O)[O-])on1	ZINC001598954945	998222306	/nfs/dbraw/zinc/22/23/06/998222306.db2.gz	RKCUHGOFCQEAOB-UHFFFAOYSA-N	-1	1	308.268	-1.159	20	0		DAADMM
COC1(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])CS(=O)(=O)C1	ZINC001599063677	999283946	/nfs/dbraw/zinc/28/39/46/999283946.db2.gz	UEVAQGPTDNWNOI-QMMMGPOBSA-N	-1	1	317.323	-1.665	20	0		DAADMM
C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CCN1CCC(=O)[O-]	ZINC001594471018	999703646	/nfs/dbraw/zinc/70/36/46/999703646.db2.gz	RPYRORVUDUUPOS-VIFPVBQESA-N	-1	1	324.341	-1.616	20	0		DAADMM
CO[C@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1CC1	ZINC000293866048	536644203	/nfs/dbraw/zinc/64/42/03/536644203.db2.gz	SFENERDEHJGFON-SECBINFHSA-N	-1	1	317.367	-1.213	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001191747061	781923131	/nfs/dbraw/zinc/92/31/31/781923131.db2.gz	YFVDKHIBYJBEKQ-UWVGGRQHSA-N	-1	1	324.385	-1.347	20	0		DAADMM
COC[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001191756688	781923751	/nfs/dbraw/zinc/92/37/51/781923751.db2.gz	VNJKCUMLWHWEBA-IVZWLZJFSA-N	-1	1	313.358	-1.948	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@H]2C[C@@H](O)C2)c(=O)n(C)c1=O	ZINC000625567334	545652242	/nfs/dbraw/zinc/65/22/42/545652242.db2.gz	XCIMHDUXCJXIAA-OCAPTIKFSA-N	-1	1	303.340	-1.867	20	0		DAADMM
CC(C)[C@@H](O)CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000331263978	545703389	/nfs/dbraw/zinc/70/33/89/545703389.db2.gz	GAXRACRBVMOPOL-VIFPVBQESA-N	-1	1	319.383	-1.231	20	0		DAADMM
CN(Cc1nnnn1C)C(=O)CNC(=O)c1ncccc1[O-]	ZINC000343821873	545709159	/nfs/dbraw/zinc/70/91/59/545709159.db2.gz	XHWJEIOAFZDVDI-UHFFFAOYSA-N	-1	1	305.298	-1.301	20	0		DAADMM
CCOC(=O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000005055881	181198721	/nfs/dbraw/zinc/19/87/21/181198721.db2.gz	GGACGRRISDPFFZ-UHFFFAOYSA-N	-1	1	305.312	-2.075	20	0		DAADMM
O=C(CCNC(=O)c1ncon1)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC001192027301	781937280	/nfs/dbraw/zinc/93/72/80/781937280.db2.gz	BHZQEGYSLIHICU-QMMMGPOBSA-N	-1	1	322.281	-1.275	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)/C=C/C3CC3)C2)nc1=O	ZINC001192087714	781944235	/nfs/dbraw/zinc/94/42/35/781944235.db2.gz	MMEMBZOXNWGNJM-XKFHPXPTSA-N	-1	1	307.354	-1.264	20	0		DAADMM
O=C(N[C@@H]1CN(CCOCCO)C[C@H]1O)c1ncccc1[O-]	ZINC001192375036	781957009	/nfs/dbraw/zinc/95/70/09/781957009.db2.gz	QHDGVNQRSJOSAA-ZYHUDNBSSA-N	-1	1	311.338	-1.429	20	0		DAADMM
NC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001192375144	781957919	/nfs/dbraw/zinc/95/79/19/781957919.db2.gz	SKXHSXVEOQFKSX-VXNVDRBHSA-N	-1	1	323.309	-2.243	20	0		DAADMM
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@@H](CO)C(=O)OC	ZINC000036818113	372774134	/nfs/dbraw/zinc/77/41/34/372774134.db2.gz	BJAVQXDQIVPDTH-IUCAKERBSA-N	-1	1	324.355	-1.618	20	0		DAADMM
COCCOCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000046036237	372784100	/nfs/dbraw/zinc/78/41/00/372784100.db2.gz	PNFNDARXAIMMNQ-UHFFFAOYSA-N	-1	1	321.355	-1.975	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC(=O)C(C)(C)C)c(=O)n(C)c1=O	ZINC000086515530	372807874	/nfs/dbraw/zinc/80/78/74/372807874.db2.gz	ZCAVSICFGPLNHJ-UHFFFAOYSA-N	-1	1	317.367	-1.023	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2O)c(=O)n(C)c1=O	ZINC000089166314	372817147	/nfs/dbraw/zinc/81/71/47/372817147.db2.gz	DYOKHZDRXYVQNR-BDAKNGLRSA-N	-1	1	317.367	-1.477	20	0		DAADMM
NS(=O)(=O)CCOCCNC(=O)C(=O)c1ccc([O-])cc1	ZINC000622050472	372840003	/nfs/dbraw/zinc/84/00/03/372840003.db2.gz	PABRCLKTMYVROA-UHFFFAOYSA-N	-1	1	316.335	-1.004	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2CNC(=O)C2)c(=O)n(C)c1=O	ZINC000358876101	372863625	/nfs/dbraw/zinc/86/36/25/372863625.db2.gz	AOMBCUNINFDNLJ-ZCFIWIBFSA-N	-1	1	302.312	-2.749	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCOCCO)c(=O)n(C)c1=O	ZINC000052925450	372919614	/nfs/dbraw/zinc/91/96/14/372919614.db2.gz	CUCHAKAZIHVBRF-UHFFFAOYSA-N	-1	1	307.328	-2.629	20	0		DAADMM
CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C2)C1	ZINC000364645263	372950026	/nfs/dbraw/zinc/95/00/26/372950026.db2.gz	JPQSNPONYDBBGG-TUAOUCFPSA-N	-1	1	315.370	-1.705	20	0		DAADMM
COC(=O)C1(CS(=O)(=O)[N-][C@@]2(C(N)=O)CCOC2)CCC1	ZINC000594494321	372992486	/nfs/dbraw/zinc/99/24/86/372992486.db2.gz	WEFMAVPYLIRXEQ-LBPRGKRZSA-N	-1	1	320.367	-1.107	20	0		DAADMM
COC(=O)C[C@H]([N-]S(=O)(=O)N1CCCOCC1)C(=O)OC	ZINC000593526623	372983452	/nfs/dbraw/zinc/98/34/52/372983452.db2.gz	IZMGMWNLHRQFAF-VIFPVBQESA-N	-1	1	324.355	-1.352	20	0		DAADMM
Cn1c(=O)c2ccc(C(=O)NCc3nn[n-]n3)nc2n(C)c1=O	ZINC000599334346	373038678	/nfs/dbraw/zinc/03/86/78/373038678.db2.gz	HKNKVIFIDOMGFW-UHFFFAOYSA-N	-1	1	316.281	-1.925	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)[N-]C[C@@]2(O)CCN(C)C2)on1	ZINC000599276695	373038956	/nfs/dbraw/zinc/03/89/56/373038956.db2.gz	ANOFEAAMPJRXSX-NSHDSACASA-N	-1	1	319.339	-1.194	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])NCCN1C(=O)CNC1=O	ZINC000337902811	373111432	/nfs/dbraw/zinc/11/14/32/373111432.db2.gz	KKISFLGWSZHZLJ-UHFFFAOYSA-N	-1	1	321.293	-1.815	20	0		DAADMM
COC(=O)c1coc(S(=O)(=O)[N-]CCC(=O)NC(N)=O)c1	ZINC000270061689	373171808	/nfs/dbraw/zinc/17/18/08/373171808.db2.gz	XAHOAJLTSYSCCB-UHFFFAOYSA-N	-1	1	319.295	-1.071	20	0		DAADMM
COC(=O)c1ccc(S(=O)(=O)[N-]CCC(=O)NC(N)=O)o1	ZINC000268148038	373165051	/nfs/dbraw/zinc/16/50/51/373165051.db2.gz	JSJRLWDOOUMNLW-UHFFFAOYSA-N	-1	1	319.295	-1.071	20	0		DAADMM
COC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1CC1	ZINC000269630445	373170760	/nfs/dbraw/zinc/17/07/60/373170760.db2.gz	FIZKNLWRYNKZBD-SECBINFHSA-N	-1	1	317.367	-1.213	20	0		DAADMM
COC(=O)C[C@@H]([N-]S(=O)(=O)c1c(C)onc1N)C(=O)OC	ZINC000289620417	373213715	/nfs/dbraw/zinc/21/37/15/373213715.db2.gz	XVBPWHVVEOHVJC-ZCFIWIBFSA-N	-1	1	321.311	-1.052	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]CCCN1C(=O)CNC1=O	ZINC000290781083	373218264	/nfs/dbraw/zinc/21/82/64/373218264.db2.gz	PKGQLRJRWOIOTA-UHFFFAOYSA-N	-1	1	317.327	-1.215	20	0		DAADMM
Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CC(C(N)=O)=NO2)c1Cl	ZINC000275864374	373182089	/nfs/dbraw/zinc/18/20/89/373182089.db2.gz	JLWJGSABYWMPEF-YFKPBYRVSA-N	-1	1	321.746	-1.018	20	0		DAADMM
C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000277604543	373184151	/nfs/dbraw/zinc/18/41/51/373184151.db2.gz	AIPXSFQMSOLWSO-BDAKNGLRSA-N	-1	1	317.367	-1.213	20	0		DAADMM
COC(=O)[C@H]([N-]S(=O)(=O)CCCN1CCOCC1)[C@@H](C)O	ZINC000548700057	373354624	/nfs/dbraw/zinc/35/46/24/373354624.db2.gz	ASIZQAWXOBDTMM-GHMZBOCLSA-N	-1	1	324.399	-1.450	20	0		DAADMM
COCC(C)(C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000066936523	373418734	/nfs/dbraw/zinc/41/87/34/373418734.db2.gz	XOOHNCRJKXKXEG-UHFFFAOYSA-N	-1	1	305.356	-1.213	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC2CSC2)c(=O)n(C)c1=O	ZINC000641612990	373426967	/nfs/dbraw/zinc/42/69/67/373426967.db2.gz	LCIIUQLBSCIFRX-UHFFFAOYSA-N	-1	1	305.381	-1.275	20	0		DAADMM
C[C@@H](O)CCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000228067667	373450705	/nfs/dbraw/zinc/45/07/05/373450705.db2.gz	ZBTMHINXHUXQRP-MRVPVSSYSA-N	-1	1	305.356	-1.477	20	0		DAADMM
C[C@@H](CO)CCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000230153248	373453678	/nfs/dbraw/zinc/45/36/78/373453678.db2.gz	ZOKUICYEDHUAOR-SECBINFHSA-N	-1	1	319.383	-1.229	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@H]2CC[C@H](O)C2)c(=O)n(C)c1=O	ZINC000236088009	373455240	/nfs/dbraw/zinc/45/52/40/373455240.db2.gz	YQHXBVIUTSRMIB-IUCAKERBSA-N	-1	1	317.367	-1.477	20	0		DAADMM
CC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)OC	ZINC000267923556	373534660	/nfs/dbraw/zinc/53/46/60/373534660.db2.gz	QZAYFWDUMANEOZ-ZETCQYMHSA-N	-1	1	319.339	-1.686	20	0		DAADMM
C[C@@H](CN(C)C(=O)Cn1ccc(=O)n(C)c1=O)c1nn[n-]n1	ZINC000541843266	373498173	/nfs/dbraw/zinc/49/81/73/373498173.db2.gz	DIPHQWXJKUUOBT-QMMMGPOBSA-N	-1	1	307.314	-1.678	20	0		DAADMM
C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000269806895	373535644	/nfs/dbraw/zinc/53/56/44/373535644.db2.gz	UAFBOMKUKIQOEW-IUCAKERBSA-N	-1	1	319.383	-1.231	20	0		DAADMM
O=C(CN1CCNCC1=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000566196577	373523493	/nfs/dbraw/zinc/52/34/93/373523493.db2.gz	ORXVKYNSFMWWRS-VIFPVBQESA-N	-1	1	309.326	-1.087	20	0		DAADMM
COC(=O)c1ccc(S(=O)(=O)[N-][C@]2(C(N)=O)CCOC2)o1	ZINC000577886779	373580479	/nfs/dbraw/zinc/58/04/79/373580479.db2.gz	UTHMONIRFRFQIA-LLVKDONJSA-N	-1	1	318.307	-1.011	20	0		DAADMM
COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)[N-][C@@]1(C(N)=O)CCOC1	ZINC000580903783	373597064	/nfs/dbraw/zinc/59/70/64/373597064.db2.gz	XRTDZMJDAWOASH-LNLATYFQSA-N	-1	1	320.367	-1.108	20	0		DAADMM
O=C(CCc1nn[n-]n1)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000630920809	373605661	/nfs/dbraw/zinc/60/56/61/373605661.db2.gz	CZNNUJTYIUZZRG-UHFFFAOYSA-N	-1	1	321.385	-1.101	20	0		DAADMM
O=C(CCc1nn[nH]n1)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000630920809	373605673	/nfs/dbraw/zinc/60/56/73/373605673.db2.gz	CZNNUJTYIUZZRG-UHFFFAOYSA-N	-1	1	321.385	-1.101	20	0		DAADMM
CN(C)C(=O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000015334850	373606604	/nfs/dbraw/zinc/60/66/04/373606604.db2.gz	YQONMDGOSAKFCB-UHFFFAOYSA-N	-1	1	304.328	-2.550	20	0		DAADMM
COC(=O)CCN(C)S(=O)(=O)[N-][C@H](C(=O)OC)[C@H](C)O	ZINC000444185002	545781972	/nfs/dbraw/zinc/78/19/72/545781972.db2.gz	BHOMISXEROZAKK-CBAPKCEASA-N	-1	1	312.344	-1.762	20	0		DAADMM
COC(=O)CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000040419771	183064285	/nfs/dbraw/zinc/06/42/85/183064285.db2.gz	NDJYLQHJOYFFMR-UHFFFAOYSA-N	-1	1	305.312	-2.075	20	0		DAADMM
COCC1([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCC1	ZINC000283980096	131038153	/nfs/dbraw/zinc/03/81/53/131038153.db2.gz	OCVLFNCJZYKHLY-UHFFFAOYSA-N	-1	1	317.367	-1.069	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC(F)(F)F)c(=O)n(C)c1=O	ZINC000283985730	131038835	/nfs/dbraw/zinc/03/88/35/131038835.db2.gz	HQMQSSUZWWMHDH-UHFFFAOYSA-N	-1	1	301.246	-1.075	20	0		DAADMM
C[C@@H]1C(=O)NCCN1C(=O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2	ZINC000287888128	131304733	/nfs/dbraw/zinc/30/47/33/131304733.db2.gz	TVSHSTRLSUZBCT-DVTHSZLWSA-N	-1	1	316.321	-1.373	20	0		DAADMM
COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1	ZINC000288787036	131340101	/nfs/dbraw/zinc/34/01/01/131340101.db2.gz	CBUUCKKDHZNJEB-VIFPVBQESA-N	-1	1	311.342	-1.043	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]CCN1CCNC(=O)C1	ZINC000290000343	131443634	/nfs/dbraw/zinc/44/36/34/131443634.db2.gz	WRBKMLXKCFWBQT-UHFFFAOYSA-N	-1	1	303.344	-1.725	20	0		DAADMM
CCOC(=O)[C@H](CO)[N-]S(=O)(=O)N1CCOC(C)(C)C1	ZINC000351975335	545829300	/nfs/dbraw/zinc/82/93/00/545829300.db2.gz	MLRIOTAHMHTNRN-VIFPVBQESA-N	-1	1	310.372	-1.144	20	0		DAADMM
O=C(NC1(c2nn[n-]n2)CCCC1)[C@H]1CCS(=O)(=O)N1	ZINC000651353713	409365483	/nfs/dbraw/zinc/36/54/83/409365483.db2.gz	UJZBCUKAIXIUFR-SSDOTTSWSA-N	-1	1	300.344	-1.223	20	0		DAADMM
CCN1C[C@@H](CN=c2ccc(C(=O)NCCO)n[n-]2)CC1=O	ZINC000651422832	409366431	/nfs/dbraw/zinc/36/64/31/409366431.db2.gz	NZNHQNRGHFPATA-SNVBAGLBSA-N	-1	1	307.354	-1.099	20	0		DAADMM
O=C(NCCO)c1ccc(=NCC[C@@]2(O)CCCOC2)[n-]n1	ZINC000651468866	409367029	/nfs/dbraw/zinc/36/70/29/409367029.db2.gz	WMDXOQAIPJAWBT-AWEZNQCLSA-N	-1	1	310.354	-1.036	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H](CO)CCF)c(=O)n(C)c1=O	ZINC000651896561	409380708	/nfs/dbraw/zinc/38/07/08/409380708.db2.gz	XMQAUXYZLSKAMX-ZETCQYMHSA-N	-1	1	309.319	-1.917	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)C(=O)N3CCCC3)CC2)nc1=O	ZINC000408194799	409383007	/nfs/dbraw/zinc/38/30/07/409383007.db2.gz	JHBVSSCXHPBWOB-UHFFFAOYSA-N	-1	1	322.369	-1.625	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H]1CC[C@H](C(N)=O)O1	ZINC000519648394	409386388	/nfs/dbraw/zinc/38/63/88/409386388.db2.gz	VZZSAGYQOUJGML-NKWVEPMBSA-N	-1	1	304.328	-1.124	20	0		DAADMM
CO[C@](C)(CO)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000655621662	409428767	/nfs/dbraw/zinc/42/87/67/409428767.db2.gz	FITICLZOCVOMMK-NSHDSACASA-N	-1	1	321.355	-2.240	20	0		DAADMM
COC(=O)[C@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])CCO1	ZINC000343260836	409428894	/nfs/dbraw/zinc/42/88/94/409428894.db2.gz	LPDYITYTRRFWFB-SNVBAGLBSA-N	-1	1	323.305	-1.083	20	0		DAADMM
COC[C@@H]([N-]S(=O)(=O)N(C)CCC(=O)OC)C(=O)OC	ZINC000350617632	409457886	/nfs/dbraw/zinc/45/78/86/409457886.db2.gz	GQFDAALFWXVHHI-MRVPVSSYSA-N	-1	1	312.344	-1.496	20	0		DAADMM
COC(=O)[C@@H]1COCCN1C(=O)CNC(=O)c1ncccc1[O-]	ZINC000352549616	409467407	/nfs/dbraw/zinc/46/74/07/409467407.db2.gz	DPNKQJGUZTYSTN-VIFPVBQESA-N	-1	1	323.305	-1.083	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C2(CCO)CC2)c(=O)n(C)c1=O	ZINC000431583609	409557306	/nfs/dbraw/zinc/55/73/06/409557306.db2.gz	FOPXBBIBTFRADC-UHFFFAOYSA-N	-1	1	303.340	-1.723	20	0		DAADMM
NS(=O)(=O)CCN1CCN(C(=O)c2cncc([O-])c2)CC1	ZINC000359431271	409503320	/nfs/dbraw/zinc/50/33/20/409503320.db2.gz	FIMDZXVWVHUBBF-UHFFFAOYSA-N	-1	1	314.367	-1.167	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(CCO)CC2)o1	ZINC000170227346	409523173	/nfs/dbraw/zinc/52/31/73/409523173.db2.gz	CVNNSSXETUCNHS-UHFFFAOYSA-N	-1	1	317.367	-1.062	20	0		DAADMM
CN(CC(=O)NCCc1nc(=O)o[n-]1)c1ncnc2[nH]cnc21	ZINC000447637264	409590264	/nfs/dbraw/zinc/59/02/64/409590264.db2.gz	RMBZKSWLKANJEA-UHFFFAOYSA-N	-1	1	318.297	-1.176	20	0		DAADMM
C[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000158797264	409592903	/nfs/dbraw/zinc/59/29/03/409592903.db2.gz	DKVQSDWRTBLMFB-SFYZADRCSA-N	-1	1	305.356	-1.621	20	0		DAADMM
C[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000158797132	409593018	/nfs/dbraw/zinc/59/30/18/409593018.db2.gz	DKVQSDWRTBLMFB-YUMQZZPRSA-N	-1	1	305.356	-1.621	20	0		DAADMM
CC(C)[C@@H](CO)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000344819397	409663032	/nfs/dbraw/zinc/66/30/32/409663032.db2.gz	CUJHNXYGNCEPPE-SECBINFHSA-N	-1	1	319.383	-1.373	20	0		DAADMM
Cc1nn(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(=O)n1C	ZINC000654944479	409670894	/nfs/dbraw/zinc/67/08/94/409670894.db2.gz	VMVRAJRVHITFOO-SECBINFHSA-N	-1	1	306.330	-1.190	20	0		DAADMM
Cc1nn(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(=O)n1C	ZINC000654944480	409671985	/nfs/dbraw/zinc/67/19/85/409671985.db2.gz	VMVRAJRVHITFOO-VIFPVBQESA-N	-1	1	306.330	-1.190	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H](CO)C2CCC2)c(=O)n(C)c1=O	ZINC000657056567	409677210	/nfs/dbraw/zinc/67/72/10/409677210.db2.gz	MYGGJUOUNGJDOQ-VIFPVBQESA-N	-1	1	317.367	-1.477	20	0		DAADMM
NC(=O)[C@H](CO)[N-]S(=O)(=O)c1ncccc1Br	ZINC000656987784	409677455	/nfs/dbraw/zinc/67/74/55/409677455.db2.gz	JYCLQWZZJFWWDY-LURJTMIESA-N	-1	1	324.156	-1.031	20	0		DAADMM
CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)[C@@H]1CCO[C@H]1C	ZINC000657101596	409677887	/nfs/dbraw/zinc/67/78/87/409677887.db2.gz	UCJMJTUGVIDMIE-AXTSPUMRSA-N	-1	1	313.397	-1.105	20	0		DAADMM
O=C(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)Nc1nnn[n-]1	ZINC000429107909	409759590	/nfs/dbraw/zinc/75/95/90/409759590.db2.gz	DDXANQOVZGCGTD-UHFFFAOYSA-N	-1	1	317.269	-0.466	20	0		DAADMM
O=C(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)Nc1nn[n-]n1	ZINC000429107909	409759600	/nfs/dbraw/zinc/75/96/00/409759600.db2.gz	DDXANQOVZGCGTD-UHFFFAOYSA-N	-1	1	317.269	-0.466	20	0		DAADMM
Cn1c(=O)c2ccc(C(=O)Nc3nn[n-]n3)nc2n(C)c1=O	ZINC000342861706	409798438	/nfs/dbraw/zinc/79/84/38/409798438.db2.gz	VZOLGAXDPHCQJE-UHFFFAOYSA-N	-1	1	302.254	-1.602	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H](O)Cn1ccnn1	ZINC000577768598	409809157	/nfs/dbraw/zinc/80/91/57/409809157.db2.gz	IJHPVTYUDHTOIF-SSDOTTSWSA-N	-1	1	302.316	-1.504	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]C[C@H]1CC[C@H](C(N)=O)O1	ZINC000519648401	409809832	/nfs/dbraw/zinc/80/98/32/409809832.db2.gz	VZZSAGYQOUJGML-RNFRBKRXSA-N	-1	1	304.328	-1.124	20	0		DAADMM
CS(C)(=O)=NS(=O)(=O)[N-]CCNC(=O)c1cnccn1	ZINC001193850862	782019499	/nfs/dbraw/zinc/01/94/99/782019499.db2.gz	SKMWAYNORWTBLO-UHFFFAOYSA-N	-1	1	321.384	-1.232	20	0		DAADMM
CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)N2CCOCC2)n1	ZINC000360619674	262591876	/nfs/dbraw/zinc/59/18/76/262591876.db2.gz	MDMCZIXHGCOKMP-UHFFFAOYSA-N	-1	1	317.371	-1.040	20	0		DAADMM
CCOC(=O)[C@H](CO)NC(=O)c1ccc(S(=O)(=O)[N-]C)o1	ZINC000355752087	263218601	/nfs/dbraw/zinc/21/86/01/263218601.db2.gz	NTSVMMLDRLEUAM-ZETCQYMHSA-N	-1	1	320.323	-1.159	20	0		DAADMM
C[C@@H](O)C[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000228207044	263225874	/nfs/dbraw/zinc/22/58/74/263225874.db2.gz	SVQQTUUJBBBVRK-JGVFFNPUSA-N	-1	1	305.356	-1.478	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2C[C@H]3CC[C@@H]2O3)c(=O)n(C)c1=O	ZINC000376766002	263233066	/nfs/dbraw/zinc/23/30/66/263233066.db2.gz	TZWBSWXJJYSJCK-HLTSFMKQSA-N	-1	1	315.351	-1.318	20	0		DAADMM
CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-][C@@H](CO)C(=O)OC	ZINC000036818114	263234454	/nfs/dbraw/zinc/23/44/54/263234454.db2.gz	BJAVQXDQIVPDTH-DTWKUNHWSA-N	-1	1	324.355	-1.618	20	0		DAADMM
COCC[C@@H](CO)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000336836107	263235353	/nfs/dbraw/zinc/23/53/53/263235353.db2.gz	BKKUQLGVVFMBQC-QMMMGPOBSA-N	-1	1	321.355	-2.240	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H](CO)C(C)(C)C)c(=O)n(C)c1=O	ZINC000272826766	263238143	/nfs/dbraw/zinc/23/81/43/263238143.db2.gz	GBJDRSQDFUJHHQ-SECBINFHSA-N	-1	1	319.383	-1.231	20	0		DAADMM
CC[C@@H](O)CCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000398541570	263239308	/nfs/dbraw/zinc/23/93/08/263239308.db2.gz	CMUVLKKELLDJJB-SECBINFHSA-N	-1	1	319.383	-1.087	20	0		DAADMM
COCCN1C[C@H](C(=O)N2CCO[C@H](c3nn[n-]n3)C2)CC1=O	ZINC000370859635	263242112	/nfs/dbraw/zinc/24/21/12/263242112.db2.gz	HNACICYNPSBBRZ-ZJUUUORDSA-N	-1	1	324.341	-1.406	20	0		DAADMM
COCCN1C[C@H](C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CC1=O	ZINC000370859632	263249845	/nfs/dbraw/zinc/24/98/45/263249845.db2.gz	HNACICYNPSBBRZ-NXEZZACHSA-N	-1	1	324.341	-1.406	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC2(CO)CCC2)c(=O)n(C)c1=O	ZINC000332444664	263253921	/nfs/dbraw/zinc/25/39/21/263253921.db2.gz	FQHNAPWIOSOPCR-UHFFFAOYSA-N	-1	1	317.367	-1.475	20	0		DAADMM
COCC[C@H]([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)C(=O)OC	ZINC000352593351	263258400	/nfs/dbraw/zinc/25/84/00/263258400.db2.gz	PUPVESALDCDFIN-BDAKNGLRSA-N	-1	1	310.372	-1.039	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N1CCN2C(=O)NC[C@H]2C1	ZINC000343792508	263259095	/nfs/dbraw/zinc/25/90/95/263259095.db2.gz	CNCSCIWVNPODHO-VIFPVBQESA-N	-1	1	319.321	-1.247	20	0		DAADMM
CCC[C@H](NC(=O)CN1CCS(=O)(=O)CC1)c1nn[n-]n1	ZINC000434772279	263267552	/nfs/dbraw/zinc/26/75/52/263267552.db2.gz	CWYVGSRAJLRDCR-VIFPVBQESA-N	-1	1	316.387	-1.113	20	0		DAADMM
CCN1CCO[C@H](C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1	ZINC000352797896	263268303	/nfs/dbraw/zinc/26/83/03/263268303.db2.gz	STESDYHWARLSPS-ZETCQYMHSA-N	-1	1	303.344	-1.133	20	0		DAADMM
CCN1CCO[C@H](C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1	ZINC000352797896	263268307	/nfs/dbraw/zinc/26/83/07/263268307.db2.gz	STESDYHWARLSPS-ZETCQYMHSA-N	-1	1	303.344	-1.133	20	0		DAADMM
O=C(Cn1nc2ccccn2c1=O)NC1(c2nn[n-]n2)CC1	ZINC000348297005	263271315	/nfs/dbraw/zinc/27/13/15/263271315.db2.gz	IUHJGDITJQCGPF-UHFFFAOYSA-N	-1	1	300.282	-1.185	20	0		DAADMM
COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](O)C(=O)OC)o1	ZINC000343493541	263274973	/nfs/dbraw/zinc/27/49/73/263274973.db2.gz	AGSOVEFULJCFIF-LURJTMIESA-N	-1	1	307.280	-1.122	20	0		DAADMM
C[C@@H]1OCCN(C(=O)CNC(=O)c2ncccc2[O-])[C@H]1C(N)=O	ZINC000348828952	263276485	/nfs/dbraw/zinc/27/64/85/263276485.db2.gz	RVEYWOIRHZAKKV-QPUJVOFHSA-N	-1	1	322.321	-1.382	20	0		DAADMM
O=C(CNC(=O)c1ncccc1O)NC1(c2nn[n-]n2)CC1	ZINC000357057348	263281403	/nfs/dbraw/zinc/28/14/03/263281403.db2.gz	PYAWDAWLQXJISQ-UHFFFAOYSA-N	-1	1	303.282	-1.164	20	0		DAADMM
CCOC(=O)[C@H](CO)NC(=O)c1coc(S(=O)(=O)[N-]C)c1	ZINC000360601773	263283881	/nfs/dbraw/zinc/28/38/81/263283881.db2.gz	WCVZEEJTUMIIOS-QMMMGPOBSA-N	-1	1	320.323	-1.159	20	0		DAADMM
CC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)OC	ZINC000267923554	263291927	/nfs/dbraw/zinc/29/19/27/263291927.db2.gz	QZAYFWDUMANEOZ-SSDOTTSWSA-N	-1	1	319.339	-1.686	20	0		DAADMM
NC(=O)CN1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1	ZINC000343347603	263306048	/nfs/dbraw/zinc/30/60/48/263306048.db2.gz	AONXGBPMWFLZKJ-UHFFFAOYSA-N	-1	1	321.337	-1.854	20	0		DAADMM
C[C@@H](C[S@](C)=O)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000330843421	263307545	/nfs/dbraw/zinc/30/75/45/263307545.db2.gz	NDPFJJZAPDWSGI-IIYDVTGLSA-N	-1	1	323.396	-1.871	20	0		DAADMM
CN1C(=O)C(=O)N(CC(=O)NC2(c3nn[n-]n3)CCCC2)C1=O	ZINC000346337562	263313094	/nfs/dbraw/zinc/31/30/94/263313094.db2.gz	TUSJGKSOZGATOQ-UHFFFAOYSA-N	-1	1	321.297	-1.494	20	0		DAADMM
COC(=O)C[C@@H]([N-]S(=O)(=O)N1CCOCC1)C(=O)OC	ZINC000330698077	263315157	/nfs/dbraw/zinc/31/51/57/263315157.db2.gz	DPZFDCWEJYQPEZ-MRVPVSSYSA-N	-1	1	310.328	-1.742	20	0		DAADMM
COC[C@H](CO)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000234818256	263317308	/nfs/dbraw/zinc/31/73/08/263317308.db2.gz	KVLXOTIYOHGGHB-ZETCQYMHSA-N	-1	1	307.328	-2.630	20	0		DAADMM
Cn1ncc2c1[n-]cc(C(=O)N1CCN(C(=O)CO)CC1)c2=O	ZINC000358357974	263319719	/nfs/dbraw/zinc/31/97/19/263319719.db2.gz	RSYHDFFMURBIJM-UHFFFAOYSA-N	-1	1	319.321	-1.049	20	0		DAADMM
CC(=O)NCC(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001194674253	782043117	/nfs/dbraw/zinc/04/31/17/782043117.db2.gz	JOHZXFUHMSVHDU-UHFFFAOYSA-N	-1	1	310.358	-1.721	20	0		DAADMM
CC(=O)N(C)CC(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001194925972	782050945	/nfs/dbraw/zinc/05/09/45/782050945.db2.gz	JUBFGVPJBLFPQO-UHFFFAOYSA-N	-1	1	324.385	-1.379	20	0		DAADMM
C[C@H]1C(=O)NCCN1C(=O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2	ZINC000287888132	290306878	/nfs/dbraw/zinc/30/68/78/290306878.db2.gz	TVSHSTRLSUZBCT-XFOUOXGESA-N	-1	1	316.321	-1.373	20	0		DAADMM
CCOC(=O)CNC(=S)Nc1c(O)[nH]c(=O)[n-]c1=S	ZINC001195578450	782070799	/nfs/dbraw/zinc/07/07/99/782070799.db2.gz	JPNCAKCSNZXASD-RXMQYKEDSA-N	-1	1	304.353	-1.451	20	0		DAADMM
COC(=O)c1coc(S(=O)(=O)[N-][C@@]2(C(N)=O)CCOC2)c1	ZINC000565222971	332648198	/nfs/dbraw/zinc/64/81/98/332648198.db2.gz	VTYLGDPXHMOGIM-NSHDSACASA-N	-1	1	318.307	-1.011	20	0		DAADMM
O=C(CCc1c[nH]nn1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O	ZINC001196291140	782099160	/nfs/dbraw/zinc/09/91/60/782099160.db2.gz	OOHADVCUKZBKIS-RKDXNWHRSA-N	-1	1	322.329	-2.078	20	0		DAADMM
O=C(CCc1cnn[nH]1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O	ZINC001196291140	782099167	/nfs/dbraw/zinc/09/91/67/782099167.db2.gz	OOHADVCUKZBKIS-RKDXNWHRSA-N	-1	1	322.329	-2.078	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCC2(CO)CC2)c(=O)n(C)c1=O	ZINC000395890050	337228092	/nfs/dbraw/zinc/22/80/92/337228092.db2.gz	ZJDXPJJJNPPJET-UHFFFAOYSA-N	-1	1	317.367	-1.475	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CN(C)NC2=O)o1	ZINC000539780254	340899532	/nfs/dbraw/zinc/89/95/32/340899532.db2.gz	HIBOFEFGHCTANY-LURJTMIESA-N	-1	1	302.312	-1.737	20	0		DAADMM
COC[C@H]([N-]S(=O)(=O)CCCN1CCOCC1)C(=O)OC	ZINC000545210156	341114129	/nfs/dbraw/zinc/11/41/29/341114129.db2.gz	AVYAYEMIGDGYNY-NSHDSACASA-N	-1	1	324.399	-1.184	20	0		DAADMM
COC[C@@H]([N-]S(=O)(=O)CCCN1CCOCC1)C(=O)OC	ZINC000545210155	341114102	/nfs/dbraw/zinc/11/41/02/341114102.db2.gz	AVYAYEMIGDGYNY-LLVKDONJSA-N	-1	1	324.399	-1.184	20	0		DAADMM
CN1CCN(CC(=O)NC2(c3nn[n-]n3)CCCC2)CC1=O	ZINC000547711727	341228169	/nfs/dbraw/zinc/22/81/69/341228169.db2.gz	PMTIKIIETZQNSQ-UHFFFAOYSA-N	-1	1	307.358	-1.141	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCC(C)(CO)CO)o1	ZINC000552424488	341393094	/nfs/dbraw/zinc/39/30/94/341393094.db2.gz	CPHKJNZCWGEFCE-UHFFFAOYSA-N	-1	1	306.340	-1.092	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCC2CC(O)C2)c(=O)n(C)c1=O	ZINC000574705891	341766623	/nfs/dbraw/zinc/76/66/23/341766623.db2.gz	LBEIOTFTIUYHHM-UHFFFAOYSA-N	-1	1	317.367	-1.477	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001196752993	782112746	/nfs/dbraw/zinc/11/27/46/782112746.db2.gz	JEXXWOGWSYGAGJ-JTQLQIEISA-N	-1	1	324.385	-1.346	20	0		DAADMM
NC(=O)C[N-]C(=O)C(F)(F)C(F)(F)C(=O)NCC(N)=O	ZINC000266214896	526886610	/nfs/dbraw/zinc/88/66/10/526886610.db2.gz	AHSZUIGPJXSUTN-UHFFFAOYSA-N	-1	1	302.184	-2.540	20	0		DAADMM
O=C(Cn1cnnn1)N1CCN(C(=O)c2ncccc2[O-])CC1	ZINC000338029361	527409597	/nfs/dbraw/zinc/40/95/97/527409597.db2.gz	JDIGVKVPEQLLBI-UHFFFAOYSA-N	-1	1	317.309	-1.242	20	0		DAADMM
Cn1nnc(C[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)n1	ZINC000365966669	527641755	/nfs/dbraw/zinc/64/17/55/527641755.db2.gz	LBHOBHPBYHJLNV-UHFFFAOYSA-N	-1	1	322.350	-1.026	20	0		DAADMM
NC(=O)[C@@H]1CC[C@H](CNC(=O)CNC(=O)c2ncccc2[O-])O1	ZINC000343880348	545709972	/nfs/dbraw/zinc/70/99/72/545709972.db2.gz	YCONBXHDRZMVPE-SCZZXKLOSA-N	-1	1	322.321	-1.334	20	0		DAADMM
CN1C[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1=O	ZINC000329217651	545718712	/nfs/dbraw/zinc/71/87/12/545718712.db2.gz	QNKYEEVZNCPJIH-ZETCQYMHSA-N	-1	1	316.339	-2.407	20	0		DAADMM
Cn1[n-]c(CN2CCN(CC(=O)N3CCCC3)CC2)nc1=O	ZINC000331968821	545729621	/nfs/dbraw/zinc/72/96/21/545729621.db2.gz	RKYNPQBFWWKIMN-UHFFFAOYSA-N	-1	1	308.386	-1.152	20	0		DAADMM
Cn1c(=O)ccn(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1=O	ZINC000532793176	545734609	/nfs/dbraw/zinc/73/46/09/545734609.db2.gz	JICSRUGQGRFFIO-SECBINFHSA-N	-1	1	319.325	-1.534	20	0		DAADMM
CN1C(=O)CC[C@@H](NC(=O)CNC(=O)c2ncccc2[O-])C1=O	ZINC000425082381	545760024	/nfs/dbraw/zinc/76/00/24/545760024.db2.gz	HDJQOYUEUYFTLJ-MRVPVSSYSA-N	-1	1	320.305	-1.219	20	0		DAADMM
C[C@@H]1NC(C(=O)Nc2nn[n-]n2)=NN(c2ccccc2)C1=O	ZINC000377716015	545846015	/nfs/dbraw/zinc/84/60/15/545846015.db2.gz	DTLFAYUAJQPPBC-ZETCQYMHSA-N	-1	1	300.282	-0.523	20	0		DAADMM
CC(C)[C@@H](C(=O)NCc1nn[n-]n1)N1CCCS1(=O)=O	ZINC000676473025	545872425	/nfs/dbraw/zinc/87/24/25/545872425.db2.gz	LOAJAPZUVOJQEO-VIFPVBQESA-N	-1	1	302.360	-1.124	20	0		DAADMM
O=C(NCc1nn[n-]n1)c1cc(N2CCNC(=O)C2)ccn1	ZINC000682501270	545887424	/nfs/dbraw/zinc/88/74/24/545887424.db2.gz	QBEICERYZKKZNU-UHFFFAOYSA-N	-1	1	302.298	-1.539	20	0		DAADMM
CN(Cc1nc[nH]n1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736830819	598933507	/nfs/dbraw/zinc/93/35/07/598933507.db2.gz	PUQKINPBQXMHAL-UHFFFAOYSA-N	-1	1	318.301	-1.981	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](CO)C2CC2)n(C)c1=O	ZINC000737597767	598945067	/nfs/dbraw/zinc/94/50/67/598945067.db2.gz	UPRXXZGYPXLULX-ZETCQYMHSA-N	-1	1	307.314	-1.553	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@H](CCO)C2)n(C)c1=O	ZINC000822601367	599036883	/nfs/dbraw/zinc/03/68/83/599036883.db2.gz	YGKGVPJXOTWNMV-MRVPVSSYSA-N	-1	1	321.341	-1.527	20	0		DAADMM
CC[C@@H]1COCCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736410535	599065044	/nfs/dbraw/zinc/06/50/44/599065044.db2.gz	YJXLMGQQCGQTNF-MRVPVSSYSA-N	-1	1	321.341	-1.121	20	0		DAADMM
CNC(=O)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000736879673	599135002	/nfs/dbraw/zinc/13/50/02/599135002.db2.gz	YTHUXDSXESBUHR-UHFFFAOYSA-N	-1	1	305.254	-1.126	20	0		DAADMM
CNC(=O)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000736879673	599135003	/nfs/dbraw/zinc/13/50/03/599135003.db2.gz	YTHUXDSXESBUHR-UHFFFAOYSA-N	-1	1	305.254	-1.126	20	0		DAADMM
O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCNC1=O	ZINC000738221373	599136191	/nfs/dbraw/zinc/13/61/91/599136191.db2.gz	WBXATAPZLSLQAD-UHFFFAOYSA-N	-1	1	317.265	-1.030	20	0		DAADMM
O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCNC1=O	ZINC000738221373	599136193	/nfs/dbraw/zinc/13/61/93/599136193.db2.gz	WBXATAPZLSLQAD-UHFFFAOYSA-N	-1	1	317.265	-1.030	20	0		DAADMM
NC(=O)C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1	ZINC000822859331	607259843	/nfs/dbraw/zinc/25/98/43/607259843.db2.gz	GPHJFCGPOGEKCW-UHFFFAOYSA-N	-1	1	309.311	-1.442	20	0		DAADMM
NC(=O)C1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1	ZINC000822859331	607259844	/nfs/dbraw/zinc/25/98/44/607259844.db2.gz	GPHJFCGPOGEKCW-UHFFFAOYSA-N	-1	1	309.311	-1.442	20	0		DAADMM
CC(=O)NCCN(CCN1CCCS1(=O)=O)[C@@H](C)C(=O)[O-]	ZINC000819770406	597677337	/nfs/dbraw/zinc/67/73/37/597677337.db2.gz	QVZGJIDKBMETQI-JTQLQIEISA-N	-1	1	321.399	-1.067	20	0		DAADMM
CNC(=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000736873911	598267662	/nfs/dbraw/zinc/26/76/62/598267662.db2.gz	OJGXQEZZSUHODY-UHFFFAOYSA-N	-1	1	311.327	-1.324	20	0		DAADMM
CNC(=O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000736873911	598267663	/nfs/dbraw/zinc/26/76/63/598267663.db2.gz	OJGXQEZZSUHODY-UHFFFAOYSA-N	-1	1	311.327	-1.324	20	0		DAADMM
COC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)CC1	ZINC000736931758	598341060	/nfs/dbraw/zinc/34/10/60/598341060.db2.gz	VCPVUUIXLSUOKU-UHFFFAOYSA-N	-1	1	304.314	-1.048	20	0		DAADMM
COC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)CC1	ZINC000736931758	598341061	/nfs/dbraw/zinc/34/10/61/598341061.db2.gz	VCPVUUIXLSUOKU-UHFFFAOYSA-N	-1	1	304.314	-1.048	20	0		DAADMM
CCNC(=O)CN1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1	ZINC000736576245	598385198	/nfs/dbraw/zinc/38/51/98/598385198.db2.gz	NDUNZJJTVCTEQC-UHFFFAOYSA-N	-1	1	317.357	-1.085	20	0		DAADMM
CCNC(=O)CN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1	ZINC000736576245	598385200	/nfs/dbraw/zinc/38/52/00/598385200.db2.gz	NDUNZJJTVCTEQC-UHFFFAOYSA-N	-1	1	317.357	-1.085	20	0		DAADMM
CCn1cc(-c2nn[n-]n2)c(=O)n(CCn2cncn2)c1=O	ZINC000736712765	598415545	/nfs/dbraw/zinc/41/55/45/598415545.db2.gz	BBVWOQCKBHXYCW-UHFFFAOYSA-N	-1	1	303.286	-1.498	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@](C)(O)C2CC2)n(C)c1=O	ZINC000737597240	598756435	/nfs/dbraw/zinc/75/64/35/598756435.db2.gz	RQELELCWDZUPOK-CYBMUJFWSA-N	-1	1	321.341	-1.163	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H]2CO)n(C)c1=O	ZINC000737597805	598816802	/nfs/dbraw/zinc/81/68/02/598816802.db2.gz	UZSGVLKSQZWTDX-ZETCQYMHSA-N	-1	1	307.314	-1.775	20	0		DAADMM
C[C@@H](CC(N)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000820233434	599346486	/nfs/dbraw/zinc/34/64/86/599346486.db2.gz	KHCXXIHKNTVHTD-LURJTMIESA-N	-1	1	311.327	-1.196	20	0		DAADMM
C[C@@H](CC(N)=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000820233434	599346487	/nfs/dbraw/zinc/34/64/87/599346487.db2.gz	KHCXXIHKNTVHTD-LURJTMIESA-N	-1	1	311.327	-1.196	20	0		DAADMM
C[C@H](CC(N)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000820233442	599346544	/nfs/dbraw/zinc/34/65/44/599346544.db2.gz	KHCXXIHKNTVHTD-ZCFIWIBFSA-N	-1	1	311.327	-1.196	20	0		DAADMM
C[C@H](CC(N)=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000820233442	599346546	/nfs/dbraw/zinc/34/65/46/599346546.db2.gz	KHCXXIHKNTVHTD-ZCFIWIBFSA-N	-1	1	311.327	-1.196	20	0		DAADMM
CCn1cc(-c2nn[n-]n2)c(=O)n(CC2(O)CCOCC2)c1=O	ZINC000821565347	607379997	/nfs/dbraw/zinc/37/99/97/607379997.db2.gz	OTLZFVXTSZVUQG-UHFFFAOYSA-N	-1	1	322.325	-1.249	20	0		DAADMM
CCNC(=O)CN1CCN(CCC(=O)N(C)CC(=O)[O-])CC1	ZINC000737120992	600159516	/nfs/dbraw/zinc/15/95/16/600159516.db2.gz	BDDKXXHVNUWYIR-UHFFFAOYSA-N	-1	1	314.386	-1.327	20	0		DAADMM
CN(CC(=O)[O-])C(=O)CCN1CC[C@H](NS(C)(=O)=O)C1	ZINC000737403078	600262072	/nfs/dbraw/zinc/26/20/72/600262072.db2.gz	SHCMXSGLDYYVDR-VIFPVBQESA-N	-1	1	307.372	-1.457	20	0		DAADMM
C[C@H](CS(=O)(=O)N1CCN(C(=O)CN(C)C)CC1)C(=O)[O-]	ZINC000827547504	601275079	/nfs/dbraw/zinc/27/50/79/601275079.db2.gz	UCVOXWIZNUYGKY-SNVBAGLBSA-N	-1	1	321.399	-1.257	20	0		DAADMM
C[C@@H](C(=O)NCC(=O)[O-])N(C)C[C@@H](O)CN1CCOCC1	ZINC000825999646	601327024	/nfs/dbraw/zinc/32/70/24/601327024.db2.gz	GHOUIKNYBSHBTO-WDEREUQCSA-N	-1	1	303.359	-1.799	20	0		DAADMM
CN(CCC(=O)NC(N)=O)CC(=O)N1CCN(C(=O)[O-])CC1	ZINC000739664321	602376292	/nfs/dbraw/zinc/37/62/92/602376292.db2.gz	PCTWOLGHQYKHOG-UHFFFAOYSA-N	-1	1	315.330	-1.675	20	0		DAADMM
O=C([O-])NCC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1	ZINC000738650501	602769770	/nfs/dbraw/zinc/76/97/70/602769770.db2.gz	DORLHAPBDXFPNF-LLVKDONJSA-N	-1	1	300.359	-1.223	20	0		DAADMM
CN1CCN(CCNC(=O)[C@@H]2COCCN2C(=O)[O-])CC1	ZINC000739736849	602832134	/nfs/dbraw/zinc/83/21/34/602832134.db2.gz	IITPWYBZDDCUBU-NSHDSACASA-N	-1	1	300.359	-1.271	20	0		DAADMM
O=C([O-])NCCN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1	ZINC000740659014	602929864	/nfs/dbraw/zinc/92/98/64/602929864.db2.gz	OSGWCSFGTWXAKD-ZJUUUORDSA-N	-1	1	307.372	-1.659	20	0		DAADMM
O=C([O-])NCCN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1	ZINC000740659005	602929982	/nfs/dbraw/zinc/92/99/82/602929982.db2.gz	OSGWCSFGTWXAKD-UWVGGRQHSA-N	-1	1	307.372	-1.659	20	0		DAADMM
O=C(CN1CC(=O)NC1=O)OCc1ccnc(-c2nnn[n-]2)c1	ZINC000826481367	607608154	/nfs/dbraw/zinc/60/81/54/607608154.db2.gz	RHLRLUQXPRUEJN-UHFFFAOYSA-N	-1	1	317.265	-1.143	20	0		DAADMM
O=C(CN1CC(=O)NC1=O)OCc1ccnc(-c2nn[n-]n2)c1	ZINC000826481367	607608157	/nfs/dbraw/zinc/60/81/57/607608157.db2.gz	RHLRLUQXPRUEJN-UHFFFAOYSA-N	-1	1	317.265	-1.143	20	0		DAADMM
COC[C@H](O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000826151794	607630978	/nfs/dbraw/zinc/63/09/78/607630978.db2.gz	JTUJKJPNUQTSIN-SSDOTTSWSA-N	-1	1	314.327	-1.453	20	0		DAADMM
COC[C@H](O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000826151794	607630979	/nfs/dbraw/zinc/63/09/79/607630979.db2.gz	JTUJKJPNUQTSIN-SSDOTTSWSA-N	-1	1	314.327	-1.453	20	0		DAADMM
Cc1n[nH]c(CCNC(=O)CN2CCN(C(=O)[O-])CC2=O)n1	ZINC000830741666	603733036	/nfs/dbraw/zinc/73/30/36/603733036.db2.gz	MXBCPDPZXXBBQW-UHFFFAOYSA-N	-1	1	310.314	-1.406	20	0		DAADMM
COCCN1CC[C@H](NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])C1	ZINC000828985884	603769547	/nfs/dbraw/zinc/76/95/47/603769547.db2.gz	SJAFBCBFWLIFJD-HBNTYKKESA-N	-1	1	301.343	-1.064	20	0		DAADMM
COCCN1CC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])C1	ZINC000828985881	603770013	/nfs/dbraw/zinc/77/00/13/603770013.db2.gz	SJAFBCBFWLIFJD-AXFHLTTASA-N	-1	1	301.343	-1.064	20	0		DAADMM
O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1	ZINC000831271599	603771815	/nfs/dbraw/zinc/77/18/15/603771815.db2.gz	DGBSFWCTWPEMDT-GJMOJQLCSA-N	-1	1	312.286	-1.787	20	0		DAADMM
O=C([O-])N1CCN(C(=O)CNC(=O)CCc2nc[nH]n2)CC1	ZINC000831441266	604150601	/nfs/dbraw/zinc/15/06/01/604150601.db2.gz	JSGCVYOXSOCXLO-UHFFFAOYSA-N	-1	1	310.314	-1.324	20	0		DAADMM
O=C([O-])N1CCO[C@@H](C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)C1	ZINC000832050990	604853320	/nfs/dbraw/zinc/85/33/20/604853320.db2.gz	SITZJJHMZLZIAC-HTQZYQBOSA-N	-1	1	312.286	-1.522	20	0		DAADMM
O=C([O-])NCC(=O)NCC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000834197224	605342550	/nfs/dbraw/zinc/34/25/50/605342550.db2.gz	XMOTUMSQDAEZJQ-NXEZZACHSA-N	-1	1	314.342	-1.650	20	0		DAADMM
O=C([O-])NCC(=O)NCC(=O)Nc1nc(SCCO)n[nH]1	ZINC000834198667	605400372	/nfs/dbraw/zinc/40/03/72/605400372.db2.gz	LYSCSGIOQVFMPH-UHFFFAOYSA-N	-1	1	318.315	-1.789	20	0		DAADMM
CC(C)[C@@H](CO)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000820183666	606102509	/nfs/dbraw/zinc/10/25/09/606102509.db2.gz	IJZZCSJYBAKULG-SSDOTTSWSA-N	-1	1	309.330	-1.307	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@H](CO)C2)n(C)c1=O	ZINC000822599134	606105409	/nfs/dbraw/zinc/10/54/09/606105409.db2.gz	AIQJAPXPJZFBSL-ZETCQYMHSA-N	-1	1	323.313	-2.538	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NCc2ccon2)n(C)c1=O	ZINC000822600685	606165007	/nfs/dbraw/zinc/16/50/07/606165007.db2.gz	POGULEVVIBIJNW-UHFFFAOYSA-N	-1	1	304.270	-1.136	20	0		DAADMM
CN(C)C(=O)COC1CN(c2nccnc2-c2nnn[n-]2)C1	ZINC000821577897	606425504	/nfs/dbraw/zinc/42/55/04/606425504.db2.gz	BZVGCKDOWIURJS-UHFFFAOYSA-N	-1	1	304.314	-1.050	20	0		DAADMM
CN(C)C(=O)COC1CN(c2nccnc2-c2nn[n-]n2)C1	ZINC000821577897	606425506	/nfs/dbraw/zinc/42/55/06/606425506.db2.gz	BZVGCKDOWIURJS-UHFFFAOYSA-N	-1	1	304.314	-1.050	20	0		DAADMM
CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1nnnn1C	ZINC000821601417	606442732	/nfs/dbraw/zinc/44/27/32/606442732.db2.gz	GEVSPQROCOGXIN-UHFFFAOYSA-N	-1	1	304.322	-1.236	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCS(C)(=O)=O)n1	ZINC000822619639	606595995	/nfs/dbraw/zinc/59/59/95/606595995.db2.gz	CCLPJLKWAQBHHS-UHFFFAOYSA-N	-1	1	314.331	-1.234	20	0		DAADMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCS(C)(=O)=O)n1	ZINC000822619639	606595994	/nfs/dbraw/zinc/59/59/94/606595994.db2.gz	CCLPJLKWAQBHHS-UHFFFAOYSA-N	-1	1	314.331	-1.234	20	0		DAADMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCN(C)C2=O)n1	ZINC000821622206	606597306	/nfs/dbraw/zinc/59/73/06/606597306.db2.gz	WJHJDKRSKGNTSO-SSDOTTSWSA-N	-1	1	305.302	-1.048	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCN(C)C2=O)n1	ZINC000821622206	606597308	/nfs/dbraw/zinc/59/73/08/606597308.db2.gz	WJHJDKRSKGNTSO-SSDOTTSWSA-N	-1	1	305.302	-1.048	20	0		DAADMM
Cn1c(=O)[nH]cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1=O	ZINC000822589879	606642338	/nfs/dbraw/zinc/64/23/38/606642338.db2.gz	BJIYLVAJNWOZET-UHFFFAOYSA-N	-1	1	303.242	-1.867	20	0		DAADMM
Cn1cc(C(N)=O)cc1C(=O)n1ncc(-c2nn[n-]n2)c1N	ZINC000822669833	606695377	/nfs/dbraw/zinc/69/53/77/606695377.db2.gz	ROKSXEBKRRBURP-UHFFFAOYSA-N	-1	1	301.270	-1.229	20	0		DAADMM
CNC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C	ZINC000821632633	606853901	/nfs/dbraw/zinc/85/39/01/606853901.db2.gz	BEFTWYVRZCSTOX-SECBINFHSA-N	-1	1	317.357	-1.087	20	0		DAADMM
CNC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C	ZINC000821632633	606853903	/nfs/dbraw/zinc/85/39/03/606853903.db2.gz	BEFTWYVRZCSTOX-SECBINFHSA-N	-1	1	317.357	-1.087	20	0		DAADMM
COC(=O)CCCN(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821660410	607207915	/nfs/dbraw/zinc/20/79/15/607207915.db2.gz	QBTYOOHECAYAHG-UHFFFAOYSA-N	-1	1	308.302	-1.130	20	0		DAADMM
NC(=O)CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CCCC1	ZINC000822868584	607208224	/nfs/dbraw/zinc/20/82/24/607208224.db2.gz	FGTHBEQAKPKYDE-UHFFFAOYSA-N	-1	1	319.329	-1.285	20	0		DAADMM
COCCCN(CCOC)C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821687812	607209603	/nfs/dbraw/zinc/20/96/03/607209603.db2.gz	PYFLTDNMKIWCMA-UHFFFAOYSA-N	-1	1	324.345	-1.030	20	0		DAADMM
CC(C)N1CC[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1=O	ZINC000820129012	607217207	/nfs/dbraw/zinc/21/72/07/607217207.db2.gz	VHCWQKOPTYJAHW-QMMMGPOBSA-N	-1	1	319.329	-1.416	20	0		DAADMM
CCN1CCO[C@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1	ZINC000821275489	607217575	/nfs/dbraw/zinc/21/75/75/607217575.db2.gz	ABXBBUQAUNPWGE-SECBINFHSA-N	-1	1	321.345	-1.705	20	0		DAADMM
COC(=O)CC(C)(C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821657696	607218840	/nfs/dbraw/zinc/21/88/40/607218840.db2.gz	UBZTYDBULNJGFR-UHFFFAOYSA-N	-1	1	308.302	-1.084	20	0		DAADMM
CCNC(=O)C1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1	ZINC000821277795	607221410	/nfs/dbraw/zinc/22/14/10/607221410.db2.gz	ZBFILLJTOPEDAJ-UHFFFAOYSA-N	-1	1	305.302	-1.947	20	0		DAADMM
COC(=O)[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@@H]1C	ZINC000821655634	607223321	/nfs/dbraw/zinc/22/33/21/607223321.db2.gz	ONXUTRQSDKYXTK-YUMQZZPRSA-N	-1	1	320.313	-1.274	20	0		DAADMM
CCOC(=O)C[C@@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821326459	607223475	/nfs/dbraw/zinc/22/34/75/607223475.db2.gz	XUQFVHMXQHYSKG-SSDOTTSWSA-N	-1	1	308.302	-1.084	20	0		DAADMM
COC(=O)[C@@]1(C)CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1	ZINC000821652456	607223725	/nfs/dbraw/zinc/22/37/25/607223725.db2.gz	SNHARXRUXUUKAW-LBPRGKRZSA-N	-1	1	320.313	-1.130	20	0		DAADMM
COC(=O)[C@]1(C)CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1	ZINC000821652455	607223739	/nfs/dbraw/zinc/22/37/39/607223739.db2.gz	SNHARXRUXUUKAW-GFCCVEGCSA-N	-1	1	320.313	-1.130	20	0		DAADMM
COCCN(CC(=O)[O-])C(=O)Cn1cnc(-c2nn[nH]n2)n1	ZINC000821688944	607231573	/nfs/dbraw/zinc/23/15/73/607231573.db2.gz	DYXATDKBYFQJJG-UHFFFAOYSA-N	-1	1	310.274	-1.982	20	0		DAADMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@]2(O)CCOC2)n1	ZINC000826357145	607857506	/nfs/dbraw/zinc/85/75/06/607857506.db2.gz	SVYUQGKLWUXSBK-LLVKDONJSA-N	-1	1	308.302	-1.127	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@]2(O)CCOC2)n1	ZINC000826357145	607857507	/nfs/dbraw/zinc/85/75/07/607857507.db2.gz	SVYUQGKLWUXSBK-LLVKDONJSA-N	-1	1	308.302	-1.127	20	0		DAADMM
CN(c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@@H]1CCNC1=O	ZINC000826003959	607969795	/nfs/dbraw/zinc/96/97/95/607969795.db2.gz	BWMPLWJILGDLHT-ZCFIWIBFSA-N	-1	1	320.313	-2.411	20	0		DAADMM
CCOC(=O)CN(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000825512269	607986774	/nfs/dbraw/zinc/98/67/74/607986774.db2.gz	ZVYOHLZYMICIHG-UHFFFAOYSA-N	-1	1	323.313	-1.737	20	0		DAADMM
CC[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@@H]1O	ZINC000825213480	608018077	/nfs/dbraw/zinc/01/80/77/608018077.db2.gz	YYMYGCDSMJKGSP-YUMQZZPRSA-N	-1	1	321.341	-1.529	20	0		DAADMM
CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2cn(C)nn2)c1=O	ZINC000825799291	608077227	/nfs/dbraw/zinc/07/72/27/608077227.db2.gz	IDIMLUXDPQZPKG-UHFFFAOYSA-N	-1	1	303.286	-1.613	20	0		DAADMM
CCc1nnc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)n1C	ZINC000825768139	608095687	/nfs/dbraw/zinc/09/56/87/608095687.db2.gz	ZRPMBWBPUBSVRR-UHFFFAOYSA-N	-1	1	317.313	-1.534	20	0		DAADMM
COC(=O)/C(C)=C/Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O	ZINC000826098822	608096209	/nfs/dbraw/zinc/09/62/09/608096209.db2.gz	QCUDNDKMNZGJPZ-QPJJXVBHSA-N	-1	1	306.282	-1.154	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(=O)n(CCC2OCCCO2)c1=O	ZINC000826356626	608096378	/nfs/dbraw/zinc/09/63/78/608096378.db2.gz	YZNVXSIYWKTKAV-UHFFFAOYSA-N	-1	1	308.298	-1.120	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(=O)n(CCOC[C@@H]2CCCO2)c1=O	ZINC000826357054	608096384	/nfs/dbraw/zinc/09/63/84/608096384.db2.gz	PIORBCHBNRSPBV-VIFPVBQESA-N	-1	1	322.325	-1.077	20	0		DAADMM
C[C@H](C(N)=O)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000824059135	608244057	/nfs/dbraw/zinc/24/40/57/608244057.db2.gz	NORFQFPNJRZSSS-RXMQYKEDSA-N	-1	1	308.302	-2.426	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@](C)(O)C2)n(C)c1=O	ZINC000826355500	608305574	/nfs/dbraw/zinc/30/55/74/608305574.db2.gz	CDCHDNWWNYOMAG-ZDUSSCGKSA-N	-1	1	321.341	-1.385	20	0		DAADMM
CN(C)C(=O)COC1CN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC000825841483	608428824	/nfs/dbraw/zinc/42/88/24/608428824.db2.gz	XBUNOIVSBWDRKB-UHFFFAOYSA-N	-1	1	304.314	-1.050	20	0		DAADMM
CN(C)C(=O)COC1CN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC000825841483	608428826	/nfs/dbraw/zinc/42/88/26/608428826.db2.gz	XBUNOIVSBWDRKB-UHFFFAOYSA-N	-1	1	304.314	-1.050	20	0		DAADMM
COCCN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1=O	ZINC000826159399	608555625	/nfs/dbraw/zinc/55/56/25/608555625.db2.gz	DYJVSRADHVWXKZ-UHFFFAOYSA-N	-1	1	304.314	-1.048	20	0		DAADMM
COCCN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1=O	ZINC000826159399	608555627	/nfs/dbraw/zinc/55/56/27/608555627.db2.gz	DYJVSRADHVWXKZ-UHFFFAOYSA-N	-1	1	304.314	-1.048	20	0		DAADMM
O=C(NCCN1CCNC(=O)C1)c1ccc(-c2nnn[n-]2)nc1	ZINC000826481382	609288122	/nfs/dbraw/zinc/28/81/22/609288122.db2.gz	RRRFYCWOVAGGMI-UHFFFAOYSA-N	-1	1	316.325	-1.577	20	0		DAADMM
O=C(NCCN1CCNC(=O)C1)c1ccc(-c2nn[n-]n2)nc1	ZINC000826481382	609288123	/nfs/dbraw/zinc/28/81/23/609288123.db2.gz	RRRFYCWOVAGGMI-UHFFFAOYSA-N	-1	1	316.325	-1.577	20	0		DAADMM
CNC(=O)[C@@H](O)C[N-]S(=O)(=O)c1ccc(C(=O)OC)o1	ZINC000757723203	663806654	/nfs/dbraw/zinc/80/66/54/663806654.db2.gz	BBXDHTGPMRKOTI-LURJTMIESA-N	-1	1	306.296	-1.549	20	0		DAADMM
Cn1c(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)c[nH]c1=O	ZINC000969576259	662322632	/nfs/dbraw/zinc/32/26/32/662322632.db2.gz	FMQCALUGBVPGKG-SSDOTTSWSA-N	-1	1	307.314	-1.046	20	0		DAADMM
C[C@@H](NC(=O)c1ncn(C)n1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000969595597	662323526	/nfs/dbraw/zinc/32/35/26/662323526.db2.gz	AFZUHXKKFNJPFR-MRVPVSSYSA-N	-1	1	320.357	-1.513	20	0		DAADMM
CN1CC[C@H](C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)C1=O	ZINC000969645300	662324188	/nfs/dbraw/zinc/32/41/88/662324188.db2.gz	VRTJHOADOYWBPR-BDAKNGLRSA-N	-1	1	308.342	-1.321	20	0		DAADMM
Cn1ncc(CCC(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)n1	ZINC000969981096	662335799	/nfs/dbraw/zinc/33/57/99/662335799.db2.gz	VRHDNTYHKDFODW-SNVBAGLBSA-N	-1	1	320.357	-1.038	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)c2cncnc2)nc1=O	ZINC001038180127	662345974	/nfs/dbraw/zinc/34/59/74/662345974.db2.gz	MCUDRUUSOZMWRN-JTQLQIEISA-N	-1	1	303.326	-1.097	20	0		DAADMM
C[C@H](NC(=O)[C@H]1CCNC1=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000970265363	662355524	/nfs/dbraw/zinc/35/55/24/662355524.db2.gz	PLVBMYFAFYQXNJ-WPRPVWTQSA-N	-1	1	322.369	-1.819	20	0		DAADMM
C[C@@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000970282696	662355957	/nfs/dbraw/zinc/35/59/57/662355957.db2.gz	XFIBQEATSIRHPH-GOONRYMUSA-N	-1	1	321.381	-1.063	20	0		DAADMM
C[C@@H](NC(=O)c1nnn(C)n1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000970290217	662357692	/nfs/dbraw/zinc/35/76/92/662357692.db2.gz	WDSYYVOTMRLODU-SSDOTTSWSA-N	-1	1	321.345	-2.118	20	0		DAADMM
C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000970432188	662361380	/nfs/dbraw/zinc/36/13/80/662361380.db2.gz	WKTKPTUWPFEAIH-QNSHHTMESA-N	-1	1	322.369	-1.834	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]3[C@H](CCCN3C(=O)C(N)=O)C2)nc1=O	ZINC001021661064	662377179	/nfs/dbraw/zinc/37/71/79/662377179.db2.gz	JYONCJDRLXDXIF-NXEZZACHSA-N	-1	1	322.369	-1.593	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)Cn2cnnn2)C1	ZINC000971046372	662378107	/nfs/dbraw/zinc/37/81/07/662378107.db2.gz	RBTFMILQFBEUIZ-VIFPVBQESA-N	-1	1	321.345	-2.172	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@@H]2CN(C)CCO2)nc1=O	ZINC001038137513	662383017	/nfs/dbraw/zinc/38/30/17/662383017.db2.gz	PEMAOPUYHPVMGW-QWRGUYRKSA-N	-1	1	324.385	-1.871	20	0		DAADMM
Cn1[n-]c(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCOCC3)C2)nc1=O	ZINC001021980335	662384044	/nfs/dbraw/zinc/38/40/44/662384044.db2.gz	NXXZVSRARPOTTR-PHIMTYICSA-N	-1	1	324.385	-1.823	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)Cn2nccn2)C1	ZINC000971608241	662386376	/nfs/dbraw/zinc/38/63/76/662386376.db2.gz	LBQNOAGIXAZMED-JTQLQIEISA-N	-1	1	320.357	-1.567	20	0		DAADMM
Cn1cc(C(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)nn1	ZINC001038217094	662387140	/nfs/dbraw/zinc/38/71/40/662387140.db2.gz	YIAICIRRLBJAIQ-MRVPVSSYSA-N	-1	1	306.330	-1.759	20	0		DAADMM
Cn1cnnc1CN[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001022369713	662391294	/nfs/dbraw/zinc/39/12/94/662391294.db2.gz	NNXZNXDPGAXWAG-KNVOCYPGSA-N	-1	1	320.313	-1.538	20	0		DAADMM
CC[C@@H](C(N)=O)N(C)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000971869622	662393037	/nfs/dbraw/zinc/39/30/37/662393037.db2.gz	LSKTUJJJECEZBP-YUMQZZPRSA-N	-1	1	324.341	-1.307	20	0		DAADMM
C[C@@H](C(N)=O)N(C)[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1	ZINC000972062667	662399404	/nfs/dbraw/zinc/39/94/04/662399404.db2.gz	DCBDTFSUSHUKAF-IUCAKERBSA-N	-1	1	323.353	-1.494	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1	ZINC000972208300	662403343	/nfs/dbraw/zinc/40/33/43/662403343.db2.gz	YHRDBDQZQXMXPO-DTWKUNHWSA-N	-1	1	323.357	-2.178	20	0		DAADMM
Cn1cc(CN[C@H]2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)nn1	ZINC001023027758	662425390	/nfs/dbraw/zinc/42/53/90/662425390.db2.gz	UUAAVFIWKQTJFT-OCAPTIKFSA-N	-1	1	322.329	-1.745	20	0		DAADMM
C[C@H](C(N)=O)N1CCC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001023468142	662449019	/nfs/dbraw/zinc/44/90/19/662449019.db2.gz	KKDSWKLWLVPDCR-HTQZYQBOSA-N	-1	1	324.341	-1.402	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC(=O)NC2CC2)c(=O)n(C)c1=O	ZINC000052794411	662451816	/nfs/dbraw/zinc/45/18/16/662451816.db2.gz	KHLKVQKXOLOGMM-UHFFFAOYSA-N	-1	1	316.339	-2.359	20	0		DAADMM
O=C(Cn1cnnn1)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1	ZINC000972949861	662482004	/nfs/dbraw/zinc/48/20/04/662482004.db2.gz	AJLHEAQUSSFSBX-KYZUINATSA-N	-1	1	317.309	-1.149	20	0		DAADMM
CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001024766011	662483494	/nfs/dbraw/zinc/48/34/94/662483494.db2.gz	HZMOOGYRKOOAJN-RKDXNWHRSA-N	-1	1	306.282	-2.261	20	0		DAADMM
O=C(Cn1cnnn1)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001024861070	662485798	/nfs/dbraw/zinc/48/57/98/662485798.db2.gz	LSKFNQWHYMLGNT-SECBINFHSA-N	-1	1	321.345	-1.332	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](NC(=O)c2ncn[nH]2)C1	ZINC000973491119	662518715	/nfs/dbraw/zinc/51/87/15/662518715.db2.gz	PRSLXMSOFQSUSE-IZLXSQMJSA-N	-1	1	322.285	-2.115	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H](NC(=O)c2nc[nH]n2)C1	ZINC000973491119	662518717	/nfs/dbraw/zinc/51/87/17/662518717.db2.gz	PRSLXMSOFQSUSE-IZLXSQMJSA-N	-1	1	322.285	-2.115	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@H]2CCCNC2=O)nc1=O	ZINC001038361910	662547580	/nfs/dbraw/zinc/54/75/80/662547580.db2.gz	SEQUBOPSRUATHU-UWVGGRQHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@H]21	ZINC000976011108	662577314	/nfs/dbraw/zinc/57/73/14/662577314.db2.gz	TZOXTFATJOAHKU-VROVMSAKSA-N	-1	1	302.294	-1.376	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)c2ccnnc2)nc1=O	ZINC001038741778	662596998	/nfs/dbraw/zinc/59/69/98/662596998.db2.gz	BKUCADKJQSYZIP-SNVBAGLBSA-N	-1	1	303.326	-1.097	20	0		DAADMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)CC(N)=O)CCO1	ZINC000979236567	662622479	/nfs/dbraw/zinc/62/24/79/662622479.db2.gz	MRAJYQSAGDOXSX-SFYZADRCSA-N	-1	1	312.330	-1.909	20	0		DAADMM
C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1	ZINC000979344438	662623374	/nfs/dbraw/zinc/62/33/74/662623374.db2.gz	OOWONNYTQRBRIG-CBAPKCEASA-N	-1	1	322.329	-1.352	20	0		DAADMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)c2cnon2)CCO1	ZINC000979419802	662624520	/nfs/dbraw/zinc/62/45/20/662624520.db2.gz	WLTCBENKZWSVAC-VXNVDRBHSA-N	-1	1	323.313	-1.087	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)Cn2cncn2)C1	ZINC000980340193	662635557	/nfs/dbraw/zinc/63/55/57/662635557.db2.gz	XRRMCXSFBXAONH-JTQLQIEISA-N	-1	1	320.357	-1.567	20	0		DAADMM
CC(C)C[C@@H](O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000228549060	662636443	/nfs/dbraw/zinc/63/64/43/662636443.db2.gz	SGNFSHSIOGZSJC-SECBINFHSA-N	-1	1	319.383	-1.231	20	0		DAADMM
Cn1cc(C(=O)N2CCCN(Cc3nc(=O)n(C)[n-]3)CC2)nn1	ZINC000981099443	662641719	/nfs/dbraw/zinc/64/17/19/662641719.db2.gz	ASUIBLQSFIYSDR-UHFFFAOYSA-N	-1	1	320.357	-1.415	20	0		DAADMM
Cn1nnc(C(=O)NC[C@@H]2CCCN2Cc2nc(=O)n(C)[n-]2)n1	ZINC001028078212	662644207	/nfs/dbraw/zinc/64/42/07/662644207.db2.gz	FRTYMLNJMKNIQK-QMMMGPOBSA-N	-1	1	321.345	-1.974	20	0		DAADMM
Cn1[n-]c(CN2CCCN(C(=O)C(C)(C)C(N)=O)CC2)nc1=O	ZINC000981385346	662644482	/nfs/dbraw/zinc/64/44/82/662644482.db2.gz	PAMKWVIBTSDXBO-UHFFFAOYSA-N	-1	1	324.385	-1.346	20	0		DAADMM
O=C(CCc1n[nH]c(=O)[n-]c1=O)N1CCCN(CCO)CC1	ZINC000981535070	662645380	/nfs/dbraw/zinc/64/53/80/662645380.db2.gz	NBDMLIHZHWLAQM-UHFFFAOYSA-N	-1	1	311.342	-1.258	20	0		DAADMM
Cn1nnc(C(=O)N2CCCN(Cc3nc(=O)n(C)[n-]3)CC2)n1	ZINC000981777972	662647003	/nfs/dbraw/zinc/64/70/03/662647003.db2.gz	XAOUOEDNHBQNQG-UHFFFAOYSA-N	-1	1	321.345	-2.020	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)nc1=O	ZINC001028139681	662648464	/nfs/dbraw/zinc/64/84/64/662648464.db2.gz	BPAUAZBMELKNEC-BBBLOLIVSA-N	-1	1	322.369	-1.690	20	0		DAADMM
Cn1ncc(C(=O)NC[C@H]2CCCN2Cc2nc(=O)n(C)[n-]2)n1	ZINC001028198813	662651659	/nfs/dbraw/zinc/65/16/59/662651659.db2.gz	RESUBRGJIIVGOE-SECBINFHSA-N	-1	1	320.357	-1.369	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[N@H+](CCO)CC1	ZINC000982227493	662653241	/nfs/dbraw/zinc/65/32/41/662653241.db2.gz	XSJIMIOVQTXJBO-UHFFFAOYSA-N	-1	1	310.354	-1.547	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H]2CNC(=O)[C@@H]2CCC(=O)N2)nc1=O	ZINC001028269850	662656988	/nfs/dbraw/zinc/65/69/88/662656988.db2.gz	WWGDATSNUXSSEJ-UWVGGRQHSA-N	-1	1	322.369	-1.532	20	0		DAADMM
C[C@@H](CN1CCOCC1)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000726867666	662681153	/nfs/dbraw/zinc/68/11/53/662681153.db2.gz	OHNRBOJIZFGQDS-NSHDSACASA-N	-1	1	310.354	-1.236	20	0		DAADMM
CNC(=O)[C@H](C)N1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001028662510	662683573	/nfs/dbraw/zinc/68/35/73/662683573.db2.gz	YLINMSVXHAYDSP-YUMQZZPRSA-N	-1	1	324.341	-1.531	20	0		DAADMM
CNC(=O)[C@@H](C)N1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001028662507	662683623	/nfs/dbraw/zinc/68/36/23/662683623.db2.gz	YLINMSVXHAYDSP-HTQZYQBOSA-N	-1	1	324.341	-1.531	20	0		DAADMM
CC(=O)NC[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC000982994670	662683954	/nfs/dbraw/zinc/68/39/54/662683954.db2.gz	CURUGKJLLIEAEK-LLVKDONJSA-N	-1	1	308.338	-1.089	20	0		DAADMM
CNC(=O)CN1CC[C@@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001028662097	662684013	/nfs/dbraw/zinc/68/40/13/662684013.db2.gz	SZAQRPNZKZZJRG-ZETCQYMHSA-N	-1	1	310.314	-1.920	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)nc1=O	ZINC001028751755	662689882	/nfs/dbraw/zinc/68/98/82/662689882.db2.gz	AGOHETIMPOKCQS-MEWQQHAOSA-N	-1	1	321.381	-1.061	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)nc1=O	ZINC001028773908	662690992	/nfs/dbraw/zinc/69/09/92/662690992.db2.gz	OYRAZIUIJNZRAA-IUCAKERBSA-N	-1	1	323.357	-2.272	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)nc1=O	ZINC001028807963	662692274	/nfs/dbraw/zinc/69/22/74/662692274.db2.gz	YHYPQYQBAPYKFR-BBBLOLIVSA-N	-1	1	322.369	-1.832	20	0		DAADMM
NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001028853405	662692659	/nfs/dbraw/zinc/69/26/59/662692659.db2.gz	MLVAAPBQEMYYPI-SECBINFHSA-N	-1	1	318.337	-1.440	20	0		DAADMM
NC(=O)CN1CC[C@H](CNC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001028853405	662692661	/nfs/dbraw/zinc/69/26/61/662692661.db2.gz	MLVAAPBQEMYYPI-SECBINFHSA-N	-1	1	318.337	-1.440	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1	ZINC001029737200	662711767	/nfs/dbraw/zinc/71/17/67/662711767.db2.gz	GDFRKBCKSLBBHN-VIFPVBQESA-N	-1	1	321.345	-1.523	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1	ZINC001029822036	662712645	/nfs/dbraw/zinc/71/26/45/662712645.db2.gz	XRHSXWZLGKTMCS-BDAKNGLRSA-N	-1	1	323.357	-1.528	20	0		DAADMM
C[C@@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)Cn1ncnn1	ZINC000986285239	662716914	/nfs/dbraw/zinc/71/69/14/662716914.db2.gz	DMTMLSBKMUWJDP-SFYZADRCSA-N	-1	1	307.318	-1.724	20	0		DAADMM
C[C@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)c1c[nH]c(=O)cn1	ZINC000986750333	662718966	/nfs/dbraw/zinc/71/89/66/662718966.db2.gz	SSCNXXRWOBRFIV-JGVFFNPUSA-N	-1	1	319.325	-1.014	20	0		DAADMM
C[C@@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)c1c[nH]c(=O)cn1	ZINC000986750335	662719251	/nfs/dbraw/zinc/71/92/51/662719251.db2.gz	SSCNXXRWOBRFIV-SFYZADRCSA-N	-1	1	319.325	-1.014	20	0		DAADMM
C[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)Cn1cnnn1	ZINC000988012999	662723718	/nfs/dbraw/zinc/72/37/18/662723718.db2.gz	YXXBAWNNLHJTSF-JGVFFNPUSA-N	-1	1	307.318	-1.724	20	0		DAADMM
C[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)Cn1cnnn1	ZINC000988013000	662723811	/nfs/dbraw/zinc/72/38/11/662723811.db2.gz	YXXBAWNNLHJTSF-SFYZADRCSA-N	-1	1	307.318	-1.724	20	0		DAADMM
C[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)Cn1cnnn1	ZINC000988012997	662723939	/nfs/dbraw/zinc/72/39/39/662723939.db2.gz	YXXBAWNNLHJTSF-HTQZYQBOSA-N	-1	1	307.318	-1.724	20	0		DAADMM
Cn1nnc(C(=O)N2CC[C@H](NC(=O)c3ncccc3[O-])C2)n1	ZINC000937863936	662732542	/nfs/dbraw/zinc/73/25/42/662732542.db2.gz	LBQDXDKMSJGFJJ-QMMMGPOBSA-N	-1	1	317.309	-1.045	20	0		DAADMM
C[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)Cn1nccn1	ZINC000988897246	662740676	/nfs/dbraw/zinc/74/06/76/662740676.db2.gz	FPQOOEPZIZVDHI-RKDXNWHRSA-N	-1	1	306.330	-1.119	20	0		DAADMM
C[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)Cn1nccn1	ZINC000988897242	662740695	/nfs/dbraw/zinc/74/06/95/662740695.db2.gz	FPQOOEPZIZVDHI-IUCAKERBSA-N	-1	1	306.330	-1.119	20	0		DAADMM
C[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)c1c[nH]c(=O)cn1	ZINC000989373050	662744109	/nfs/dbraw/zinc/74/41/09/662744109.db2.gz	BDKPRKZYFVVSEQ-HTQZYQBOSA-N	-1	1	319.325	-1.014	20	0		DAADMM
O=C(NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1)c1ncccc1[O-]	ZINC000990971693	662787991	/nfs/dbraw/zinc/78/79/91/662787991.db2.gz	IOJROINXOFMSKL-QMMMGPOBSA-N	-1	1	305.294	-1.591	20	0		DAADMM
CC(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@@H]1O	ZINC000991156529	662803492	/nfs/dbraw/zinc/80/34/92/662803492.db2.gz	OQVRTWQEGWHDNQ-WPRPVWTQSA-N	-1	1	320.309	-1.871	20	0		DAADMM
CC(=O)N[C@@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1O	ZINC000991156526	662803545	/nfs/dbraw/zinc/80/35/45/662803545.db2.gz	OQVRTWQEGWHDNQ-PSASIEDQSA-N	-1	1	320.309	-1.871	20	0		DAADMM
COCCNC(=O)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC	ZINC000912544888	663154062	/nfs/dbraw/zinc/15/40/62/663154062.db2.gz	RVQMOLWRQKMPQC-UHFFFAOYSA-N	-1	1	320.327	-1.763	20	0		DAADMM
Cc1cc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)n(C)n1	ZINC001030133932	663165727	/nfs/dbraw/zinc/16/57/27/663165727.db2.gz	YKBATOUKQAMAAM-UHFFFAOYSA-N	-1	1	305.342	-1.235	20	0		DAADMM
COC(=O)[C@H]1C[C@H]1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001030154133	663166950	/nfs/dbraw/zinc/16/69/50/663166950.db2.gz	FYGLAZIYQYAKHD-BDAKNGLRSA-N	-1	1	309.326	-1.782	20	0		DAADMM
Cc1nn(C)cc1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001030163195	663167714	/nfs/dbraw/zinc/16/77/14/663167714.db2.gz	VKVPHXOMZMEQES-UHFFFAOYSA-N	-1	1	305.342	-1.235	20	0		DAADMM
O=C(NC1CN(CCN2C(=O)CNC2=O)C1)c1ncccc1[O-]	ZINC001030241258	663173156	/nfs/dbraw/zinc/17/31/56/663173156.db2.gz	BLEQUOIRJHKDIQ-UHFFFAOYSA-N	-1	1	319.321	-1.247	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)Cc3cncnc3)C2)nc1=O	ZINC001030260356	663173718	/nfs/dbraw/zinc/17/37/18/663173718.db2.gz	VPPSWZJTCPJHNJ-UHFFFAOYSA-N	-1	1	303.326	-1.559	20	0		DAADMM
CN1C[C@@H](C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)CC1=O	ZINC001030394740	663184718	/nfs/dbraw/zinc/18/47/18/663184718.db2.gz	KRUKLESFARZGHQ-QMMMGPOBSA-N	-1	1	308.342	-2.113	20	0		DAADMM
NC(=O)C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC000991717635	663185683	/nfs/dbraw/zinc/18/56/83/663185683.db2.gz	AKEIIUMOWPLNKG-APPZFPTMSA-N	-1	1	308.294	-2.036	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3cc4n(n3)CCC4)C2)nc1=O	ZINC001030408836	663189588	/nfs/dbraw/zinc/18/95/88/663189588.db2.gz	OPYLTNXGQKNBNC-UHFFFAOYSA-N	-1	1	317.353	-1.135	20	0		DAADMM
CCn1nnc(C)c1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001030431194	663193126	/nfs/dbraw/zinc/19/31/26/663193126.db2.gz	AXDLHISITWBHSP-UHFFFAOYSA-N	-1	1	320.357	-1.358	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)C[C@@H]3CCNC3=O)C2)nc1=O	ZINC001030433516	663193681	/nfs/dbraw/zinc/19/36/81/663193681.db2.gz	DQEDEANRMMQPQS-QMMMGPOBSA-N	-1	1	308.342	-2.065	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3cc4n(n3)CCO4)C2)nc1=O	ZINC001030450237	663195441	/nfs/dbraw/zinc/19/54/41/663195441.db2.gz	JXCCGGCEUYWQJM-UHFFFAOYSA-N	-1	1	319.325	-1.689	20	0		DAADMM
CN1CC[C@@H](CC(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)C1=O	ZINC001030493139	663198011	/nfs/dbraw/zinc/19/80/11/663198011.db2.gz	JNKLJNBZJNWJLT-VIFPVBQESA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN1CC[C@H](CC(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)C1=O	ZINC001030493138	663198277	/nfs/dbraw/zinc/19/82/77/663198277.db2.gz	JNKLJNBZJNWJLT-SECBINFHSA-N	-1	1	322.369	-1.723	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3cnc[nH]c3=O)C2)nc1=O	ZINC001030498938	663198693	/nfs/dbraw/zinc/19/86/93/663198693.db2.gz	KXPXRBHZDVIRPN-UHFFFAOYSA-N	-1	1	305.298	-1.782	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@@]3(C)CCNC(=O)C3)C2)nc1=O	ZINC001030518716	663199405	/nfs/dbraw/zinc/19/94/05/663199405.db2.gz	IBJOKBKCQVIIHG-AWEZNQCLSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[nH]c(CN2CC(NC(=O)[C@H]3CCCC[N@H+]3C)C2)nc1=O	ZINC001030535799	663200136	/nfs/dbraw/zinc/20/01/36/663200136.db2.gz	UWELMDCHJNGITO-LLVKDONJSA-N	-1	1	308.386	-1.107	20	0		DAADMM
C[C@@H]1C[C@H](C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)CC(=O)N1	ZINC001030587445	663201967	/nfs/dbraw/zinc/20/19/67/663201967.db2.gz	HNZUNMRUPXHONE-BDAKNGLRSA-N	-1	1	322.369	-1.677	20	0		DAADMM
C[C@H]1C[C@H](C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)CC(=O)N1	ZINC001030587447	663202204	/nfs/dbraw/zinc/20/22/04/663202204.db2.gz	HNZUNMRUPXHONE-IUCAKERBSA-N	-1	1	322.369	-1.677	20	0		DAADMM
Cc1nnccc1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001030616242	663207271	/nfs/dbraw/zinc/20/72/71/663207271.db2.gz	MUJZBWCMPRTORW-UHFFFAOYSA-N	-1	1	303.326	-1.179	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)C[C@H]3CCCC(=O)N3)C2)nc1=O	ZINC001030648656	663208961	/nfs/dbraw/zinc/20/89/61/663208961.db2.gz	XKNJMAIVHMZMDR-SECBINFHSA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@]3(C)CNC(=O)C3)C2)nc1=O	ZINC001030726820	663217658	/nfs/dbraw/zinc/21/76/58/663217658.db2.gz	KDRFOSQTQGVJSE-ZDUSSCGKSA-N	-1	1	308.342	-2.065	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@]3(NC(=O)C(N)=O)CCC[C@@H]23)nc1=O	ZINC000992152966	663224181	/nfs/dbraw/zinc/22/41/81/663224181.db2.gz	FORZDBRITWOCMD-OQPBUACISA-N	-1	1	308.342	-1.793	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3ccc(C(N)=O)[nH]3)C2)nc1=O	ZINC001030970298	663239564	/nfs/dbraw/zinc/23/95/64/663239564.db2.gz	LHKZPYPNAWBFDV-UHFFFAOYSA-N	-1	1	319.325	-1.850	20	0		DAADMM
COCc1cc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)no1	ZINC001031062946	663245807	/nfs/dbraw/zinc/24/58/07/663245807.db2.gz	IJFLKGXGCCARQE-UHFFFAOYSA-N	-1	1	322.325	-1.143	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CN3CC(=O)NC3=O)C2)nc1=O	ZINC001031115698	663249074	/nfs/dbraw/zinc/24/90/74/663249074.db2.gz	MNTSCIOSCHIKIC-UHFFFAOYSA-N	-1	1	323.313	-3.039	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3cc(C(N)=O)c[nH]3)C2)nc1=O	ZINC001031153003	663252063	/nfs/dbraw/zinc/25/20/63/663252063.db2.gz	AOGQWUMOGFTIHG-UHFFFAOYSA-N	-1	1	319.325	-1.850	20	0		DAADMM
O=C(NCc1nn[n-]n1)C1=CC=CN2CCS(=O)(=O)N=C12	ZINC000731887047	663256218	/nfs/dbraw/zinc/25/62/18/663256218.db2.gz	HFLVCPZKCVBIOM-UHFFFAOYSA-N	-1	1	309.311	-1.687	20	0		DAADMM
CO[C@@H](C)CN1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001031251037	663262228	/nfs/dbraw/zinc/26/22/28/663262228.db2.gz	AVLHNYXPIKNWMO-QMMMGPOBSA-N	-1	1	306.326	-1.134	20	0		DAADMM
CC(=O)N1CCC[C@H]1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031282302	663264690	/nfs/dbraw/zinc/26/46/90/663264690.db2.gz	BDGYOELINWCKDH-NSHDSACASA-N	-1	1	322.369	-1.580	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(CC[C@@H]2CCOC2)C1	ZINC001031314785	663279726	/nfs/dbraw/zinc/27/97/26/663279726.db2.gz	KINSYFCCEHEEED-SECBINFHSA-N	-1	1	311.342	-1.084	20	0		DAADMM
Cc1nc([C@H](C)N2CC(NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n[nH]1	ZINC001031314744	663279883	/nfs/dbraw/zinc/27/98/83/663279883.db2.gz	ILAOFPZDTOEVKJ-LURJTMIESA-N	-1	1	322.329	-1.323	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C[C@H]2CCCOC2)C1	ZINC001031315068	663280249	/nfs/dbraw/zinc/28/02/49/663280249.db2.gz	SOJGGGBEEOFXRE-SECBINFHSA-N	-1	1	311.342	-1.084	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C[C@@H]2C[C@@]23CCOC3)C1	ZINC001031314756	663280264	/nfs/dbraw/zinc/28/02/64/663280264.db2.gz	IUHMSSWJNJHWLW-LKFCYVNXSA-N	-1	1	323.353	-1.084	20	0		DAADMM
NC(=O)NC[C@H]1CCCCN1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000733145197	663280947	/nfs/dbraw/zinc/28/09/47/663280947.db2.gz	TWVNBXOYDGGLMC-SNVBAGLBSA-N	-1	1	323.353	-1.024	20	0		DAADMM
C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cnc[nH]c3=O)C2)C1	ZINC000994430212	663284633	/nfs/dbraw/zinc/28/46/33/663284633.db2.gz	VTUCAIPDFGYFQW-LLVKDONJSA-N	-1	1	321.337	-1.547	20	0		DAADMM
CS(C)(=O)=NS(=O)(=O)[N-]C[C@H]1CN2CCN1CCC2	ZINC000917062459	663286481	/nfs/dbraw/zinc/28/64/81/663286481.db2.gz	WMEDGQFMHADSFV-JTQLQIEISA-N	-1	1	310.445	-1.062	20	0		DAADMM
C[C@@H](C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1)N1CCOCC1	ZINC001031494242	663295835	/nfs/dbraw/zinc/29/58/35/663295835.db2.gz	QAUHPJXWGZCSDR-JTQLQIEISA-N	-1	1	324.385	-1.871	20	0		DAADMM
COC(=O)[C@@H]1C[C@H]1C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031578211	663300194	/nfs/dbraw/zinc/30/01/94/663300194.db2.gz	HPNQJPDBIZZUPT-NXEZZACHSA-N	-1	1	323.353	-1.535	20	0		DAADMM
COC(=O)[C@H]1C[C@@H]1C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031578212	663300361	/nfs/dbraw/zinc/30/03/61/663300361.db2.gz	HPNQJPDBIZZUPT-UWVGGRQHSA-N	-1	1	323.353	-1.535	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)c3cc(=O)n(C)o3)C2)nc1=O	ZINC001031637199	663304604	/nfs/dbraw/zinc/30/46/04/663304604.db2.gz	VIDYGMBGCHFVDA-UHFFFAOYSA-N	-1	1	322.325	-1.738	20	0		DAADMM
Cn1nncc1C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031643238	663304640	/nfs/dbraw/zinc/30/46/40/663304640.db2.gz	NKJIMZGJFMNHCM-UHFFFAOYSA-N	-1	1	306.330	-1.901	20	0		DAADMM
CCn1ncc(C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001031654569	663305222	/nfs/dbraw/zinc/30/52/22/663305222.db2.gz	ZBUHHQOEUZZKEG-UHFFFAOYSA-N	-1	1	320.357	-1.418	20	0		DAADMM
CCn1nncc1C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031655001	663305468	/nfs/dbraw/zinc/30/54/68/663305468.db2.gz	RDANREKVCNNTQU-UHFFFAOYSA-N	-1	1	320.357	-1.418	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(C(=O)c2ccn[nH]2)C1	ZINC000938389777	663315829	/nfs/dbraw/zinc/31/58/29/663315829.db2.gz	YBMMSMOORJSYFQ-ZETCQYMHSA-N	-1	1	321.297	-1.557	20	0		DAADMM
C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC000939499380	663356398	/nfs/dbraw/zinc/35/63/98/663356398.db2.gz	NJBGMIQJVVOTFP-HTQZYQBOSA-N	-1	1	306.330	-1.192	20	0		DAADMM
CN1CC[C@@H](C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)C1=O	ZINC001031910846	663380595	/nfs/dbraw/zinc/38/05/95/663380595.db2.gz	RVRWEFJQHWMYSV-JTQLQIEISA-N	-1	1	322.369	-1.865	20	0		DAADMM
CO[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1NC(C)=O	ZINC000940905072	663380997	/nfs/dbraw/zinc/38/09/97/663380997.db2.gz	ILBOSELPNDOABT-NXEZZACHSA-N	-1	1	320.309	-1.607	20	0		DAADMM
CN1C[C@H](C(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)NC1=O	ZINC001038596214	663386034	/nfs/dbraw/zinc/38/60/34/663386034.db2.gz	JBVOTLBJKKMPLO-RKDXNWHRSA-N	-1	1	323.357	-2.178	20	0		DAADMM
CN1C[C@H](C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)NC1=O	ZINC001038596207	663386057	/nfs/dbraw/zinc/38/60/57/663386057.db2.gz	JBVOTLBJKKMPLO-DTWKUNHWSA-N	-1	1	323.357	-2.178	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)c3n[nH]cc3F)C2)nc1=O	ZINC001031954913	663395786	/nfs/dbraw/zinc/39/57/86/663395786.db2.gz	JXULLAMJTKOOIQ-UHFFFAOYSA-N	-1	1	309.305	-1.168	20	0		DAADMM
CCN1CC(N2CCN(C(=O)c3cnc([O-])n(C)c3=O)CC2)C1	ZINC000941513516	663396996	/nfs/dbraw/zinc/39/69/96/663396996.db2.gz	GXPCVXKJGINZBL-UHFFFAOYSA-N	-1	1	321.381	-1.052	20	0		DAADMM
NC(=O)C(=O)N1CC[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000941664606	663402111	/nfs/dbraw/zinc/40/21/11/663402111.db2.gz	XQZWRQRRNIQLAE-ZCFIWIBFSA-N	-1	1	319.281	-2.766	20	0		DAADMM
COCC(=O)N1CC[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000941663747	663402140	/nfs/dbraw/zinc/40/21/40/663402140.db2.gz	BKPLECZJAMRHAS-MRVPVSSYSA-N	-1	1	320.309	-1.605	20	0		DAADMM
O=C(N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ncn[nH]1	ZINC000942161199	663414504	/nfs/dbraw/zinc/41/45/04/663414504.db2.gz	GVRIJKBOBAGRSU-RXMQYKEDSA-N	-1	1	320.269	-1.955	20	0		DAADMM
O=C(N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1nc[nH]n1	ZINC000942161199	663414507	/nfs/dbraw/zinc/41/45/07/663414507.db2.gz	GVRIJKBOBAGRSU-RXMQYKEDSA-N	-1	1	320.269	-1.955	20	0		DAADMM
CNC(=O)CN1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1	ZINC000942305214	663420174	/nfs/dbraw/zinc/42/01/74/663420174.db2.gz	SPLFVXFZWIRCBB-JGVFFNPUSA-N	-1	1	324.341	-1.531	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)nc1=O	ZINC001032138419	663442331	/nfs/dbraw/zinc/44/23/31/663442331.db2.gz	YECDIUDAYLZIGN-VIFPVBQESA-N	-1	1	308.342	-2.065	20	0		DAADMM
NC(=O)CC(=O)N1CCO[C@H](CNC(=O)c2ncccc2[O-])C1	ZINC000944560012	663459038	/nfs/dbraw/zinc/45/90/38/663459038.db2.gz	GOAMNIGCSSTPMY-SECBINFHSA-N	-1	1	322.321	-1.380	20	0		DAADMM
NC(=O)CC(=O)N1CCO[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC000944560013	663459128	/nfs/dbraw/zinc/45/91/28/663459128.db2.gz	GOAMNIGCSSTPMY-VIFPVBQESA-N	-1	1	322.321	-1.380	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cnccn2)nc1=O	ZINC001032258545	663473953	/nfs/dbraw/zinc/47/39/53/663473953.db2.gz	ZJDZZUBGFZZGBY-UWVGGRQHSA-N	-1	1	315.337	-1.003	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)Cn2cnnn2)nc1=O	ZINC001032271663	663477469	/nfs/dbraw/zinc/47/74/69/663477469.db2.gz	SQVNGFLCTKZBNA-IUCAKERBSA-N	-1	1	319.329	-2.420	20	0		DAADMM
Cn1nnc(C(=O)N2C[C@H](NCc3n[nH]c(=O)[n-]3)C(C)(C)C2)n1	ZINC000996147783	663483586	/nfs/dbraw/zinc/48/35/86/663483586.db2.gz	CIZKUBNKPATEIN-ZETCQYMHSA-N	-1	1	321.345	-1.326	20	0		DAADMM
Cn1nnc(C(=O)N2C[C@@H](NCc3n[nH]c(=O)[n-]3)C(C)(C)C2)n1	ZINC000996147780	663483689	/nfs/dbraw/zinc/48/36/89/663483689.db2.gz	CIZKUBNKPATEIN-SSDOTTSWSA-N	-1	1	321.345	-1.326	20	0		DAADMM
CC1(C)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC000996312027	663485828	/nfs/dbraw/zinc/48/58/28/663485828.db2.gz	UVTMOOUYKQEDGU-VGMNWLOBSA-N	-1	1	322.369	-1.042	20	0		DAADMM
Cn1nccc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[n-]1	ZINC001032309513	663489883	/nfs/dbraw/zinc/48/98/83/663489883.db2.gz	MHNYIRYUPAVKEO-UWVGGRQHSA-N	-1	1	317.353	-1.059	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC(=O)N2)nc1=O	ZINC001032316907	663490216	/nfs/dbraw/zinc/49/02/16/663490216.db2.gz	JQSZWADKROFVMY-LPEHRKFASA-N	-1	1	320.353	-1.828	20	0		DAADMM
Cc1nn[nH]c1C(=O)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000996743099	663491696	/nfs/dbraw/zinc/49/16/96/663491696.db2.gz	FWACNFXOYHSTBZ-UHFFFAOYSA-N	-1	1	320.269	-2.036	20	0		DAADMM
O=C(Cc1ccn[nH]1)N1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000996745372	663492154	/nfs/dbraw/zinc/49/21/54/663492154.db2.gz	NUEKGIGXSSOQSQ-UHFFFAOYSA-N	-1	1	319.281	-1.811	20	0		DAADMM
CCO[N-]C(=O)CNS(=O)(=O)CCCN1CCN(C)CC1	ZINC000867463968	663497276	/nfs/dbraw/zinc/49/72/76/663497276.db2.gz	VENJATXCJAZKBF-UHFFFAOYSA-N	-1	1	322.431	-1.389	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ncc[nH]2)nc1=O	ZINC001032394044	663504831	/nfs/dbraw/zinc/50/48/31/663504831.db2.gz	YGQAXOYUSXTEII-IUCAKERBSA-N	-1	1	303.326	-1.070	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)Cc2ncn[nH]2)C1	ZINC000997258277	663508779	/nfs/dbraw/zinc/50/87/79/663508779.db2.gz	MOYAMAKEAPKERK-UHFFFAOYSA-N	-1	1	322.285	-2.623	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(C(=O)Cc2ccn[nH]2)C1	ZINC000997268326	663509291	/nfs/dbraw/zinc/50/92/91/663509291.db2.gz	ZDEVDLQQAJYFJX-UHFFFAOYSA-N	-1	1	321.297	-2.018	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCN(CC(N)=O)C1	ZINC001015989572	663510043	/nfs/dbraw/zinc/51/00/43/663510043.db2.gz	SNCDDOAJQVSZDC-ZCFIWIBFSA-N	-1	1	311.298	-1.814	20	0		DAADMM
O=C(Cn1cnnn1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000998487965	663543122	/nfs/dbraw/zinc/54/31/22/663543122.db2.gz	GDPXLMYWQRLNBS-MRVPVSSYSA-N	-1	1	307.318	-1.722	20	0		DAADMM
O=C(Cn1cnnn1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000998487966	663543260	/nfs/dbraw/zinc/54/32/60/663543260.db2.gz	GDPXLMYWQRLNBS-QMMMGPOBSA-N	-1	1	307.318	-1.722	20	0		DAADMM
O=C(NC1CN(C(=O)c2ncccc2[O-])C1)[C@@H]1CNC(=O)N1	ZINC000998673215	663546128	/nfs/dbraw/zinc/54/61/28/663546128.db2.gz	IHZAKTLEULGODS-QMMMGPOBSA-N	-1	1	305.294	-1.591	20	0		DAADMM
CS(=O)(=O)CC(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000998683443	663548983	/nfs/dbraw/zinc/54/89/83/663548983.db2.gz	HFGWQPOICAWXFB-QMMMGPOBSA-N	-1	1	317.371	-1.365	20	0		DAADMM
CS(=O)(=O)CC(=O)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000998683441	663549038	/nfs/dbraw/zinc/54/90/38/663549038.db2.gz	HFGWQPOICAWXFB-MRVPVSSYSA-N	-1	1	317.371	-1.365	20	0		DAADMM
CN1CCO[C@@H](C(=O)N2CCC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)C1	ZINC000998825915	663552845	/nfs/dbraw/zinc/55/28/45/663552845.db2.gz	NQLRKHZKSHDUKE-GHMZBOCLSA-N	-1	1	324.385	-1.079	20	0		DAADMM
CN1CCOC[C@@H]1C(=O)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000998967220	663554019	/nfs/dbraw/zinc/55/40/19/663554019.db2.gz	YMYKUMBAPINBIZ-GHMZBOCLSA-N	-1	1	324.385	-1.079	20	0		DAADMM
CN1CCOC[C@H]1C(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000998967222	663554123	/nfs/dbraw/zinc/55/41/23/663554123.db2.gz	YMYKUMBAPINBIZ-QWRGUYRKSA-N	-1	1	324.385	-1.079	20	0		DAADMM
O=C(CN1CCOCC1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000998956195	663554267	/nfs/dbraw/zinc/55/42/67/663554267.db2.gz	ULTWLZVHIHEJTE-NSHDSACASA-N	-1	1	324.385	-1.077	20	0		DAADMM
O=C(Cn1ncnn1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000999167056	663556787	/nfs/dbraw/zinc/55/67/87/663556787.db2.gz	YPACGYWQYYIGCO-QMMMGPOBSA-N	-1	1	307.318	-1.722	20	0		DAADMM
Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nc(=O)n(C)[n-]2)n1	ZINC001032682328	663558143	/nfs/dbraw/zinc/55/81/43/663558143.db2.gz	FWUFXWKXYDGAKD-IUCAKERBSA-N	-1	1	318.341	-1.664	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)Cc2ncc[nH]2)nc1=O	ZINC001032701801	663558985	/nfs/dbraw/zinc/55/89/85/663558985.db2.gz	IAYUNFGGFBTPLV-UWVGGRQHSA-N	-1	1	317.353	-1.141	20	0		DAADMM
Cn1nnc(C(=O)N2CCC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)n1	ZINC000999918387	663569970	/nfs/dbraw/zinc/56/99/70/663569970.db2.gz	BMSOQNUZVHAAMW-SSDOTTSWSA-N	-1	1	307.318	-1.572	20	0		DAADMM
CC(=O)NCc1cn([C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC000999937760	663570875	/nfs/dbraw/zinc/57/08/75/663570875.db2.gz	JUEUXIATQXBSFP-LLVKDONJSA-N	-1	1	320.357	-1.217	20	0		DAADMM
O=C(Cc1nnc[nH]1)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001000187871	663580432	/nfs/dbraw/zinc/58/04/32/663580432.db2.gz	LZVWSXUXHKLOHK-UHFFFAOYSA-N	-1	1	320.269	-2.416	20	0		DAADMM
O=C(Cc1cnc[nH]1)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001000560813	663588597	/nfs/dbraw/zinc/58/85/97/663588597.db2.gz	BTTKCQIZNFMWBM-UHFFFAOYSA-N	-1	1	319.281	-1.811	20	0		DAADMM
O=C(Cc1nnc[nH]1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001000645390	663590678	/nfs/dbraw/zinc/59/06/78/663590678.db2.gz	QYFYZTCPAOHOHR-MRVPVSSYSA-N	-1	1	306.330	-1.048	20	0		DAADMM
O=C(Cc1nnc[nH]1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001000645392	663590827	/nfs/dbraw/zinc/59/08/27/663590827.db2.gz	QYFYZTCPAOHOHR-QMMMGPOBSA-N	-1	1	306.330	-1.048	20	0		DAADMM
NC(=O)CN1CCC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001001589725	663603798	/nfs/dbraw/zinc/60/37/98/663603798.db2.gz	VXCZAYDEQZFHHH-UHFFFAOYSA-N	-1	1	310.314	-1.790	20	0		DAADMM
Cn1[n-]c(CN2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)nc1=O	ZINC001002461669	663615373	/nfs/dbraw/zinc/61/53/73/663615373.db2.gz	JPWPSQSYDCKRQO-SNVBAGLBSA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cn1[n-]c(CN2CCC(NC(=O)[C@@H]3COC(=O)N3)CC2)nc1=O	ZINC001002721003	663617660	/nfs/dbraw/zinc/61/76/60/663617660.db2.gz	CQYYYFKHXWDXRK-VIFPVBQESA-N	-1	1	324.341	-1.703	20	0		DAADMM
Cn1[n-]c(CN2CCC(NC(=O)[C@H]3COC(=O)N3)CC2)nc1=O	ZINC001002721002	663617953	/nfs/dbraw/zinc/61/79/53/663617953.db2.gz	CQYYYFKHXWDXRK-SECBINFHSA-N	-1	1	324.341	-1.703	20	0		DAADMM
Cn1[n-]c(CN2CCC(NC(=O)Cn3ncnn3)CC2)nc1=O	ZINC001002821427	663619389	/nfs/dbraw/zinc/61/93/89/663619389.db2.gz	AGGKCFQCIIFBBZ-UHFFFAOYSA-N	-1	1	321.345	-2.124	20	0		DAADMM
O=C(NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1cnn[nH]1	ZINC001003111836	663623933	/nfs/dbraw/zinc/62/39/33/663623933.db2.gz	RGAMXTIZJOPIDV-UHFFFAOYSA-N	-1	1	320.269	-2.097	20	0		DAADMM
COCC(=O)N1CC(CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001003320793	663627399	/nfs/dbraw/zinc/62/73/99/663627399.db2.gz	ZGUKHAXNESZSFU-UHFFFAOYSA-N	-1	1	320.309	-1.748	20	0		DAADMM
Cn1[n-]c(CN2CCC(NC(=O)[C@@H]3CCNC3=O)CC2)nc1=O	ZINC001003427358	663628714	/nfs/dbraw/zinc/62/87/14/663628714.db2.gz	LADUHGLOBLPWDN-SNVBAGLBSA-N	-1	1	322.369	-1.675	20	0		DAADMM
NC(=O)C(=O)NC1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1	ZINC001003539070	663630892	/nfs/dbraw/zinc/63/08/92/663630892.db2.gz	FFPVUNXRCLXKKO-UHFFFAOYSA-N	-1	1	318.337	-1.412	20	0		DAADMM
Cn1[n-]c(CN2CCC(NC(=O)c3cnon3)CC2)nc1=O	ZINC001003818979	663639829	/nfs/dbraw/zinc/63/98/29/663639829.db2.gz	DFZFEYHSVRXDQQ-UHFFFAOYSA-N	-1	1	307.314	-1.114	20	0		DAADMM
CN(C(=O)[C@H]1CCC(=O)N1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001032965865	663642047	/nfs/dbraw/zinc/64/20/47/663642047.db2.gz	ZCRLNHCOXHBZMO-VHSXEESVSA-N	-1	1	322.369	-1.580	20	0		DAADMM
CN(C(=O)c1cnnn1C)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033056397	663646870	/nfs/dbraw/zinc/64/68/70/663646870.db2.gz	DYVOUFMMUHAVDD-VIFPVBQESA-N	-1	1	320.357	-1.417	20	0		DAADMM
CN(C(=O)c1cn(C)nn1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033054494	663647268	/nfs/dbraw/zinc/64/72/68/663647268.db2.gz	LRIFMWIVTVHGHJ-VIFPVBQESA-N	-1	1	320.357	-1.417	20	0		DAADMM
CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1	ZINC000625642454	663657559	/nfs/dbraw/zinc/65/75/59/663657559.db2.gz	VVHMWSVBMWPFAN-ZKCHVHJHSA-N	-1	1	303.340	-1.460	20	0		DAADMM
CN(C(=O)c1nc[nH]n1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033515061	663662179	/nfs/dbraw/zinc/66/21/79/663662179.db2.gz	DDGOGVWJDBZCIO-MRVPVSSYSA-N	-1	1	306.330	-1.427	20	0		DAADMM
CN(C(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033597640	663664109	/nfs/dbraw/zinc/66/41/09/663664109.db2.gz	ZCRLNHCOXHBZMO-ZJUUUORDSA-N	-1	1	322.369	-1.580	20	0		DAADMM
CN(C(=O)Cn1cncn1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033640112	663665103	/nfs/dbraw/zinc/66/51/03/663665103.db2.gz	MCXSKHMTJKAARL-SNVBAGLBSA-N	-1	1	320.357	-1.567	20	0		DAADMM
CN1CCO[C@H](C(=O)N2CCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)C1	ZINC001034890761	663675013	/nfs/dbraw/zinc/67/50/13/663675013.db2.gz	HRPASDCBIQDENS-MNOVXSKESA-N	-1	1	324.385	-1.079	20	0		DAADMM
CS(=O)(=O)CC(=O)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001034872507	663675310	/nfs/dbraw/zinc/67/53/10/663675310.db2.gz	QMOMQVCJKXQPOB-MRVPVSSYSA-N	-1	1	317.371	-1.365	20	0		DAADMM
O=C([C@H]1CCC(=O)N1)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001034882579	663675317	/nfs/dbraw/zinc/67/53/17/663675317.db2.gz	BQFQRVIPLALGFV-RKDXNWHRSA-N	-1	1	308.342	-1.131	20	0		DAADMM
O=C([C@H]1CCNC1=O)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001035011745	663676539	/nfs/dbraw/zinc/67/65/39/663676539.db2.gz	IPMIVPPTPQNTHA-BDAKNGLRSA-N	-1	1	308.342	-1.273	20	0		DAADMM
O=C([C@H]1CNC(=O)N1)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001035030063	663676625	/nfs/dbraw/zinc/67/66/25/663676625.db2.gz	BINRFHQBZYWQHR-HTQZYQBOSA-N	-1	1	309.330	-1.728	20	0		DAADMM
O=C([C@@H]1CCC(=O)N1)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001035106329	663677464	/nfs/dbraw/zinc/67/74/64/663677464.db2.gz	BQFQRVIPLALGFV-BDAKNGLRSA-N	-1	1	308.342	-1.131	20	0		DAADMM
NC(=O)C(=O)N1CCC2(CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1	ZINC001035220526	663677470	/nfs/dbraw/zinc/67/74/70/663677470.db2.gz	IUZUGDPEQTZMBR-UHFFFAOYSA-N	-1	1	308.342	-1.190	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@@H](CNC(=O)c3ccon3)C2)nc1=O	ZINC001035307600	663678517	/nfs/dbraw/zinc/67/85/17/663678517.db2.gz	WQILLFZWULPSCW-VIFPVBQESA-N	-1	1	322.325	-1.273	20	0		DAADMM
CN1CCC[C@@H]1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001035314262	663679044	/nfs/dbraw/zinc/67/90/44/663679044.db2.gz	VNPKQYDKUXPLBW-GHMZBOCLSA-N	-1	1	324.385	-1.079	20	0		DAADMM
Cn1[n-]c(CN2CCO[C@@H](CNC(=O)c3ncc[nH]3)C2)nc1=O	ZINC001035363567	663681045	/nfs/dbraw/zinc/68/10/45/663681045.db2.gz	KBRLDFRMRPXZHG-VIFPVBQESA-N	-1	1	321.341	-1.538	20	0		DAADMM
Cn1[n-]c(CN2CC3(C2)CCN(C(=O)CC(N)=O)CC3)nc1=O	ZINC001035674929	663689647	/nfs/dbraw/zinc/68/96/47/663689647.db2.gz	BZQVPPBSNKGBGU-UHFFFAOYSA-N	-1	1	322.369	-1.592	20	0		DAADMM
Cn1ncc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1	ZINC000805102448	663806019	/nfs/dbraw/zinc/80/60/19/663806019.db2.gz	KLCCCXQKERXJLU-UHFFFAOYSA-N	-1	1	314.327	-2.309	20	0		DAADMM
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H](CO)C(=O)OC	ZINC000758500999	663807680	/nfs/dbraw/zinc/80/76/80/663807680.db2.gz	ABAVOTXADLYMQR-ZCFIWIBFSA-N	-1	1	321.311	-1.683	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCN2C(=O)OC[C@@H]2C1	ZINC000763867382	663811703	/nfs/dbraw/zinc/81/17/03/663811703.db2.gz	ARIHXMOWGOACBP-VIFPVBQESA-N	-1	1	308.294	-1.410	20	0		DAADMM
C[C@H](O)C[C@@H]1COCCN1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000766545295	663813724	/nfs/dbraw/zinc/81/37/24/663813724.db2.gz	XFKOPHOWLMLLEL-WDEREUQCSA-N	-1	1	311.338	-1.075	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCN([C@H]2CCOC2)CC1	ZINC000771029846	663817518	/nfs/dbraw/zinc/81/75/18/663817518.db2.gz	BUYQHLGIFXGXKK-LBPRGKRZSA-N	-1	1	322.365	-1.140	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@H](OCCO)C1	ZINC000771784945	663817970	/nfs/dbraw/zinc/81/79/70/663817970.db2.gz	SBBFLFKNDPILLL-NSHDSACASA-N	-1	1	311.338	-1.073	20	0		DAADMM
CN(CC(=O)N1CCSC[C@@H]1c1nn[n-]n1)S(C)(=O)=O	ZINC000773147604	663819558	/nfs/dbraw/zinc/81/95/58/663819558.db2.gz	CJXSCGRBAGRUGI-SSDOTTSWSA-N	-1	1	320.400	-1.292	20	0		DAADMM
CN(C)c1nc(C(=O)OCCN2C(=O)CNC2=O)cc(=O)[n-]1	ZINC000786492858	663829628	/nfs/dbraw/zinc/82/96/28/663829628.db2.gz	IFJFGZVAKMORNF-UHFFFAOYSA-N	-1	1	309.282	-1.043	20	0		DAADMM
COC(=O)CN1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC000789909677	663832912	/nfs/dbraw/zinc/83/29/12/663832912.db2.gz	XZRAGASFFJFVLD-UHFFFAOYSA-N	-1	1	324.337	-1.756	20	0		DAADMM
C[C@@H](O)C[N@H+]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@H](C)C1	ZINC000793875650	663835587	/nfs/dbraw/zinc/83/55/87/663835587.db2.gz	UALBBLRAJSAABK-VXGBXAGGSA-N	-1	1	324.381	-1.160	20	0		DAADMM
COC(=O)c1ccc(C(=O)OCC(=O)N2CCNC(=O)C2)[n-]1	ZINC000796368962	663838123	/nfs/dbraw/zinc/83/81/23/663838123.db2.gz	JVVRLTCUUOGYOF-UHFFFAOYSA-N	-1	1	309.278	-1.084	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]C1CCN(CC(N)=O)CC1	ZINC000809806580	663848240	/nfs/dbraw/zinc/84/82/40/663848240.db2.gz	DSJLLDQOJLNXEG-UHFFFAOYSA-N	-1	1	317.371	-1.207	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@]2(C)CCOC2=O)c(=O)n(C)c1=O	ZINC000810104859	663848660	/nfs/dbraw/zinc/84/86/60/663848660.db2.gz	TXODODHLJFGXME-LLVKDONJSA-N	-1	1	317.323	-1.932	20	0		DAADMM
CCOC(=O)[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000825492088	663864630	/nfs/dbraw/zinc/86/46/30/663864630.db2.gz	CZGCCMHZRGYYTR-VIFPVBQESA-N	-1	1	306.282	-1.085	20	0		DAADMM
CCOC(=O)[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000825492088	663864633	/nfs/dbraw/zinc/86/46/33/663864633.db2.gz	CZGCCMHZRGYYTR-VIFPVBQESA-N	-1	1	306.282	-1.085	20	0		DAADMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCS(N)(=O)=O)n1	ZINC000826356786	663866204	/nfs/dbraw/zinc/86/62/04/663866204.db2.gz	FVJZFDBPCBZBJZ-UHFFFAOYSA-N	-1	1	315.319	-1.990	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCS(N)(=O)=O)n1	ZINC000826356786	663866205	/nfs/dbraw/zinc/86/62/05/663866205.db2.gz	FVJZFDBPCBZBJZ-UHFFFAOYSA-N	-1	1	315.319	-1.990	20	0		DAADMM
NC(=O)C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCC1	ZINC000826390194	663866259	/nfs/dbraw/zinc/86/62/59/663866259.db2.gz	SMDILMBTAVIGLJ-UHFFFAOYSA-N	-1	1	323.338	-1.052	20	0		DAADMM
NC(=O)C1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCC1	ZINC000826390194	663866262	/nfs/dbraw/zinc/86/62/62/663866262.db2.gz	SMDILMBTAVIGLJ-UHFFFAOYSA-N	-1	1	323.338	-1.052	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2CC(CCO)C2)n(C)c1=O	ZINC000826355469	663866313	/nfs/dbraw/zinc/86/63/13/663866313.db2.gz	BABWWYNLMRZFII-UHFFFAOYSA-N	-1	1	307.314	-1.917	20	0		DAADMM
C[C@@H](CC(=O)[O-])N1CCN(C(=O)CN2CC(=O)NC2=O)CC1	ZINC000827361908	663867933	/nfs/dbraw/zinc/86/79/33/663867933.db2.gz	HDRMLEKOMIINFP-VIFPVBQESA-N	-1	1	312.326	-1.454	20	0		DAADMM
CO[C@@H]1COC[C@H]1NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC000832812008	663874137	/nfs/dbraw/zinc/87/41/37/663874137.db2.gz	RFNJOGLFZGWYOX-GHMZBOCLSA-N	-1	1	319.321	-1.190	20	0		DAADMM
CS(=O)(=O)CCS(=O)(=O)[N-][C@@H]1CNCCC1(F)F	ZINC000842893640	663877969	/nfs/dbraw/zinc/87/79/69/663877969.db2.gz	KYYNWDAWUAGUIC-SSDOTTSWSA-N	-1	1	306.356	-1.052	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)N1CCN(C)C[C@H](C(=O)OC)C1	ZINC000845536039	663883886	/nfs/dbraw/zinc/88/38/86/663883886.db2.gz	ZZYHMAGDHXVEGR-JTQLQIEISA-N	-1	1	316.358	-1.200	20	0		DAADMM
CO[C@@](C)(CO)CNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC000847552693	663889195	/nfs/dbraw/zinc/88/91/95/663889195.db2.gz	HONREFJVZINWDX-CQSZACIVSA-N	-1	1	321.337	-1.206	20	0		DAADMM
CO[C@](C)(CO)CNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC000847552690	663889372	/nfs/dbraw/zinc/88/93/72/663889372.db2.gz	HONREFJVZINWDX-AWEZNQCLSA-N	-1	1	321.337	-1.206	20	0		DAADMM
O=S(=O)([N-]C[C@H](O)Cn1ccnn1)c1c[nH]nc1Cl	ZINC000849399526	663893747	/nfs/dbraw/zinc/89/37/47/663893747.db2.gz	MJBANWGTPHPNQY-LURJTMIESA-N	-1	1	306.735	-1.006	20	0		DAADMM
COC[C@H]([N-]S(=O)(=O)C[C@@]1(OC(C)C)CCOC1)C(N)=O	ZINC000851775175	663896918	/nfs/dbraw/zinc/89/69/18/663896918.db2.gz	OERIMVQPTMSMIQ-CMPLNLGQSA-N	-1	1	324.399	-1.010	20	0		DAADMM
CCO[N-]C(=O)CNS(=O)(=O)c1cc(C(=O)OC)no1	ZINC000859208512	663911477	/nfs/dbraw/zinc/91/14/77/663911477.db2.gz	OYNJHAMWZMIQQP-UHFFFAOYSA-N	-1	1	307.284	-1.193	20	0		DAADMM
COc1ccc(C(=O)[N-]C(=O)CN2C[C@H](O)C[C@H]2C(N)=O)cc1	ZINC000859515826	663913280	/nfs/dbraw/zinc/91/32/80/663913280.db2.gz	IUAFAKVYMXKJRL-PWSUYJOCSA-N	-1	1	321.333	-1.128	20	0		DAADMM
CCN(C)C(=O)C[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C	ZINC000882086464	663958119	/nfs/dbraw/zinc/95/81/19/663958119.db2.gz	XAVNDXKHCLCZEL-QGZVFWFLSA-N	-1	1	300.406	-1.127	20	0		DAADMM
CO[N-]C(=O)CNC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1	ZINC000927211852	663985416	/nfs/dbraw/zinc/98/54/16/663985416.db2.gz	ORJVXJFQKASHLT-QWRGUYRKSA-N	-1	1	300.359	-1.095	20	0		DAADMM
CN(C(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CCCN(CC(N)=O)CC1	ZINC000948590917	664019422	/nfs/dbraw/zinc/01/94/22/664019422.db2.gz	PJHLDJIHZWYDNJ-MRVPVSSYSA-N	-1	1	324.341	-1.305	20	0		DAADMM
CN1CC[C@H](C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)C1=O	ZINC000949749184	664044258	/nfs/dbraw/zinc/04/42/58/664044258.db2.gz	LYPMMZFVZKDGBT-JTQLQIEISA-N	-1	1	322.369	-1.769	20	0		DAADMM
CCN(C(=O)c1cn[nH]n1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000950704880	664061396	/nfs/dbraw/zinc/06/13/96/664061396.db2.gz	FGZBNKFIGPKJKE-UHFFFAOYSA-N	-1	1	306.330	-1.427	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)Cc3cnc[nH]3)CC2)nc1=O	ZINC000950787770	664063084	/nfs/dbraw/zinc/06/30/84/664063084.db2.gz	WPIBEIVMSXZZMU-UHFFFAOYSA-N	-1	1	305.342	-1.282	20	0		DAADMM
O=C(NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)c1ncn[nH]1	ZINC000951582194	664084801	/nfs/dbraw/zinc/08/48/01/664084801.db2.gz	DWWJZIJTQMMCAP-YFKPBYRVSA-N	-1	1	320.269	-1.955	20	0		DAADMM
O=C(NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)c1nc[nH]n1	ZINC000951582194	664084807	/nfs/dbraw/zinc/08/48/07/664084807.db2.gz	DWWJZIJTQMMCAP-YFKPBYRVSA-N	-1	1	320.269	-1.955	20	0		DAADMM
C[C@H](C(N)=O)N1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC000951777179	664094388	/nfs/dbraw/zinc/09/43/88/664094388.db2.gz	AMSOCJHCQGDUCO-SNVBAGLBSA-N	-1	1	323.353	-2.055	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)c3ccncn3)CC2)nc1=O	ZINC000952301601	664109748	/nfs/dbraw/zinc/10/97/48/664109748.db2.gz	FZFCDVRUQOYDJH-UHFFFAOYSA-N	-1	1	303.326	-1.144	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)CCn3cnnn3)CC2)nc1=O	ZINC000952391925	664110358	/nfs/dbraw/zinc/11/03/58/664110358.db2.gz	FBTIWMHTNYDCDQ-UHFFFAOYSA-N	-1	1	321.345	-2.171	20	0		DAADMM
CN(C(=O)c1ccn[nH]1)C1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC000953772779	664124604	/nfs/dbraw/zinc/12/46/04/664124604.db2.gz	NQYAUFLRXJUHFA-UHFFFAOYSA-N	-1	1	321.297	-1.605	20	0		DAADMM
CN(C(=O)c1ncccc1[O-])C1CN(C(=O)Cn2cnnn2)C1	ZINC000954123894	664135693	/nfs/dbraw/zinc/13/56/93/664135693.db2.gz	CPCGCRONGVJZHH-UHFFFAOYSA-N	-1	1	317.309	-1.243	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)Cc3nnc[nH]3)CC2)nc1=O	ZINC000957131503	664205478	/nfs/dbraw/zinc/20/54/78/664205478.db2.gz	GAAKPMCYIWGBNB-UHFFFAOYSA-N	-1	1	306.330	-1.887	20	0		DAADMM
CCN(C(=O)c1cc(=O)n2[n-]cnc2n1)C1CN(CCO)C1	ZINC000957134435	664205618	/nfs/dbraw/zinc/20/56/18/664205618.db2.gz	NHEZNBJZTJCHAJ-UHFFFAOYSA-N	-1	1	306.326	-1.444	20	0		DAADMM
COCCN1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC000957314593	664209552	/nfs/dbraw/zinc/20/95/52/664209552.db2.gz	KXEHSHOGJHAPMC-UHFFFAOYSA-N	-1	1	306.326	-1.178	20	0		DAADMM
Cn1[n-]c(CN2C[C@H](O)[C@@H](CNC(=O)c3ccc[nH]3)C2)nc1=O	ZINC000957868688	664221598	/nfs/dbraw/zinc/22/15/98/664221598.db2.gz	DKTHVPVZCCRDAS-ONGXEEELSA-N	-1	1	320.353	-1.341	20	0		DAADMM
Cn1[n-]c(CN2C[C@H](O)[C@@H](CNC(=O)c3ccn[nH]3)C2)nc1=O	ZINC000957894749	664222785	/nfs/dbraw/zinc/22/27/85/664222785.db2.gz	OCOXYQXBSROVKG-WPRPVWTQSA-N	-1	1	321.341	-1.946	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@@H](CNC(=O)c3ncc[nH]3)C2)nc1=O	ZINC000958055954	664235031	/nfs/dbraw/zinc/23/50/31/664235031.db2.gz	IFDUUHPPXSJJQI-DTWKUNHWSA-N	-1	1	321.341	-1.946	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](CNC(=O)c3cc[nH]c3)[C@H](O)C2)nc1=O	ZINC000958086451	664236915	/nfs/dbraw/zinc/23/69/15/664236915.db2.gz	UVZGTQFYQZDNLJ-GHMZBOCLSA-N	-1	1	320.353	-1.341	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCO2)nc1=O	ZINC000958168187	664241502	/nfs/dbraw/zinc/24/15/02/664241502.db2.gz	DOVQYHCCTLSKQE-MIZYBKAJSA-N	-1	1	307.354	-1.166	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cccn2)nc1=O	ZINC000958238208	664250183	/nfs/dbraw/zinc/25/01/83/664250183.db2.gz	YFYRGCGKBKYCBR-IWIIMEHWSA-N	-1	1	317.353	-1.449	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccn[nH]2)nc1=O	ZINC000958292232	664253243	/nfs/dbraw/zinc/25/32/43/664253243.db2.gz	IPTJUCURTMMYOK-VROVMSAKSA-N	-1	1	303.326	-1.308	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2ccon2)nc1=O	ZINC000958434528	664266265	/nfs/dbraw/zinc/26/62/65/664266265.db2.gz	DIKATOFPUCCQQT-IWIIMEHWSA-N	-1	1	318.337	-1.115	20	0		DAADMM
CN(C(=O)C(N)=O)[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC000958944962	664304713	/nfs/dbraw/zinc/30/47/13/664304713.db2.gz	FDOOZMFOOODCMA-CBAPKCEASA-N	-1	1	308.294	-2.084	20	0		DAADMM
O=C([C@H]1CNC(=O)N1)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC000960115128	664315758	/nfs/dbraw/zinc/31/57/58/664315758.db2.gz	NRJMXLRLFVXGTC-DTWKUNHWSA-N	-1	1	323.357	-1.338	20	0		DAADMM
NC(=O)C(=O)N1C[C@H]2OCCN(C(=O)c3ncccc3[O-])[C@H]2C1	ZINC000960282184	664318654	/nfs/dbraw/zinc/31/86/54/664318654.db2.gz	SSDJPTJVFOLFIH-WCBMZHEXSA-N	-1	1	320.305	-1.676	20	0		DAADMM
C[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000960807949	664324950	/nfs/dbraw/zinc/32/49/50/664324950.db2.gz	IZFIHYHHPLTQOK-VWDOSNQTSA-N	-1	1	308.298	-2.183	20	0		DAADMM
NC(=O)C(=O)N1C[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C1	ZINC000961426484	664339772	/nfs/dbraw/zinc/33/97/72/664339772.db2.gz	BFFHKICARRGGJS-DTORHVGOSA-N	-1	1	304.306	-1.197	20	0		DAADMM
Cn1nnc(C(=O)N[C@@H]2[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]32)n1	ZINC000961504390	664344222	/nfs/dbraw/zinc/34/42/22/664344222.db2.gz	JXQLNXRFAJNYLA-QMSLJYSESA-N	-1	1	319.329	-2.508	20	0		DAADMM
Cn1ncc(C(=O)N[C@@H]2[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]32)n1	ZINC000962036389	664365542	/nfs/dbraw/zinc/36/55/42/664365542.db2.gz	XCMABKCFSIWQFO-VROVMSAKSA-N	-1	1	318.341	-1.903	20	0		DAADMM
CN(C)C(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC000962407874	664374889	/nfs/dbraw/zinc/37/48/89/664374889.db2.gz	QMIXSCMADYOZTH-VROVMSAKSA-N	-1	1	324.341	-2.176	20	0		DAADMM
NC(=O)CC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC000962435266	664375989	/nfs/dbraw/zinc/37/59/89/664375989.db2.gz	NWTXXHQNLGUTPE-APPZFPTMSA-N	-1	1	308.294	-2.036	20	0		DAADMM
O=C(N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O)c1ncccc1[O-]	ZINC000962435001	664376071	/nfs/dbraw/zinc/37/60/71/664376071.db2.gz	NFKXTEQOFORTFG-APPZFPTMSA-N	-1	1	318.293	-1.479	20	0		DAADMM
CC(=O)NC[C@H]1COCCN1C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000964052130	664399248	/nfs/dbraw/zinc/39/92/48/664399248.db2.gz	WSZAYLGVXRWORM-VIFPVBQESA-N	-1	1	320.309	-1.605	20	0		DAADMM
CC(=O)N1CCOC[C@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC000964262953	664405963	/nfs/dbraw/zinc/40/59/63/664405963.db2.gz	FUAKERICPCDRLP-SECBINFHSA-N	-1	1	320.309	-1.605	20	0		DAADMM
CN1CCOC[C@H]1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000968459430	664478716	/nfs/dbraw/zinc/47/87/16/664478716.db2.gz	GJAPRPSNAOXCKW-ZJUUUORDSA-N	-1	1	310.358	-1.469	20	0		DAADMM
Cc1ccnc(C(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)n1	ZINC000968694268	664482540	/nfs/dbraw/zinc/48/25/40/664482540.db2.gz	DLOLFIQKNIMRCJ-ZJUUUORDSA-N	-1	1	317.309	-1.482	20	0		DAADMM
CO[C@H](C(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1)C1CC1	ZINC000968694286	664482557	/nfs/dbraw/zinc/48/25/57/664482557.db2.gz	FEMFQFQNADGYML-VWYCJHECSA-N	-1	1	309.326	-1.469	20	0		DAADMM
Cc1cnc(C(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)cn1	ZINC000968694290	664482679	/nfs/dbraw/zinc/48/26/79/664482679.db2.gz	FIVCCKJSKDVFQP-MNOVXSKESA-N	-1	1	317.309	-1.482	20	0		DAADMM
CCn1ncc(C(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)n1	ZINC000968694283	664482732	/nfs/dbraw/zinc/48/27/32/664482732.db2.gz	FDBSPECJSIHZBY-ZJUUUORDSA-N	-1	1	320.313	-1.969	20	0		DAADMM
Cn1cnc(C(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)c1	ZINC000968694194	664482789	/nfs/dbraw/zinc/48/27/89/664482789.db2.gz	BBQBBXIRLHGHDV-SCZZXKLOSA-N	-1	1	305.298	-1.847	20	0		DAADMM
O=C(C[C@H]1CCNC1=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000968900888	664487946	/nfs/dbraw/zinc/48/79/46/664487946.db2.gz	UZAWIEAPDTUOGL-RKDXNWHRSA-N	-1	1	308.342	-1.273	20	0		DAADMM
O=C(CN1CCOCC1=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000968929459	664488150	/nfs/dbraw/zinc/48/81/50/664488150.db2.gz	HNNTXSKQRLPEOD-SECBINFHSA-N	-1	1	324.341	-1.940	20	0		DAADMM
CC(=O)N1C[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H](O)C1	ZINC000969056121	664489941	/nfs/dbraw/zinc/48/99/41/664489941.db2.gz	HZMOOGYRKOOAJN-BDAKNGLRSA-N	-1	1	306.282	-2.261	20	0		DAADMM
Cn1nnc(C(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)n1	ZINC001038610388	664493812	/nfs/dbraw/zinc/49/38/12/664493812.db2.gz	JXKXVCCEEFNYTM-SSDOTTSWSA-N	-1	1	307.318	-2.364	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)nc1=O	ZINC001007258523	664494160	/nfs/dbraw/zinc/49/41/60/664494160.db2.gz	KHVZBAKDJFTPJJ-IUCAKERBSA-N	-1	1	324.341	-1.703	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)nc1=O	ZINC001007258524	664494184	/nfs/dbraw/zinc/49/41/84/664494184.db2.gz	KHVZBAKDJFTPJJ-RKDXNWHRSA-N	-1	1	324.341	-1.703	20	0		DAADMM
Cc1nn[nH]c1C(=O)N[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001008155080	664499093	/nfs/dbraw/zinc/49/90/93/664499093.db2.gz	ZIIHNPWEVOCHBF-SECBINFHSA-N	-1	1	320.357	-1.071	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)nc1=O	ZINC001008173625	664499115	/nfs/dbraw/zinc/49/91/15/664499115.db2.gz	AYPGSLKRAWWWPD-NXEZZACHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cc1nn[nH]c1C(=O)N[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001008155081	664499255	/nfs/dbraw/zinc/49/92/55/664499255.db2.gz	ZIIHNPWEVOCHBF-VIFPVBQESA-N	-1	1	320.357	-1.071	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H](NC(=O)[C@H]3CCNC3=O)C2)nc1=O	ZINC001008173629	664499306	/nfs/dbraw/zinc/49/93/06/664499306.db2.gz	AYPGSLKRAWWWPD-UWVGGRQHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)nc1=O	ZINC001008379142	664501544	/nfs/dbraw/zinc/50/15/44/664501544.db2.gz	ZOXNMYOYMJSTOD-BDAKNGLRSA-N	-1	1	323.357	-2.130	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)nc1=O	ZINC001008548934	664503536	/nfs/dbraw/zinc/50/35/36/664503536.db2.gz	XCTIAHXFKYDUEN-AEJSXWLSSA-N	-1	1	322.369	-1.690	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H](NC(=O)c3cnon3)C2)nc1=O	ZINC001008939659	664505005	/nfs/dbraw/zinc/50/50/05/664505005.db2.gz	VFWXJIZGKFOVKF-MRVPVSSYSA-N	-1	1	307.314	-1.114	20	0		DAADMM
NC(=O)C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ncccc3[O-])[C@@H]2C1	ZINC001008972995	664505081	/nfs/dbraw/zinc/50/50/81/664505081.db2.gz	HVBMWEAYKXSXGN-PSVAKVPMSA-N	-1	1	304.306	-1.293	20	0		DAADMM
O=C(Cc1nnc[nH]1)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001009129343	664505619	/nfs/dbraw/zinc/50/56/19/664505619.db2.gz	FCHQFQNWJLKVMC-QMMMGPOBSA-N	-1	1	306.330	-1.048	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H](NC(=O)Cn3cncn3)C2)nc1=O	ZINC001009434381	664507719	/nfs/dbraw/zinc/50/77/19/664507719.db2.gz	LOARKJHIOVWIIV-JTQLQIEISA-N	-1	1	320.357	-1.519	20	0		DAADMM
C[C@@H](NC(=O)c1ncccc1[O-])[C@@H]1CN(C(=O)C(N)=O)CCO1	ZINC001009750386	664511417	/nfs/dbraw/zinc/51/14/17/664511417.db2.gz	WBEUNQRYBPBZAE-SCZZXKLOSA-N	-1	1	322.321	-1.382	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)nc1=O	ZINC001010038775	664512039	/nfs/dbraw/zinc/51/20/39/664512039.db2.gz	OMHJILSMDIAMAJ-QMMMGPOBSA-N	-1	1	319.325	-1.392	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)Cn3cnnn3)C2)nc1=O	ZINC001010103382	664512577	/nfs/dbraw/zinc/51/25/77/664512577.db2.gz	DWZOUBLPBZLJIB-QMMMGPOBSA-N	-1	1	307.318	-2.514	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2)nc1=O	ZINC001010494202	664516485	/nfs/dbraw/zinc/51/64/85/664516485.db2.gz	BJBZICQNGZUATM-UWVGGRQHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)C[C@@H]3COC(=O)C3)C2)nc1=O	ZINC001010570346	664516906	/nfs/dbraw/zinc/51/69/06/664516906.db2.gz	LBUPMCKYPMASPB-VHSXEESVSA-N	-1	1	323.353	-1.248	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3cncnc3)C2)nc1=O	ZINC001010714342	664518663	/nfs/dbraw/zinc/51/86/63/664518663.db2.gz	VXCZGQHGGXCERG-SNVBAGLBSA-N	-1	1	303.326	-1.097	20	0		DAADMM
NC(=O)C(=O)N1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)CC1	ZINC001011152709	664526345	/nfs/dbraw/zinc/52/63/45/664526345.db2.gz	GHGRKWYTFAILPB-UHFFFAOYSA-N	-1	1	319.321	-1.171	20	0		DAADMM
CN1CC[C@@H](C(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)C1=O	ZINC001038628316	664546914	/nfs/dbraw/zinc/54/69/14/664546914.db2.gz	LZVPWYHFSDDJCC-ZJUUUORDSA-N	-1	1	322.369	-1.723	20	0		DAADMM
Cc1nc(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n[nH]1	ZINC001014399366	664553646	/nfs/dbraw/zinc/55/36/46/664553646.db2.gz	UZCHQSOORUVJQA-MRVPVSSYSA-N	-1	1	306.330	-1.130	20	0		DAADMM
CN1C[C@H](C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)CC1=O	ZINC001014618669	664556255	/nfs/dbraw/zinc/55/62/55/664556255.db2.gz	RYPHADFBOBFAHC-ZJUUUORDSA-N	-1	1	322.369	-1.723	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)nc1=O	ZINC001015040302	664559286	/nfs/dbraw/zinc/55/92/86/664559286.db2.gz	ARBBWSNZOSTVDS-ZJUUUORDSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cc1nc(CN2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n[nH]1	ZINC001015108356	664560384	/nfs/dbraw/zinc/56/03/84/664560384.db2.gz	BHARCHXTJFLWNI-ZETCQYMHSA-N	-1	1	320.313	-1.286	20	0		DAADMM
Cc1nc(CN2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n[nH]1	ZINC001015108355	664560506	/nfs/dbraw/zinc/56/05/06/664560506.db2.gz	BHARCHXTJFLWNI-SSDOTTSWSA-N	-1	1	320.313	-1.286	20	0		DAADMM
Cc1nn[nH]c1C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001015480681	664562836	/nfs/dbraw/zinc/56/28/36/664562836.db2.gz	WWZHHJYFPOBZRF-QMMMGPOBSA-N	-1	1	306.330	-1.461	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@@]3(C)CNC(=O)C3)C2)nc1=O	ZINC001015380017	664563168	/nfs/dbraw/zinc/56/31/68/664563168.db2.gz	ZFAZFSHDTNRXFW-YMTOWFKASA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)nc1=O	ZINC001015504335	664563649	/nfs/dbraw/zinc/56/36/49/664563649.db2.gz	ORQKGIGBFQACJY-RKDXNWHRSA-N	-1	1	308.342	-2.065	20	0		DAADMM
CN1CC[C@@H](C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)C1=O	ZINC001015551427	664564886	/nfs/dbraw/zinc/56/48/86/664564886.db2.gz	VNZZZXXTAACZCV-UWVGGRQHSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN1CC(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)=NC1=O	ZINC001015657079	664566611	/nfs/dbraw/zinc/56/66/11/664566611.db2.gz	JRKGBQTXKBKPED-SSDOTTSWSA-N	-1	1	307.314	-1.046	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@@]3(C)CCNC3=O)C2)nc1=O	ZINC001015695729	664567017	/nfs/dbraw/zinc/56/70/17/664567017.db2.gz	OBPRLZZCBPGBCH-XPTSAGLGSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)nc1=O	ZINC001015833306	664568240	/nfs/dbraw/zinc/56/82/40/664568240.db2.gz	BCIUNAILAUNCRY-UWVGGRQHSA-N	-1	1	322.369	-1.532	20	0		DAADMM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H]1CCN(CCCO)C1	ZINC001015865156	664568634	/nfs/dbraw/zinc/56/86/34/664568634.db2.gz	RNEXMJPWWZXEPM-JTQLQIEISA-N	-1	1	320.353	-1.356	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3ncccn3)C2)nc1=O	ZINC001015885917	664569495	/nfs/dbraw/zinc/56/94/95/664569495.db2.gz	VDQIUMCTCXRTHM-VIFPVBQESA-N	-1	1	303.326	-1.097	20	0		DAADMM
C[C@@H](C(N)=O)N1CC[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001015991943	664570344	/nfs/dbraw/zinc/57/03/44/664570344.db2.gz	IGNQYCANGJNURL-YUMQZZPRSA-N	-1	1	319.325	-1.905	20	0		DAADMM
Cn1ccc(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001016254104	664572726	/nfs/dbraw/zinc/57/27/26/664572726.db2.gz	RKTHMTBUQXDOHU-SECBINFHSA-N	-1	1	305.342	-1.154	20	0		DAADMM
C[C@@H](O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001017704190	664582897	/nfs/dbraw/zinc/58/28/97/664582897.db2.gz	CRGDXIKSSFKTRU-HLTSFMKQSA-N	-1	1	309.326	-1.048	20	0		DAADMM
O=C(CN1CCOCC1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001018732897	664589338	/nfs/dbraw/zinc/58/93/38/664589338.db2.gz	NZZWIFRUFFLMCW-JTQLQIEISA-N	-1	1	310.358	-1.467	20	0		DAADMM
CC(=O)N1CC(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)C1	ZINC001018769482	664589954	/nfs/dbraw/zinc/58/99/54/664589954.db2.gz	OMFANFLSXXVXAH-JTQLQIEISA-N	-1	1	308.342	-1.321	20	0		DAADMM
Cc1nnc(CC(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)[nH]1	ZINC001018826574	664590469	/nfs/dbraw/zinc/59/04/69/664590469.db2.gz	HKMAOKWGMAWLGN-QMMMGPOBSA-N	-1	1	306.330	-1.130	20	0		DAADMM
O=C([C@H]1CCCNC1=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019002202	664592755	/nfs/dbraw/zinc/59/27/55/664592755.db2.gz	MQNNGVJHARQZAR-IUCAKERBSA-N	-1	1	308.342	-1.273	20	0		DAADMM
Cn1cnc(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)cc1=O	ZINC001018987282	664592847	/nfs/dbraw/zinc/59/28/47/664592847.db2.gz	LDWDIWOHGWKPIL-QMMMGPOBSA-N	-1	1	319.325	-1.392	20	0		DAADMM
Cn1cnn(CC(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)c1=O	ZINC001019063113	664594229	/nfs/dbraw/zinc/59/42/29/664594229.db2.gz	APKRMOOSBVYKKV-QMMMGPOBSA-N	-1	1	322.329	-2.204	20	0		DAADMM
NC(=O)C(=O)N1CC[C@H](NCc2cc(=O)n3[n-]ccc3n2)C1	ZINC001019313006	664598411	/nfs/dbraw/zinc/59/84/11/664598411.db2.gz	DOQKNPGUCRCHLN-QMMMGPOBSA-N	-1	1	304.310	-1.802	20	0		DAADMM
C[C@@]1(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)CCNC1=O	ZINC001019375283	664600438	/nfs/dbraw/zinc/60/04/38/664600438.db2.gz	ATGKAEMRRVKJHC-ISVAXAHUSA-N	-1	1	308.342	-1.273	20	0		DAADMM
O=C(CN1C(=O)CNC1=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019748210	664603903	/nfs/dbraw/zinc/60/39/03/664603903.db2.gz	QIADTMSTLZFLCB-ZETCQYMHSA-N	-1	1	323.313	-2.247	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)c2cn[nH]c(=O)c2)nc1=O	ZINC001038382252	664612975	/nfs/dbraw/zinc/61/29/75/664612975.db2.gz	PCCYSNGLZXSGRL-SECBINFHSA-N	-1	1	319.325	-1.392	20	0		DAADMM
Cc1nn[nH]c1C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001038579561	664614551	/nfs/dbraw/zinc/61/45/51/664614551.db2.gz	PHBOGDMCAUZENG-QMMMGPOBSA-N	-1	1	306.330	-1.461	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)nc1=O	ZINC001038653980	664615779	/nfs/dbraw/zinc/61/57/79/664615779.db2.gz	GCYWBDYSQYLCSC-SFYZADRCSA-N	-1	1	309.330	-2.520	20	0		DAADMM
Cn1cc(C(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)[nH]c1=O	ZINC001038658069	664615985	/nfs/dbraw/zinc/61/59/85/664615985.db2.gz	QRWZWRKXCBWRHD-MRVPVSSYSA-N	-1	1	321.341	-1.448	20	0		DAADMM
CN1CC(C(=O)NC[C@H]2CCN2Cc2n[nH]c(=O)[n-]2)=NC1=O	ZINC001038656787	664615989	/nfs/dbraw/zinc/61/59/89/664615989.db2.gz	GICZESMCFRWRGX-SSDOTTSWSA-N	-1	1	307.314	-1.046	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCCOCCO	ZINC000912547967	677818341	/nfs/dbraw/zinc/81/83/41/677818341.db2.gz	QGTCWVWANLKHNJ-UHFFFAOYSA-N	-1	1	307.328	-1.126	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CC(=O)N(C)C1	ZINC000912541006	677818432	/nfs/dbraw/zinc/81/84/32/677818432.db2.gz	BUVZXKDONBQCIN-LURJTMIESA-N	-1	1	302.312	-1.295	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@]1(O)CCOC1	ZINC000912543152	677818542	/nfs/dbraw/zinc/81/85/42/677818542.db2.gz	SODKLGJHNGKQHV-JTQLQIEISA-N	-1	1	305.312	-1.374	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCn1ncnn1	ZINC000912542720	677818552	/nfs/dbraw/zinc/81/85/52/677818552.db2.gz	QMFQIPNTXOSJRT-UHFFFAOYSA-N	-1	1	301.288	-1.839	20	0		DAADMM
CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C(F)F	ZINC001081248886	678062649	/nfs/dbraw/zinc/06/26/49/678062649.db2.gz	GHRKTNZWNSXQDY-RNFRBKRXSA-N	-1	1	305.285	-1.311	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082660393	678118382	/nfs/dbraw/zinc/11/83/82/678118382.db2.gz	YDDLVXJZPCFIHL-RFXMVYNHSA-N	-1	1	322.369	-1.027	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082611552	678118496	/nfs/dbraw/zinc/11/84/96/678118496.db2.gz	MJZVIFSFNZAFHZ-KXUCPTDWSA-N	-1	1	322.369	-1.027	20	0		DAADMM
C[C@@H](NC(=O)c1cnnn1C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000969599789	677681240	/nfs/dbraw/zinc/68/12/40/677681240.db2.gz	RXWSEYOZIKKTMM-MRVPVSSYSA-N	-1	1	320.357	-1.513	20	0		DAADMM
CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(=O)n4[n-]cnc4n3)[C@H]2C1	ZINC001083247124	677683375	/nfs/dbraw/zinc/68/33/75/677683375.db2.gz	BLRJIOKLOQHPBF-WDEREUQCSA-N	-1	1	318.337	-1.037	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3ccccn3)[C@@H](O)C2)nc1=O	ZINC001083306846	677687789	/nfs/dbraw/zinc/68/77/89/677687789.db2.gz	BSBATHWTLPGXOQ-MNOVXSKESA-N	-1	1	318.337	-1.522	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3ccncc3)[C@@H](O)C2)nc1=O	ZINC001083309475	677687910	/nfs/dbraw/zinc/68/79/10/677687910.db2.gz	ZMQBNPYAAFVYPQ-MNOVXSKESA-N	-1	1	318.337	-1.522	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)nc1=O	ZINC001028519764	677690124	/nfs/dbraw/zinc/69/01/24/677690124.db2.gz	SNOHAADQTOJTGB-RKDXNWHRSA-N	-1	1	324.341	-1.845	20	0		DAADMM
Cn1cc(C(=O)NC[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001028518103	677690268	/nfs/dbraw/zinc/69/02/68/677690268.db2.gz	OSBHERMAKPDVPD-SECBINFHSA-N	-1	1	320.357	-1.511	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](CNC(=O)[C@@H]3COC(=O)N3)C2)nc1=O	ZINC001028519763	677690278	/nfs/dbraw/zinc/69/02/78/677690278.db2.gz	SNOHAADQTOJTGB-IUCAKERBSA-N	-1	1	324.341	-1.845	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3ccn[nH]3)[C@@H](O)C2)nc1=O	ZINC001083349655	677691050	/nfs/dbraw/zinc/69/10/50/677691050.db2.gz	KGFSIIBOMZNHPX-BDAKNGLRSA-N	-1	1	307.314	-2.193	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3cocn3)[C@@H](O)C2)nc1=O	ZINC001083369578	677691916	/nfs/dbraw/zinc/69/19/16/677691916.db2.gz	DQBHRIGJTHBPKP-APPZFPTMSA-N	-1	1	308.298	-1.929	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)[C@@H](O)C2)nc1=O	ZINC001083371058	677691932	/nfs/dbraw/zinc/69/19/32/677691932.db2.gz	XIJVVNSQYODWTN-HLTSFMKQSA-N	-1	1	324.341	-2.952	20	0		DAADMM
CN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001083372489	677692057	/nfs/dbraw/zinc/69/20/57/677692057.db2.gz	SPPYAXIRZLSKDQ-UTLUCORTSA-N	-1	1	310.358	-1.734	20	0		DAADMM
Cc1[nH]ccc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001083396168	677693569	/nfs/dbraw/zinc/69/35/69/677693569.db2.gz	ATYWWQYPCANFGU-MNOVXSKESA-N	-1	1	320.353	-1.280	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](CNC(=O)[C@H]3CCNC3=O)C2)nc1=O	ZINC001028734602	677693791	/nfs/dbraw/zinc/69/37/91/677693791.db2.gz	BDVUYJQDENFHDI-UWVGGRQHSA-N	-1	1	322.369	-1.817	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3cncnc3)[C@@H](O)C2)nc1=O	ZINC001083422070	677700258	/nfs/dbraw/zinc/70/02/58/677700258.db2.gz	FTVGRWIDDKRIMR-ZJUUUORDSA-N	-1	1	319.325	-2.127	20	0		DAADMM
CNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC001083423264	677700793	/nfs/dbraw/zinc/70/07/93/677700793.db2.gz	MZJBROMYEWWKSP-KKZNHRDASA-N	-1	1	308.338	-1.303	20	0		DAADMM
O=C(N[C@@H]1CN([C@H]2CCCNC2=O)C[C@@H]1O)c1ncccc1[O-]	ZINC001083423239	677700988	/nfs/dbraw/zinc/70/09/88/677700988.db2.gz	LXAWKQHZYQUHKG-SCVCMEIPSA-N	-1	1	320.349	-1.159	20	0		DAADMM
CNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC001083423265	677701044	/nfs/dbraw/zinc/70/10/44/677701044.db2.gz	MZJBROMYEWWKSP-NGZCFLSTSA-N	-1	1	308.338	-1.303	20	0		DAADMM
C[C@@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)Cc1nnc[nH]1	ZINC000987329370	677707438	/nfs/dbraw/zinc/70/74/38/677707438.db2.gz	NEKDNLXHUVGVEN-HTQZYQBOSA-N	-1	1	306.330	-1.050	20	0		DAADMM
Cn1nncc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001083438370	677713383	/nfs/dbraw/zinc/71/33/83/677713383.db2.gz	HUVCVPNIVLIJPE-APPZFPTMSA-N	-1	1	322.329	-2.788	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)[C@]34C[C@H]3COC4)[C@@H](O)C2)nc1=O	ZINC001083475781	677724833	/nfs/dbraw/zinc/72/48/33/677724833.db2.gz	BXTBJRDPPYCLLV-JIXVBMEVSA-N	-1	1	323.353	-2.194	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)C3(C4CC4)CC3)[C@@H](O)C2)nc1=O	ZINC001083550731	677744895	/nfs/dbraw/zinc/74/48/95/677744895.db2.gz	XSOFZSXZOLODAZ-MNOVXSKESA-N	-1	1	321.381	-1.040	20	0		DAADMM
Cc1ccc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)o1	ZINC001076714202	677751170	/nfs/dbraw/zinc/75/11/70/677751170.db2.gz	NEEYDKDAADAPNS-NXEZZACHSA-N	-1	1	321.337	-1.015	20	0		DAADMM
Cn1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)cn1	ZINC001076729086	677752404	/nfs/dbraw/zinc/75/24/04/677752404.db2.gz	HFUJYFHIPDCWSN-NXEZZACHSA-N	-1	1	321.341	-2.183	20	0		DAADMM
Cn1cccc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001076750012	677753944	/nfs/dbraw/zinc/75/39/44/677753944.db2.gz	XGEFJUWOFILWMA-MWLCHTKSSA-N	-1	1	320.353	-1.578	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3ccon3)C2)nc1=O	ZINC001076772066	677755612	/nfs/dbraw/zinc/75/56/12/677755612.db2.gz	NMRUSIRRWYUYKG-RKDXNWHRSA-N	-1	1	308.298	-1.929	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)nc1=O	ZINC001076792383	677757268	/nfs/dbraw/zinc/75/72/68/677757268.db2.gz	UPUGRLMQVPZEJM-OPRDCNLKSA-N	-1	1	311.342	-2.194	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)nc1=O	ZINC001076810018	677758531	/nfs/dbraw/zinc/75/85/31/677758531.db2.gz	XIJVVNSQYODWTN-IWSPIJDZSA-N	-1	1	324.341	-2.952	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C3CC=CC3)C2)nc1=O	ZINC001076827004	677760271	/nfs/dbraw/zinc/76/02/71/677760271.db2.gz	UDZUCPTZZUFTDZ-GHMZBOCLSA-N	-1	1	307.354	-1.264	20	0		DAADMM
C[C@@H](C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O)C1CC1	ZINC001076850382	677762408	/nfs/dbraw/zinc/76/24/08/677762408.db2.gz	WKHBOQRPCUFOHV-FBIMIBRVSA-N	-1	1	309.370	-1.184	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C3=CCCC3)C2)nc1=O	ZINC001076876313	677763659	/nfs/dbraw/zinc/76/36/59/677763659.db2.gz	LIYJHYKYPJQWPE-GHMZBOCLSA-N	-1	1	307.354	-1.120	20	0		DAADMM
Cn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001076916244	677768840	/nfs/dbraw/zinc/76/88/40/677768840.db2.gz	AUWWOCYSJDLXHG-PSASIEDQSA-N	-1	1	319.325	-1.714	20	0		DAADMM
O=C(N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1O)c1ncccc1[O-]	ZINC001076916986	677769213	/nfs/dbraw/zinc/76/92/13/677769213.db2.gz	LXAWKQHZYQUHKG-CKYFFXLPSA-N	-1	1	320.349	-1.159	20	0		DAADMM
CNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001076917020	677769499	/nfs/dbraw/zinc/76/94/99/677769499.db2.gz	MZJBROMYEWWKSP-IQJOONFLSA-N	-1	1	308.338	-1.303	20	0		DAADMM
Cn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1	ZINC001076916940	677769533	/nfs/dbraw/zinc/76/95/33/677769533.db2.gz	JRXUBBUOHFMOMJ-MWLCHTKSSA-N	-1	1	318.337	-1.109	20	0		DAADMM
O=C(N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1O)c1ncccc1[O-]	ZINC001076916891	677769638	/nfs/dbraw/zinc/76/96/38/677769638.db2.gz	HDPOIFZUSHQNSW-WCABBAIRSA-N	-1	1	306.322	-1.549	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)nc1=O	ZINC001077064588	677781586	/nfs/dbraw/zinc/78/15/86/677781586.db2.gz	QHKUPJQNLRSCOF-RKDXNWHRSA-N	-1	1	322.329	-2.939	20	0		DAADMM
CO[C@@H](C)CN1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1	ZINC001083606593	677810834	/nfs/dbraw/zinc/81/08/34/677810834.db2.gz	GGZHGWRWWKNFAX-RNJXMRFFSA-N	-1	1	313.314	-1.907	20	0		DAADMM
COCC(=O)N[C@@H](C)CCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001077487026	677831849	/nfs/dbraw/zinc/83/18/49/677831849.db2.gz	BLXZXTGTJYLCDU-QMMMGPOBSA-N	-1	1	322.325	-1.311	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3cnco3)[C@@H](O)C2)nc1=O	ZINC001083681692	677833515	/nfs/dbraw/zinc/83/35/15/677833515.db2.gz	OYXZDKCTJPSNMG-SFYZADRCSA-N	-1	1	308.298	-1.929	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)Cc3cnoc3)[C@@H](O)C2)nc1=O	ZINC001083720083	677847169	/nfs/dbraw/zinc/84/71/69/677847169.db2.gz	KQNIRXPTHZNCFA-ZJUUUORDSA-N	-1	1	322.325	-2.000	20	0		DAADMM
C[C@@H]1CCN(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2O)C1	ZINC001077679313	677872808	/nfs/dbraw/zinc/87/28/08/677872808.db2.gz	OENSSDYGBFRBSC-GMTAPVOTSA-N	-1	1	324.385	-1.487	20	0		DAADMM
CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001077700282	677875026	/nfs/dbraw/zinc/87/50/26/677875026.db2.gz	YXVUFNBYSURRSB-GWOFURMSSA-N	-1	1	309.370	-1.184	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]cn3)C2)nc1=O	ZINC001077746388	677878608	/nfs/dbraw/zinc/87/86/08/677878608.db2.gz	PEKJITXCGAJOLA-NXEZZACHSA-N	-1	1	321.341	-2.265	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3C3CC3)C2)nc1=O	ZINC001077813947	677883084	/nfs/dbraw/zinc/88/30/84/677883084.db2.gz	KYNWMYYYAUFMEW-IRCOFANPSA-N	-1	1	321.381	-1.184	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)Cc3ccco3)C2)nc1=O	ZINC001077876713	677895968	/nfs/dbraw/zinc/89/59/68/677895968.db2.gz	JERBLZYVPXFEBK-GHMZBOCLSA-N	-1	1	321.337	-1.395	20	0		DAADMM
COCCN1C[C@@H](O)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001078084317	677907553	/nfs/dbraw/zinc/90/75/53/677907553.db2.gz	MXCGKHYPYMYIJS-HTQZYQBOSA-N	-1	1	301.303	-2.503	20	0		DAADMM
Cn1ccc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)n1	ZINC001078175835	677915715	/nfs/dbraw/zinc/91/57/15/677915715.db2.gz	ORNPEDAXCZZITE-NXEZZACHSA-N	-1	1	321.341	-2.183	20	0		DAADMM
CC(=O)N1CCOC[C@@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001061706283	677962146	/nfs/dbraw/zinc/96/21/46/677962146.db2.gz	HZWKDMINOJKMRN-NSHDSACASA-N	-1	1	324.337	-1.710	20	0		DAADMM
NC(=O)CC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CCO1	ZINC001065074320	678012559	/nfs/dbraw/zinc/01/25/59/678012559.db2.gz	VBIMKMFHQRVVSD-SECBINFHSA-N	-1	1	322.321	-1.380	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1cnnn1C	ZINC001079644087	678023764	/nfs/dbraw/zinc/02/37/64/678023764.db2.gz	MIJRQOMIALDIGG-RKDXNWHRSA-N	-1	1	320.357	-1.513	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1COC(=O)N1	ZINC001079642878	678024671	/nfs/dbraw/zinc/02/46/71/678024671.db2.gz	PSGWWUZRZUXFAC-IWSPIJDZSA-N	-1	1	324.341	-1.847	20	0		DAADMM
C[C@@H]1CN(CCO)C[C@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC001080636850	678039044	/nfs/dbraw/zinc/03/90/44/678039044.db2.gz	VQOPXFORVZJTRQ-MWLCHTKSSA-N	-1	1	320.353	-1.500	20	0		DAADMM
NC(=O)CC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O	ZINC001081365261	678069235	/nfs/dbraw/zinc/06/92/35/678069235.db2.gz	MJVZBBOAFFCNKL-SCZZXKLOSA-N	-1	1	322.321	-1.788	20	0		DAADMM
CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1cocn1	ZINC001081426198	678074741	/nfs/dbraw/zinc/07/47/41/678074741.db2.gz	FRJLDMOZALKGPW-PSASIEDQSA-N	-1	1	322.325	-1.274	20	0		DAADMM
C[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082556288	678117920	/nfs/dbraw/zinc/11/79/20/678117920.db2.gz	KHNBJMCYCCBWNX-OPRDCNLKSA-N	-1	1	322.369	-1.027	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082542675	678118191	/nfs/dbraw/zinc/11/81/91/678118191.db2.gz	QWYZDQBGWWBHIB-OPRDCNLKSA-N	-1	1	322.369	-1.075	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082684577	678118881	/nfs/dbraw/zinc/11/88/81/678118881.db2.gz	GOLAATHMJIROGM-HLTSFMKQSA-N	-1	1	323.357	-1.530	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)C4CC4)[C@H]3C2)nc1=O	ZINC001082973462	678120473	/nfs/dbraw/zinc/12/04/73/678120473.db2.gz	YORBVXDXBPVHMV-WDEREUQCSA-N	-1	1	307.354	-1.070	20	0		DAADMM
O=C(c1ccn[nH]1)N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21	ZINC001083008435	678121012	/nfs/dbraw/zinc/12/10/12/678121012.db2.gz	IODRILGNVOXRQC-VHSXEESVSA-N	-1	1	319.325	-1.041	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)CC(N)=O)[C@H]3C2)nc1=O	ZINC001083030380	678121401	/nfs/dbraw/zinc/12/14/01/678121401.db2.gz	IYPKNZPFYORZOO-DTWKUNHWSA-N	-1	1	324.341	-2.605	20	0		DAADMM
Cn1[n-]c(CN2CCC3(CN(C(=O)c4nc[nH]n4)C3)C2)nc1=O	ZINC001073066263	678168156	/nfs/dbraw/zinc/16/81/56/678168156.db2.gz	VOIABOHWLYVXCT-UHFFFAOYSA-N	-1	1	318.341	-1.425	20	0		DAADMM
C[C@@H](C(N)=O)N1CCC2(CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1	ZINC001073153065	678169264	/nfs/dbraw/zinc/16/92/64/678169264.db2.gz	SDNWAVJDGMNLNK-QMMMGPOBSA-N	-1	1	324.341	-1.903	20	0		DAADMM
O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1ncn[nH]1	ZINC001073825305	678180719	/nfs/dbraw/zinc/18/07/19/678180719.db2.gz	JJOXYESGEMXDTP-MRVPVSSYSA-N	-1	1	322.329	-1.351	20	0		DAADMM
O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1nc[nH]n1	ZINC001073825305	678180721	/nfs/dbraw/zinc/18/07/21/678180721.db2.gz	JJOXYESGEMXDTP-MRVPVSSYSA-N	-1	1	322.329	-1.351	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)[C@H]1CN(C)CCO1	ZINC001074581602	678197688	/nfs/dbraw/zinc/19/76/88/678197688.db2.gz	GLEGOTISOVYXCX-GARJFASQSA-N	-1	1	324.385	-1.080	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)[C@H]1CN(C)C(=O)N1	ZINC001074798680	678204645	/nfs/dbraw/zinc/20/46/45/678204645.db2.gz	UFSJLONMNCAXGT-XHNCKOQMSA-N	-1	1	323.357	-1.387	20	0		DAADMM
C[C@H](C(N)=O)N1CC[C@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001038924156	678221325	/nfs/dbraw/zinc/22/13/25/678221325.db2.gz	XGHYMYIRODPVAF-SFYZADRCSA-N	-1	1	319.325	-1.905	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)nc1=O	ZINC001040365373	678239650	/nfs/dbraw/zinc/23/96/50/678239650.db2.gz	PVPWMECAESLZJD-CQSZACIVSA-N	-1	1	322.369	-1.592	20	0		DAADMM
CC(=O)N1CC[C@](O)(CNC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001040346842	678239675	/nfs/dbraw/zinc/23/96/75/678239675.db2.gz	HFXVEHOPAHZFLZ-ZDUSSCGKSA-N	-1	1	320.309	-1.869	20	0		DAADMM
NC(=O)CN1CC[C@]2(CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1	ZINC001041447459	678288161	/nfs/dbraw/zinc/28/81/61/678288161.db2.gz	ZAGZWRNNHDLQCF-ZDUSSCGKSA-N	-1	1	322.325	-1.694	20	0		DAADMM
Cn1[n-]c(CN2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)nc1=O	ZINC001041618957	678294740	/nfs/dbraw/zinc/29/47/40/678294740.db2.gz	VSBPOCAKYOHAQG-ZDUSSCGKSA-N	-1	1	308.342	-1.982	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)nc1=O	ZINC001041987022	678309416	/nfs/dbraw/zinc/30/94/16/678309416.db2.gz	VXJFUVYELHCCHW-ZJUUUORDSA-N	-1	1	322.369	-1.593	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)nc1=O	ZINC001042209512	678318932	/nfs/dbraw/zinc/31/89/32/678318932.db2.gz	ATYRNIFEVPZJHI-DTWKUNHWSA-N	-1	1	308.342	-1.984	20	0		DAADMM
CN(C(=O)c1cnccn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042426149	678328456	/nfs/dbraw/zinc/32/84/56/678328456.db2.gz	LFSDIVWDYQWSNS-UHFFFAOYSA-N	-1	1	303.326	-1.145	20	0		DAADMM
CN(C(=O)CN1CCCC1=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042455242	678328774	/nfs/dbraw/zinc/32/87/74/678328774.db2.gz	CERPRNHPCDVVGR-UHFFFAOYSA-N	-1	1	322.369	-1.627	20	0		DAADMM
CN(C(=O)c1cnn(C)c1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042461851	678329230	/nfs/dbraw/zinc/32/92/30/678329230.db2.gz	JOXQLXJVZFHKLE-UHFFFAOYSA-N	-1	1	305.342	-1.202	20	0		DAADMM
CN(C(=O)[C@H]1COCCO1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042494708	678329859	/nfs/dbraw/zinc/32/98/59/678329859.db2.gz	LGVCPOMSEHHIOS-SNVBAGLBSA-N	-1	1	311.342	-1.834	20	0		DAADMM
Cc1cnn(CC(=O)N(C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)c1	ZINC001042519163	678330402	/nfs/dbraw/zinc/33/04/02/678330402.db2.gz	DYHAFHWXLOKMNP-UHFFFAOYSA-N	-1	1	319.369	-1.044	20	0		DAADMM
CN(C(=O)C[C@@H]1COC(=O)C1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042615448	678333814	/nfs/dbraw/zinc/33/38/14/678333814.db2.gz	GNJPIGYNWCHAGY-VIFPVBQESA-N	-1	1	323.353	-1.296	20	0		DAADMM
CN(C(=O)c1cn(C)cn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042612825	678334119	/nfs/dbraw/zinc/33/41/19/678334119.db2.gz	FFCRESFGGRMTFN-UHFFFAOYSA-N	-1	1	305.342	-1.202	20	0		DAADMM
C[C@@H](C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1)n1cncn1	ZINC001042633065	678334679	/nfs/dbraw/zinc/33/46/79/678334679.db2.gz	MIRAOQWGJHJWHG-VIFPVBQESA-N	-1	1	320.357	-1.396	20	0		DAADMM
CNC(=O)CC(=O)NCC1(O)CN(C(=O)c2ncccc2[O-])C1	ZINC001042722042	678340521	/nfs/dbraw/zinc/34/05/21/678340521.db2.gz	BFDLFUFVVTYLMZ-UHFFFAOYSA-N	-1	1	322.321	-1.774	20	0		DAADMM
CN(C(=O)Cn1ncnn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042728630	678341773	/nfs/dbraw/zinc/34/17/73/678341773.db2.gz	FPQACBXJDCCLTK-UHFFFAOYSA-N	-1	1	307.318	-2.562	20	0		DAADMM
CN(C(=O)[C@@H]1CCCNC1=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042989868	678359969	/nfs/dbraw/zinc/35/99/69/678359969.db2.gz	UFIRGXUZTDLWNM-SNVBAGLBSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN(C(=O)[C@H]1CCCNC1=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042989867	678360082	/nfs/dbraw/zinc/36/00/82/678360082.db2.gz	UFIRGXUZTDLWNM-JTQLQIEISA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN(C(=O)[C@]1(C)CNC(=O)C1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043441440	678380474	/nfs/dbraw/zinc/38/04/74/678380474.db2.gz	RYVQBWVIAJDDNR-AWEZNQCLSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN(C(=O)[C@@]1(F)CCOC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043643982	678387844	/nfs/dbraw/zinc/38/78/44/678387844.db2.gz	CMIZUABMVXTGBI-CYBMUJFWSA-N	-1	1	313.333	-1.120	20	0		DAADMM
CN(C(=O)[C@]1(F)CCOC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043643985	678388092	/nfs/dbraw/zinc/38/80/92/678388092.db2.gz	CMIZUABMVXTGBI-ZDUSSCGKSA-N	-1	1	313.333	-1.120	20	0		DAADMM
CN(C(=O)[C@@H]1CNC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043708859	678390912	/nfs/dbraw/zinc/39/09/12/678390912.db2.gz	JCDLKBCVQWSMDM-QMMMGPOBSA-N	-1	1	309.330	-2.568	20	0		DAADMM
Cc1ccnn1CC(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043986235	678408040	/nfs/dbraw/zinc/40/80/40/678408040.db2.gz	BGCBYVUBDMIXNR-UHFFFAOYSA-N	-1	1	319.369	-1.044	20	0		DAADMM
CN(C(=O)Cc1cnc[nH]1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043978380	678408120	/nfs/dbraw/zinc/40/81/20/678408120.db2.gz	UXJNKPOWUXSLMT-UHFFFAOYSA-N	-1	1	305.342	-1.283	20	0		DAADMM
C[C@H](O)CN1CC(N(C)C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001044182602	678415231	/nfs/dbraw/zinc/41/52/31/678415231.db2.gz	WDKSOTIILBMKRZ-QMMMGPOBSA-N	-1	1	306.326	-1.445	20	0		DAADMM
CN1CCO[C@H](C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)C1	ZINC001044974726	678442754	/nfs/dbraw/zinc/44/27/54/678442754.db2.gz	HRPASDCBIQDENS-QWRGUYRKSA-N	-1	1	324.385	-1.079	20	0		DAADMM
O=C(Cn1nccn1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001045052127	678445469	/nfs/dbraw/zinc/44/54/69/678445469.db2.gz	CBNXFTZJCIHYFV-VIFPVBQESA-N	-1	1	306.330	-1.117	20	0		DAADMM
CC(=O)N1CCN([C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)CC1	ZINC001045992109	678472202	/nfs/dbraw/zinc/47/22/02/678472202.db2.gz	ISDCHJMRBQJWKH-GFCCVEGCSA-N	-1	1	308.386	-1.153	20	0		DAADMM
Cn1cc(C(=O)N[C@@]2(C)CCN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001046293833	678480973	/nfs/dbraw/zinc/48/09/73/678480973.db2.gz	ONOYQGHXWPZMKF-ZDUSSCGKSA-N	-1	1	320.357	-1.369	20	0		DAADMM
Cc1nn[nH]c1C(=O)N[C@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001046530652	678484331	/nfs/dbraw/zinc/48/43/31/678484331.db2.gz	JLTRGMWDBGYKNH-CYBMUJFWSA-N	-1	1	320.357	-1.071	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](C)(NC(=O)[C@@H]3CCNC3=O)C2)nc1=O	ZINC001046540655	678484554	/nfs/dbraw/zinc/48/45/54/678484554.db2.gz	YIVQYQZCEIJTNM-OTYXRUKQSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](C)(NC(=O)[C@H]3CNC(=O)N3)C2)nc1=O	ZINC001046589232	678487087	/nfs/dbraw/zinc/48/70/87/678487087.db2.gz	TWRZWJLQQXPNIY-OQPBUACISA-N	-1	1	323.357	-2.130	20	0		DAADMM
Cn1ncc(C(=O)N[C@]2(C)CCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001046698378	678488831	/nfs/dbraw/zinc/48/88/31/678488831.db2.gz	DJMIEXLXOVDJEW-CYBMUJFWSA-N	-1	1	320.357	-1.369	20	0		DAADMM
C[C@]1(NC(=O)c2cc(=O)n3[n-]cnc3n2)CCN(CC(N)=O)C1	ZINC001046769183	678490975	/nfs/dbraw/zinc/49/09/75/678490975.db2.gz	OXZYHYWQTMFUFH-ZDUSSCGKSA-N	-1	1	319.325	-1.903	20	0		DAADMM
C[C@@]1(NC(=O)c2cc(=O)n3[n-]cnc3n2)CCN(CC(N)=O)C1	ZINC001046769182	678491210	/nfs/dbraw/zinc/49/12/10/678491210.db2.gz	OXZYHYWQTMFUFH-CYBMUJFWSA-N	-1	1	319.325	-1.903	20	0		DAADMM
CN(C(=O)c1ncccc1[O-])[C@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O	ZINC001047359532	678511234	/nfs/dbraw/zinc/51/12/34/678511234.db2.gz	ZBOYJBAXRGSAHP-SCVCMEIPSA-N	-1	1	320.349	-1.207	20	0		DAADMM
CN(C(=O)c1nc[nH]n1)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001047569070	678531440	/nfs/dbraw/zinc/53/14/40/678531440.db2.gz	PTWWEVRPSARALK-YUMQZZPRSA-N	-1	1	322.329	-2.456	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]3[C@H]2CCCN3C(=O)CC(N)=O)nc1=O	ZINC001049382110	678581165	/nfs/dbraw/zinc/58/11/65/678581165.db2.gz	MUYHXOOVPNUESF-ZJUUUORDSA-N	-1	1	322.369	-1.451	20	0		DAADMM
Cn1[n-]c(CN2CC3(C2)CN(C(=O)CC(N)=O)CCO3)nc1=O	ZINC001053199613	678595789	/nfs/dbraw/zinc/59/57/89/678595789.db2.gz	WLHCZVBXKJSXGF-UHFFFAOYSA-N	-1	1	324.341	-2.603	20	0		DAADMM
NC(=O)CN1CC2(C1)CN(C(=O)c1ncccc1[O-])CCO2	ZINC001053232567	678596123	/nfs/dbraw/zinc/59/61/23/678596123.db2.gz	RQNWQAFBCDSYJP-UHFFFAOYSA-N	-1	1	306.322	-1.201	20	0		DAADMM
Cn1[n-]c(CN2CC3(C2)C[C@H](NC(=O)C(N)=O)CO3)nc1=O	ZINC001053911743	678622236	/nfs/dbraw/zinc/62/22/36/678622236.db2.gz	LRONPEWXWWGPFN-ZETCQYMHSA-N	-1	1	310.314	-2.947	20	0		DAADMM
C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054367488	678630582	/nfs/dbraw/zinc/63/05/82/678630582.db2.gz	RBCNFZGYRTXNRQ-JGVFFNPUSA-N	-1	1	307.318	-1.867	20	0		DAADMM
C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054461470	678631442	/nfs/dbraw/zinc/63/14/42/678631442.db2.gz	PEXJZDQIDVLHFL-SFYZADRCSA-N	-1	1	317.371	-1.509	20	0		DAADMM
C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054596225	678632552	/nfs/dbraw/zinc/63/25/52/678632552.db2.gz	FKVFDUFKMHZBFP-HTQZYQBOSA-N	-1	1	322.329	-1.556	20	0		DAADMM
CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)C1	ZINC001054597664	678632580	/nfs/dbraw/zinc/63/25/80/678632580.db2.gz	AUYXPRAZZCLZDP-LDYMZIIASA-N	-1	1	322.369	-1.075	20	0		DAADMM
CC(=O)N1CC(C(=O)N2C[C@H](NCc3n[nH]c(=O)[n-]3)[C@@H](C)C2)C1	ZINC001054597663	678632892	/nfs/dbraw/zinc/63/28/92/678632892.db2.gz	AUYXPRAZZCLZDP-KWQFWETISA-N	-1	1	322.369	-1.075	20	0		DAADMM
C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054635388	678633583	/nfs/dbraw/zinc/63/35/83/678633583.db2.gz	OYBQJJNHCZNPBX-SFYZADRCSA-N	-1	1	306.330	-1.111	20	0		DAADMM
C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054649957	678634262	/nfs/dbraw/zinc/63/42/62/678634262.db2.gz	OPAQBYGMGWEWOK-JGVFFNPUSA-N	-1	1	307.318	-1.867	20	0		DAADMM
C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054770197	678634903	/nfs/dbraw/zinc/63/49/03/678634903.db2.gz	ZQZFPCSLJAWKEY-JGVFFNPUSA-N	-1	1	310.358	-1.042	20	0		DAADMM
C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054981871	678637093	/nfs/dbraw/zinc/63/70/93/678637093.db2.gz	PQJQKLAYNKDNAQ-RQJHMYQMSA-N	-1	1	307.318	-1.716	20	0		DAADMM
C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001055017329	678637730	/nfs/dbraw/zinc/63/77/30/678637730.db2.gz	KEMUPKMCVMVEOG-IONNQARKSA-N	-1	1	319.325	-1.156	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)nc1=O	ZINC001050131279	678707966	/nfs/dbraw/zinc/70/79/66/678707966.db2.gz	PCXVZFHWOOZTMX-DTWKUNHWSA-N	-1	1	308.342	-1.984	20	0		DAADMM
CNC(=O)CC(=O)NCCN(CCO)C(=O)c1ncccc1[O-]	ZINC001057410429	678715074	/nfs/dbraw/zinc/71/50/74/678715074.db2.gz	RBWZTBNQMVOBFY-UHFFFAOYSA-N	-1	1	324.337	-1.526	20	0		DAADMM
NC(=O)CN1CCC2(CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)CC1	ZINC001050580152	678720303	/nfs/dbraw/zinc/72/03/03/678720303.db2.gz	FBFSJQLQKYABDV-UHFFFAOYSA-N	-1	1	322.325	-1.694	20	0		DAADMM
CN1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001050848181	678733189	/nfs/dbraw/zinc/73/31/89/678733189.db2.gz	CSFCEXPBZYGIHY-QWRGUYRKSA-N	-1	1	324.385	-1.079	20	0		DAADMM
CNC(=O)CN1CCOC[C@@H]1CNC(=O)c1ncccc1[O-]	ZINC001050891163	678735637	/nfs/dbraw/zinc/73/56/37/678735637.db2.gz	NSSSFVFEJGSUEL-JTQLQIEISA-N	-1	1	308.338	-1.036	20	0		DAADMM
Cn1[n-]c(CN2CCOC[C@H]2CNC(=O)c2ncc[nH]2)nc1=O	ZINC001050912133	678737274	/nfs/dbraw/zinc/73/72/74/678737274.db2.gz	ZUCNJMXWIFIJHW-SECBINFHSA-N	-1	1	321.341	-1.538	20	0		DAADMM
Cn1[n-]c(CN2CCOC[C@H]2CNC(=O)c2cnon2)nc1=O	ZINC001051178834	678749246	/nfs/dbraw/zinc/74/92/46/678749246.db2.gz	LULLJOBMFVZRCI-MRVPVSSYSA-N	-1	1	323.313	-1.878	20	0		DAADMM
CCN1CCOC[C@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001051208180	678749778	/nfs/dbraw/zinc/74/97/78/678749778.db2.gz	AFGKYYGNZXNYIZ-SECBINFHSA-N	-1	1	306.326	-1.132	20	0		DAADMM
O=C(Cn1cccn1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051437805	678756090	/nfs/dbraw/zinc/75/60/90/678756090.db2.gz	WRIWSVOHYPXJEK-SNVBAGLBSA-N	-1	1	321.341	-1.276	20	0		DAADMM
O=C(Cc1cc[nH]n1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051511371	678760394	/nfs/dbraw/zinc/76/03/94/678760394.db2.gz	ZKRVILXERHAKAR-JTQLQIEISA-N	-1	1	321.341	-1.207	20	0		DAADMM
Cn1cnc(C(=O)N2CCO[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)n1	ZINC001051596392	678763030	/nfs/dbraw/zinc/76/30/30/678763030.db2.gz	RSZQJVAWMVEKES-QMMMGPOBSA-N	-1	1	322.329	-1.730	20	0		DAADMM
O=C(Cn1ncnn1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051614000	678763316	/nfs/dbraw/zinc/76/33/16/678763316.db2.gz	GTRHLDLRAJQWLB-QMMMGPOBSA-N	-1	1	323.317	-2.486	20	0		DAADMM
O=C(N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1)[C@]12C[C@H]1COC2	ZINC001051628433	678764957	/nfs/dbraw/zinc/76/49/57/678764957.db2.gz	UQMLLGINWLPOLB-RBZYPMLTSA-N	-1	1	323.353	-1.136	20	0		DAADMM
O=C([C@H]1CCNC1=O)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051752122	678768624	/nfs/dbraw/zinc/76/86/24/678768624.db2.gz	DOOLWTDXFNXUDE-IUCAKERBSA-N	-1	1	324.341	-2.037	20	0		DAADMM
O=C([C@H]1CCNC1=O)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051752120	678768899	/nfs/dbraw/zinc/76/88/99/678768899.db2.gz	DOOLWTDXFNXUDE-BDAKNGLRSA-N	-1	1	324.341	-2.037	20	0		DAADMM
Cn1ncc(C(=O)N2CCO[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)n1	ZINC001051868208	678776849	/nfs/dbraw/zinc/77/68/49/678776849.db2.gz	CJFFKTWFHVEIOA-QMMMGPOBSA-N	-1	1	322.329	-1.730	20	0		DAADMM
O=C(Cc1ncc[nH]1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051883831	678777939	/nfs/dbraw/zinc/77/79/39/678777939.db2.gz	AVGDHQABCDQXQK-SECBINFHSA-N	-1	1	321.341	-1.207	20	0		DAADMM
C[C@@H](C(N)=O)N1CCC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001052529044	678792530	/nfs/dbraw/zinc/79/25/30/678792530.db2.gz	POSBWCBYRYBEEK-YUMQZZPRSA-N	-1	1	324.341	-1.259	20	0		DAADMM
CCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1n1ccnn1	ZINC001069884792	678845411	/nfs/dbraw/zinc/84/54/11/678845411.db2.gz	BMSGOIQINULUES-ZJUUUORDSA-N	-1	1	320.357	-1.348	20	0		DAADMM
CC(=O)N1C[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@@H](C)C1	ZINC001071422178	678888373	/nfs/dbraw/zinc/88/83/73/678888373.db2.gz	MLJXDWJARLRFSI-ONGXEEELSA-N	-1	1	308.338	-1.090	20	0		DAADMM
CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001071422176	678888451	/nfs/dbraw/zinc/88/84/51/678888451.db2.gz	MLJXDWJARLRFSI-KOLCDFICSA-N	-1	1	308.338	-1.090	20	0		DAADMM
CNC(=O)CNC/C=C\CNC(=O)c1c[n-]n2c1nccc2=O	ZINC001274420260	782275700	/nfs/dbraw/zinc/27/57/00/782275700.db2.gz	AOJWRVYVJONXQD-IHWYPQMZSA-N	-1	1	318.337	-1.356	20	0		DAADMM
C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001274269873	782273684	/nfs/dbraw/zinc/27/36/84/782273684.db2.gz	LEOOOSRPONTZNQ-SCZZXKLOSA-N	-1	1	322.369	-1.027	20	0		DAADMM
O=C(CCc1c[nH]nn1)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001114858977	782383874	/nfs/dbraw/zinc/38/38/74/782383874.db2.gz	LHMGUCXTRLJKGR-GDGBQDQQSA-N	-1	1	318.341	-1.192	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3CCC[C@]3(NC(=O)C(N)=O)C2)nc1=O	ZINC001099004871	782448834	/nfs/dbraw/zinc/44/88/34/782448834.db2.gz	OLTGJJWOTSXCKL-SDBXPKJASA-N	-1	1	308.342	-1.936	20	0		DAADMM
Cn1[n-]c(CN2CC(C)(C)CC[C@H]2CNC(=O)C(N)=O)nc1=O	ZINC001099203657	782449883	/nfs/dbraw/zinc/44/98/83/782449883.db2.gz	QGHCQMYLZODNFF-VIFPVBQESA-N	-1	1	324.385	-1.300	20	0		DAADMM
Cn1[n-]c(CN2CC(C)(C)CC[C@@H]2CNC(=O)C(N)=O)nc1=O	ZINC001099203656	782450898	/nfs/dbraw/zinc/45/08/98/782450898.db2.gz	QGHCQMYLZODNFF-SECBINFHSA-N	-1	1	324.385	-1.300	20	0		DAADMM
COCCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001099619684	782455772	/nfs/dbraw/zinc/45/57/72/782455772.db2.gz	CKXQCOPXEBJCAV-ZJUUUORDSA-N	-1	1	313.358	-1.804	20	0		DAADMM
CS(=O)(=O)CS(=O)(=O)NCCCC[P@](=O)([O-])O	ZINC001260595862	780533189	/nfs/dbraw/zinc/53/31/89/780533189.db2.gz	NRVMHIPBEZHWPR-UHFFFAOYSA-N	-1	1	309.302	-1.134	20	0		DAADMM
CNC(=O)CC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001101908142	782606173	/nfs/dbraw/zinc/60/61/73/782606173.db2.gz	FQFFGQBRSIPXCA-RKDXNWHRSA-N	-1	1	310.358	-1.170	20	0		DAADMM
C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)Cn1nccn1	ZINC001102007658	782611403	/nfs/dbraw/zinc/61/14/03/782611403.db2.gz	HBWYZRHAJVGZRF-NXEZZACHSA-N	-1	1	320.357	-1.014	20	0		DAADMM
Cc1nc2n(n1)CCN(C(=O)CCn1cc[n-]c(=O)c1=O)C2	ZINC001116226435	782658788	/nfs/dbraw/zinc/65/87/88/782658788.db2.gz	PGGFBHRTYDSOHI-UHFFFAOYSA-N	-1	1	304.310	-1.131	20	0		DAADMM
CC(C)NC(=O)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001116577846	782663312	/nfs/dbraw/zinc/66/33/12/782663312.db2.gz	QVTIGRVWDOITDF-UHFFFAOYSA-N	-1	1	310.358	-1.723	20	0		DAADMM
CN(C)c1noc(CNC(=O)CCn2cc[n-]c(=O)c2=O)n1	ZINC001116866777	782668879	/nfs/dbraw/zinc/66/88/79/782668879.db2.gz	CMOLNCFSACFFRT-UHFFFAOYSA-N	-1	1	308.298	-1.308	20	0		DAADMM
CN(C)C(=O)CNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001117418684	782690750	/nfs/dbraw/zinc/69/07/50/782690750.db2.gz	DZCJZTLHDDCTFW-UHFFFAOYSA-N	-1	1	304.310	-1.515	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1	ZINC001118347577	782715318	/nfs/dbraw/zinc/71/53/18/782715318.db2.gz	WKASHEAFQASEAA-VHSXEESVSA-N	-1	1	314.342	-2.552	20	0		DAADMM
CCN(CCNC(=O)[C@@H]1CCN(C)C1=O)Cc1nc(=O)n(C)[n-]1	ZINC001266411504	775138935	/nfs/dbraw/zinc/13/89/35/775138935.db2.gz	XTCNNXXADQXQGG-JTQLQIEISA-N	-1	1	324.385	-1.475	20	0		DAADMM
NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001114987062	775162423	/nfs/dbraw/zinc/16/24/23/775162423.db2.gz	UCAGLUFNAGITRM-GDGBQDQQSA-N	-1	1	321.337	-2.542	20	0		DAADMM
Cc1cnc(C(=O)N(CCO)CCNCc2n[nH]c(=O)[n-]2)cn1	ZINC001279648323	775229351	/nfs/dbraw/zinc/22/93/51/775229351.db2.gz	ZOMHMRMWLROGJA-UHFFFAOYSA-N	-1	1	321.341	-1.167	20	0		DAADMM
CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CCN(C)C(=O)C1	ZINC001267392633	775235011	/nfs/dbraw/zinc/23/50/11/775235011.db2.gz	BUPIXDQBNHNYLX-VIFPVBQESA-N	-1	1	310.358	-1.073	20	0		DAADMM
CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001114945673	775314213	/nfs/dbraw/zinc/31/42/13/775314213.db2.gz	SNSYEIQUEXGEJK-WOFXILAISA-N	-1	1	322.369	-1.867	20	0		DAADMM
O=C(N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1)[C@H]1CCNC1=O	ZINC001269099220	775442128	/nfs/dbraw/zinc/44/21/28/775442128.db2.gz	JMXNIASXUIVIEP-DTWKUNHWSA-N	-1	1	308.342	-1.369	20	0		DAADMM
O=C(N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1)[C@@H]1CCNC1=O	ZINC001269099219	775442139	/nfs/dbraw/zinc/44/21/39/775442139.db2.gz	JMXNIASXUIVIEP-BDAKNGLRSA-N	-1	1	308.342	-1.369	20	0		DAADMM
CCNC(=O)CC(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001269223168	775449910	/nfs/dbraw/zinc/44/99/10/775449910.db2.gz	LRHWRRYYFSHETO-SECBINFHSA-N	-1	1	310.358	-1.675	20	0		DAADMM
CN(C(=O)C1(C(N)=O)CC1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001269269286	775453979	/nfs/dbraw/zinc/45/39/79/775453979.db2.gz	XRCAYRGPXFAHAK-SECBINFHSA-N	-1	1	322.369	-1.593	20	0		DAADMM
CC(=O)[C@@H](C)N1CC2(CN(C(=O)Cc3nn[n-]n3)C2)OCC1=O	ZINC001269576760	775473523	/nfs/dbraw/zinc/47/35/23/775473523.db2.gz	VQWYHZIAEVWRAP-MRVPVSSYSA-N	-1	1	322.325	-1.841	20	0		DAADMM
C[C@@H](O)CN1CC(N(C)C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001269861875	775477756	/nfs/dbraw/zinc/47/77/56/775477756.db2.gz	NMJCRVBQDBEZRS-SNVBAGLBSA-N	-1	1	310.354	-1.550	20	0		DAADMM
C[C@H](O)CN1CC(N(C)C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001269861874	775478104	/nfs/dbraw/zinc/47/81/04/775478104.db2.gz	NMJCRVBQDBEZRS-JTQLQIEISA-N	-1	1	310.354	-1.550	20	0		DAADMM
CN(C)C(=O)CN1C[C@@H]2CN(C(=O)Cc3nn[n-]n3)C[C@H](C1)O2	ZINC001270182369	775484927	/nfs/dbraw/zinc/48/49/27/775484927.db2.gz	CXYUKTMYHWHZMC-AOOOYVTPSA-N	-1	1	323.357	-2.258	20	0		DAADMM
CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N(C(=O)Cc1nn[n-]n1)C2	ZINC001270182292	775485139	/nfs/dbraw/zinc/48/51/39/775485139.db2.gz	BRRBCLUXBHNIJR-ZJUUUORDSA-N	-1	1	307.358	-1.637	20	0		DAADMM
CN(C)S(=O)(=O)N1C[C@H]2C[C@@H](C1)N2C(=O)Cc1nn[n-]n1	ZINC001270186494	775485971	/nfs/dbraw/zinc/48/59/71/775485971.db2.gz	XRWBRJUCOVPVNB-OCAPTIKFSA-N	-1	1	315.359	-2.166	20	0		DAADMM
CN(C)C(=O)CN1C[C@@H]2COC[C@H](C1)N2C(=O)Cc1nn[n-]n1	ZINC001270182856	775486086	/nfs/dbraw/zinc/48/60/86/775486086.db2.gz	MNUDWWBCXRTAON-AOOOYVTPSA-N	-1	1	323.357	-2.258	20	0		DAADMM
CC(C)NC(=O)N1CCO[C@H]2CN(C(=O)Cc3nn[n-]n3)C[C@H]21	ZINC001270182946	775487052	/nfs/dbraw/zinc/48/70/52/775487052.db2.gz	OEZNZNYFSHAVEF-ZJUUUORDSA-N	-1	1	323.357	-1.228	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC2(C[C@H]2C(=O)Nc2cn[nH]c2)C1	ZINC001270784201	775506995	/nfs/dbraw/zinc/50/69/95/775506995.db2.gz	FDXBTLAOQGNCSR-QMMMGPOBSA-N	-1	1	302.298	-1.048	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC[C@@H]2C[C@@]21C(=O)NCc1c[nH]cn1	ZINC001270789504	775508384	/nfs/dbraw/zinc/50/83/84/775508384.db2.gz	RRZUQVPDFIKZSA-OQPBUACISA-N	-1	1	316.325	-1.227	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1C[C@H]2C[C@@]2(C(=O)NCC(F)F)C1	ZINC001270789694	775508463	/nfs/dbraw/zinc/50/84/63/775508463.db2.gz	UTZFWORXFSWAFJ-KSBSHMNSSA-N	-1	1	300.269	-1.028	20	0		DAADMM
C[C@@H]1c2ncc(CC(N)=O)n2CCN1C(=O)Cc1nn[n-]n1	ZINC001270788986	775508529	/nfs/dbraw/zinc/50/85/29/775508529.db2.gz	KTELJVXRMWZSDM-SSDOTTSWSA-N	-1	1	304.314	-1.430	20	0		DAADMM
Cn1ccnc1NC(=O)[C@@]12C[C@@H]1CN(C(=O)Cc1nn[n-]n1)C2	ZINC001270784377	775508624	/nfs/dbraw/zinc/50/86/24/775508624.db2.gz	HGRWSEAAMJKMPI-AMIZOPFISA-N	-1	1	316.325	-1.037	20	0		DAADMM
COCCN(C)C(=O)[C@@]12C[C@@H]1CCN2C(=O)Cc1nn[n-]n1	ZINC001270788368	775509409	/nfs/dbraw/zinc/50/94/09/775509409.db2.gz	GLOITXQBKLAFSC-TVQRCGJNSA-N	-1	1	308.342	-1.162	20	0		DAADMM
COCCN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)Cc1nn[n-]n1)C2	ZINC001270789414	775509641	/nfs/dbraw/zinc/50/96/41/775509641.db2.gz	PPNHOBYSOLEWHZ-NOZJJQNGSA-N	-1	1	308.342	-1.305	20	0		DAADMM
O=C(Cc1nn[n-]n1)NC12CC(C(=O)NCc3c[nH]cn3)(C1)C2	ZINC001270790000	775509797	/nfs/dbraw/zinc/50/97/97/775509797.db2.gz	ZAFLFXUMBWVDIP-UHFFFAOYSA-N	-1	1	316.325	-1.179	20	0		DAADMM
COCCN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)Cc1nn[n-]n1	ZINC001270788367	775509934	/nfs/dbraw/zinc/50/99/34/775509934.db2.gz	GLOITXQBKLAFSC-RNCFNFMXSA-N	-1	1	308.342	-1.162	20	0		DAADMM
CN(C)C(=O)[C@@H]1CCn2nccc2CN1C(=O)Cc1nn[n-]n1	ZINC001270788331	775510038	/nfs/dbraw/zinc/51/00/38/775510038.db2.gz	FCGIKTIENWKHLE-JTQLQIEISA-N	-1	1	318.341	-1.172	20	0		DAADMM
COc1ccc(CNCCNC(=O)Cn2c(=O)[n-][nH]c2=O)nn1	ZINC001149141479	775511135	/nfs/dbraw/zinc/51/11/35/775511135.db2.gz	PHSZABCQDNRASG-UHFFFAOYSA-N	-1	1	323.313	-1.606	20	0		DAADMM
C[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001088553832	775621034	/nfs/dbraw/zinc/62/10/34/775621034.db2.gz	CRRSYBIXWNRLIZ-BDAKNGLRSA-N	-1	1	320.357	-1.370	20	0		DAADMM
C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001088569709	775626046	/nfs/dbraw/zinc/62/60/46/775626046.db2.gz	GTTDMMDITIWUSD-BDAKNGLRSA-N	-1	1	321.345	-2.126	20	0		DAADMM
C[C@@H]1[C@@H](NC(=O)Cn2nccn2)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001088594299	775628855	/nfs/dbraw/zinc/62/88/55/775628855.db2.gz	AOAAWTRNYFLTEH-ZJUUUORDSA-N	-1	1	320.357	-1.521	20	0		DAADMM
C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001088919439	775735197	/nfs/dbraw/zinc/73/51/97/775735197.db2.gz	GJKBMZJEEVCRSC-BDAKNGLRSA-N	-1	1	320.357	-1.370	20	0		DAADMM
C[C@@H]1OCC[C@@H]1C(=O)N(CCO)CCNCc1n[nH]c(=O)[n-]1	ZINC001272284014	775740585	/nfs/dbraw/zinc/74/05/85/775740585.db2.gz	FJOLMKWYARWXIA-UWVGGRQHSA-N	-1	1	313.358	-1.154	20	0		DAADMM
NC(=O)c1ncn(CC(=O)NCCNCc2n[nH]c(=O)[n-]2)n1	ZINC001127652906	775820145	/nfs/dbraw/zinc/82/01/45/775820145.db2.gz	HBHOSTWITBNHIS-UHFFFAOYSA-N	-1	1	309.290	-2.893	20	0		DAADMM
COCC(=O)NC[C@]1(C)CN(Cc2nc(=O)n(C)[n-]2)CCO1	ZINC001107662756	775866244	/nfs/dbraw/zinc/86/62/44/775866244.db2.gz	HGGORTSCJLPCKK-CYBMUJFWSA-N	-1	1	313.358	-1.538	20	0		DAADMM
O=C(CNC(=O)c1ccncc1)NCCNCc1n[nH]c(=O)[n-]1	ZINC001127908102	775883951	/nfs/dbraw/zinc/88/39/51/775883951.db2.gz	LYTDTFULQTVDNM-UHFFFAOYSA-N	-1	1	319.325	-1.459	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)[C@H]3CC34CC4)[C@@H](O)C2)nc1=O	ZINC001083807253	775930689	/nfs/dbraw/zinc/93/06/89/775930689.db2.gz	FMTGZUCBNOZARX-BBBLOLIVSA-N	-1	1	307.354	-1.430	20	0		DAADMM
CCOCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001099645933	775936258	/nfs/dbraw/zinc/93/62/58/775936258.db2.gz	ZSRSSILAWVVYIP-VHSXEESVSA-N	-1	1	313.358	-1.804	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)C(F)F)[C@@H](O)C2)nc1=O	ZINC001089983016	775938461	/nfs/dbraw/zinc/93/84/61/775938461.db2.gz	FUCIWZKEYBEZMA-RQJHMYQMSA-N	-1	1	305.285	-1.575	20	0		DAADMM
O=C(Cc1cnc[nH]1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001083815086	775941806	/nfs/dbraw/zinc/94/18/06/775941806.db2.gz	HBONGXXURYSCBV-BDAKNGLRSA-N	-1	1	307.314	-1.863	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)C(C)(F)F)[C@H](O)C2)nc1=O	ZINC001089998699	775949594	/nfs/dbraw/zinc/94/95/94/775949594.db2.gz	XBDQATHCPVQRNF-HTQZYQBOSA-N	-1	1	319.312	-1.185	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)C3CCC3)[C@H](O)C2)nc1=O	ZINC001090002306	775949928	/nfs/dbraw/zinc/94/99/28/775949928.db2.gz	ONNCBPDCFFLEMM-WDEREUQCSA-N	-1	1	309.370	-1.040	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)C(C)(F)F)[C@H](O)C2)nc1=O	ZINC001089998701	775950598	/nfs/dbraw/zinc/95/05/98/775950598.db2.gz	XBDQATHCPVQRNF-JGVFFNPUSA-N	-1	1	319.312	-1.185	20	0		DAADMM
CNC(=O)CN(C)C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001117419201	775964221	/nfs/dbraw/zinc/96/42/21/775964221.db2.gz	MIHGCRRTXVHAII-UHFFFAOYSA-N	-1	1	304.310	-1.515	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3ccc[nH]3)[C@@H](O)C2)nc1=O	ZINC001090067394	775965026	/nfs/dbraw/zinc/96/50/26/775965026.db2.gz	DQGZRUJHAMJPSG-KOLCDFICSA-N	-1	1	320.353	-1.198	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3ccn[nH]3)[C@H](O)C2)nc1=O	ZINC001090104941	775977887	/nfs/dbraw/zinc/97/78/87/775977887.db2.gz	PTWRCNIMNZSQOO-WCBMZHEXSA-N	-1	1	321.341	-1.803	20	0		DAADMM
CCS(=O)(=O)NCC(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001128595376	775994938	/nfs/dbraw/zinc/99/49/38/775994938.db2.gz	ZZIKYIAEMRQOJI-UHFFFAOYSA-N	-1	1	306.348	-2.345	20	0		DAADMM
O=C(CCn1ccccc1=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001128715736	776013673	/nfs/dbraw/zinc/01/36/73/776013673.db2.gz	KPFNTJCNYRMHBB-UHFFFAOYSA-N	-1	1	306.326	-1.032	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3ncc[nH]3)[C@@H](O)C2)nc1=O	ZINC001090251353	776048922	/nfs/dbraw/zinc/04/89/22/776048922.db2.gz	JDYZHCOSOJJHMM-BDAKNGLRSA-N	-1	1	321.341	-1.803	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3cc[nH]c3)[C@@H](O)C2)nc1=O	ZINC001090279112	776076543	/nfs/dbraw/zinc/07/65/43/776076543.db2.gz	JHXZGCUCZOOHTA-MNOVXSKESA-N	-1	1	320.353	-1.198	20	0		DAADMM
Cc1nc(C)c(CC(=O)N[C@@H]2CN(CCO)C[C@@H]2O)c(=O)[nH]1	ZINC001084051427	776159302	/nfs/dbraw/zinc/15/93/02/776159302.db2.gz	LGSIYUXGPZLJSF-NEPJUHHUSA-N	-1	1	310.354	-1.505	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)c4nc[nH]n4)[C@@H]3C2)nc1=O	ZINC001084728511	776185954	/nfs/dbraw/zinc/18/59/54/776185954.db2.gz	KXLBBMLFANQABT-RKDXNWHRSA-N	-1	1	318.341	-1.427	20	0		DAADMM
O=C(N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1)[C@@H]1CNC(=O)N1	ZINC001085315797	776206491	/nfs/dbraw/zinc/20/64/91/776206491.db2.gz	KBJFPATUENPDBR-HLTSFMKQSA-N	-1	1	323.357	-1.291	20	0		DAADMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1cn(C)nn1	ZINC001085573253	776215298	/nfs/dbraw/zinc/21/52/98/776215298.db2.gz	RQUNNYHKPPDVPZ-VIFPVBQESA-N	-1	1	320.357	-1.417	20	0		DAADMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1ncn(C)n1	ZINC001085580584	776217035	/nfs/dbraw/zinc/21/70/35/776217035.db2.gz	QAQPXCREIZBPNN-SECBINFHSA-N	-1	1	320.357	-1.417	20	0		DAADMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1cnon1	ZINC001085885807	776231994	/nfs/dbraw/zinc/23/19/94/776231994.db2.gz	LRTTZMIZEXUIIN-QMMMGPOBSA-N	-1	1	307.314	-1.162	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001112604108	776351684	/nfs/dbraw/zinc/35/16/84/776351684.db2.gz	QRCXZQKGEMHRKS-SECBINFHSA-N	-1	1	310.358	-1.723	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001112604109	776351763	/nfs/dbraw/zinc/35/17/63/776351763.db2.gz	QRCXZQKGEMHRKS-VIFPVBQESA-N	-1	1	310.358	-1.723	20	0		DAADMM
CCC(=O)N[C@H](C)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001112875146	776381053	/nfs/dbraw/zinc/38/10/53/776381053.db2.gz	QWNQETXZZQQSBD-SNVBAGLBSA-N	-1	1	324.385	-1.333	20	0		DAADMM
COC[C@H](OC)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001113318461	776403186	/nfs/dbraw/zinc/40/31/86/776403186.db2.gz	WGVDOCNETXZHMI-JTQLQIEISA-N	-1	1	313.358	-1.586	20	0		DAADMM
Cn1ccnc1COCC(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001130039055	776491257	/nfs/dbraw/zinc/49/12/57/776491257.db2.gz	WWRWFFICRGKBIA-UHFFFAOYSA-N	-1	1	309.330	-1.334	20	0		DAADMM
COCCn1nccc1C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001130068759	776492623	/nfs/dbraw/zinc/49/26/23/776492623.db2.gz	UMVGDWGEDOOJMT-UHFFFAOYSA-N	-1	1	309.330	-1.127	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)c1ccnc2c1CC(=O)N2	ZINC001130819413	776536443	/nfs/dbraw/zinc/53/64/43/776536443.db2.gz	UFOHCZBUEYHHLJ-UHFFFAOYSA-N	-1	1	317.309	-1.081	20	0		DAADMM
Cc1nc([C@H](C)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n[nH]1	ZINC001130864553	776540847	/nfs/dbraw/zinc/54/08/47/776540847.db2.gz	CGCUYRBLSOGFRM-YFKPBYRVSA-N	-1	1	308.302	-1.210	20	0		DAADMM
O=C(CCN1C(=O)CCC1=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001130994598	776548344	/nfs/dbraw/zinc/54/83/44/776548344.db2.gz	JAOQUTGTVQPRCI-UHFFFAOYSA-N	-1	1	310.314	-1.745	20	0		DAADMM
COCCn1ccc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)n1	ZINC001131153601	776558355	/nfs/dbraw/zinc/55/83/55/776558355.db2.gz	QMIRQIABJFASRW-UHFFFAOYSA-N	-1	1	309.330	-1.127	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)[C@@H]1CCc2nncn2CC1	ZINC001131507944	776571107	/nfs/dbraw/zinc/57/11/07/776571107.db2.gz	DUFKPEDBVGSATG-SECBINFHSA-N	-1	1	320.357	-1.040	20	0		DAADMM
CC(=O)NCC(=O)N[C@@H]1CC[C@H](C)N(Cc2nc(=O)n(C)[n-]2)C1	ZINC001131746363	776584155	/nfs/dbraw/zinc/58/41/55/776584155.db2.gz	BZAFBMNTIPGISY-GXSJLCMTSA-N	-1	1	324.385	-1.286	20	0		DAADMM
Cn1nnc2c1C[C@H](C(=O)NCCNCc1n[nH]c(=O)[n-]1)CC2	ZINC001132921407	776645703	/nfs/dbraw/zinc/64/57/03/776645703.db2.gz	RTEUJVONJGZPLJ-MRVPVSSYSA-N	-1	1	320.357	-1.350	20	0		DAADMM
C[C@H](C[C@H](C)NC(=O)CS(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001133836162	776679677	/nfs/dbraw/zinc/67/96/77/776679677.db2.gz	PNUQNPFZJPJPQB-SFYZADRCSA-N	-1	1	319.387	-1.072	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)[C@H]1CCc2nnnn2CC1	ZINC001134098399	776691035	/nfs/dbraw/zinc/69/10/35/776691035.db2.gz	BVGLRGBTPNGRDS-QMMMGPOBSA-N	-1	1	321.345	-1.645	20	0		DAADMM
CCCN1C[C@@H](C(=O)NCCNCc2n[nH]c(=O)[n-]2)CC1=O	ZINC001134503764	776708285	/nfs/dbraw/zinc/70/82/85/776708285.db2.gz	VIBPFIDDHDBBSK-VIFPVBQESA-N	-1	1	310.358	-1.025	20	0		DAADMM
CCCN1C[C@H](C(=O)NCCNCc2n[nH]c(=O)[n-]2)CC1=O	ZINC001134503763	776709059	/nfs/dbraw/zinc/70/90/59/776709059.db2.gz	VIBPFIDDHDBBSK-SECBINFHSA-N	-1	1	310.358	-1.025	20	0		DAADMM
CC(=O)N[C@@H](CC(=O)NCCNCc1n[nH]c(=O)[n-]1)C(N)=O	ZINC001134829382	776722838	/nfs/dbraw/zinc/72/28/38/776722838.db2.gz	HVEZXZWCQIJEJY-ZETCQYMHSA-N	-1	1	313.318	-2.904	20	0		DAADMM
Cn1ncnc1CNCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001135387774	776754086	/nfs/dbraw/zinc/75/40/86/776754086.db2.gz	XHDKRDSDYVLKAC-UHFFFAOYSA-N	-1	1	321.341	-2.039	20	0		DAADMM
Cn1nnnc1CNCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001135387541	776754773	/nfs/dbraw/zinc/75/47/73/776754773.db2.gz	SCJTXRQTURGRJD-UHFFFAOYSA-N	-1	1	322.329	-2.644	20	0		DAADMM
O=C(N[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ncn[n-]1	ZINC001090658401	776811399	/nfs/dbraw/zinc/81/13/99/776811399.db2.gz	XVVNXAJUJKKKIL-RQJHMYQMSA-N	-1	1	308.302	-2.006	20	0		DAADMM
O=C(N[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ncn[n-]1	ZINC001090658401	776811409	/nfs/dbraw/zinc/81/14/09/776811409.db2.gz	XVVNXAJUJKKKIL-RQJHMYQMSA-N	-1	1	308.302	-2.006	20	0		DAADMM
O=C(Cc1nnc[nH]1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O	ZINC001090705578	776827498	/nfs/dbraw/zinc/82/74/98/776827498.db2.gz	FJZFPSDLXCFIMH-HTQZYQBOSA-N	-1	1	322.329	-2.078	20	0		DAADMM
O=C(Cc1nnc[nH]1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001090705582	776827931	/nfs/dbraw/zinc/82/79/31/776827931.db2.gz	FJZFPSDLXCFIMH-SFYZADRCSA-N	-1	1	322.329	-2.078	20	0		DAADMM
COCC[N@H+]1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](O)C1	ZINC001090754415	776835448	/nfs/dbraw/zinc/83/54/48/776835448.db2.gz	BTCDIODTSDUVPJ-IUCAKERBSA-N	-1	1	315.330	-2.113	20	0		DAADMM
COCC[N@H+]1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](O)C1	ZINC001090754412	776837009	/nfs/dbraw/zinc/83/70/09/776837009.db2.gz	BTCDIODTSDUVPJ-DTWKUNHWSA-N	-1	1	315.330	-2.113	20	0		DAADMM
CNC(=O)NCCC(=O)NCCNC(=O)c1ncccc1[O-]	ZINC001292662754	777939515	/nfs/dbraw/zinc/93/95/15/777939515.db2.gz	VUOFGBZLOUZGAO-UHFFFAOYSA-N	-1	1	309.326	-1.048	20	0		DAADMM
C[C@H](C(=O)NN1CC(=O)[N-]C1=O)S(=O)(=O)C1CCOCC1	ZINC001306328369	778100942	/nfs/dbraw/zinc/10/09/42/778100942.db2.gz	KYULUZADDMCOFP-SSDOTTSWSA-N	-1	1	319.339	-1.448	20	0		DAADMM
NS(=O)(=O)Cc1cccc(C(=O)NN2CC(=O)[N-]C2=O)c1	ZINC001306328375	778101047	/nfs/dbraw/zinc/10/10/47/778101047.db2.gz	LDYQFHHSDUZQES-UHFFFAOYSA-N	-1	1	312.307	-1.328	20	0		DAADMM
COCC(=O)N1CCN(c2nnc(-c3noc(=O)[n-]3)n2C)CC1	ZINC001122950975	779575989	/nfs/dbraw/zinc/57/59/89/779575989.db2.gz	QFNHNHBFYAVKPK-UHFFFAOYSA-N	-1	1	323.313	-1.547	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)N[C@H](C)[C@@H]1CN(C)CCN1C	ZINC001123566885	779584336	/nfs/dbraw/zinc/58/43/36/779584336.db2.gz	HIDZYAGTJDBKQS-MNOVXSKESA-N	-1	1	301.391	-1.012	20	0		DAADMM
CN1CC(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)C1	ZINC001142592234	779622768	/nfs/dbraw/zinc/62/27/68/779622768.db2.gz	ROISMKRYXIAMIB-UHFFFAOYSA-N	-1	1	318.315	-2.090	20	0		DAADMM
CC(C)(O)C(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC001142909628	779624571	/nfs/dbraw/zinc/62/45/71/779624571.db2.gz	FQOCLWYEEKZDQJ-VIFPVBQESA-N	-1	1	312.326	-1.201	20	0		DAADMM
CC(=O)N1C[C@H](O)C[C@H]1C(=O)N=c1ncnc2[nH][n-]c(C)c1-2	ZINC001143026497	779625524	/nfs/dbraw/zinc/62/55/24/779625524.db2.gz	CANCOZQSWZGCQV-BDAKNGLRSA-N	-1	1	304.310	-1.045	20	0		DAADMM
Cc1ccnc2nc(C(=O)NCCNCc3n[nH]c(=O)[n-]3)nn21	ZINC001149865556	779644972	/nfs/dbraw/zinc/64/49/72/779644972.db2.gz	BWVAOVGMYUIYHP-UHFFFAOYSA-N	-1	1	317.313	-1.224	20	0		DAADMM
O=C(CN1CCCCC(=O)C1=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001150811365	779666635	/nfs/dbraw/zinc/66/66/35/779666635.db2.gz	VLKNKSHTCAEKBP-SECBINFHSA-N	-1	1	322.325	-1.319	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)[C@H]1CCS(=O)(=O)N1	ZINC001151300722	779675582	/nfs/dbraw/zinc/67/55/82/779675582.db2.gz	ORBIJUMFXYBSDS-ZCFIWIBFSA-N	-1	1	304.332	-2.592	20	0		DAADMM
C[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)CCS1(=O)=O	ZINC001151754333	779683497	/nfs/dbraw/zinc/68/34/97/779683497.db2.gz	YFPZNWNSFJGJFB-SECBINFHSA-N	-1	1	315.351	-1.428	20	0		DAADMM
NC(=O)c1ccc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)cn1	ZINC001153528860	779705994	/nfs/dbraw/zinc/70/59/94/779705994.db2.gz	USZNEBJPPSCLRK-UHFFFAOYSA-N	-1	1	305.298	-1.476	20	0		DAADMM
CCN1CCN(CC(=O)NC2(c3nn[n-]n3)CCC2)C(=O)C1=O	ZINC001153872722	779712035	/nfs/dbraw/zinc/71/20/35/779712035.db2.gz	SWABDNHICPXVFX-UHFFFAOYSA-N	-1	1	321.341	-1.614	20	0		DAADMM
NC(=O)c1ccnc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)c1	ZINC001153929547	779715836	/nfs/dbraw/zinc/71/58/36/779715836.db2.gz	GIEWLEOEHPTTFM-UHFFFAOYSA-N	-1	1	305.298	-1.476	20	0		DAADMM
O=C(CC[C@H]1NC(=O)NC1=O)N1CCC[C@@H](Cc2nn[n-]n2)C1	ZINC001155127089	779729990	/nfs/dbraw/zinc/72/99/90/779729990.db2.gz	GWWGSCJKBKGJOJ-DTWKUNHWSA-N	-1	1	321.341	-1.031	20	0		DAADMM
Cc1n[nH]c(C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[n-]2)c1[O-]	ZINC001156620199	779741401	/nfs/dbraw/zinc/74/14/01/779741401.db2.gz	LQFRLJHNQKBDKV-UHFFFAOYSA-N	-1	1	309.330	-1.245	20	0		DAADMM
CCOC(=O)c1nc(CNC(=O)CN2CC(=O)N(C)C2=O)n[n-]1	ZINC001161164510	779829587	/nfs/dbraw/zinc/82/95/87/779829587.db2.gz	UIGGUMRBLPXERP-UHFFFAOYSA-N	-1	1	324.297	-1.508	20	0		DAADMM
CCOC(=O)c1n[n-]c(CNC(=O)CN2CC(=O)N(C)C2=O)n1	ZINC001161164510	779829593	/nfs/dbraw/zinc/82/95/93/779829593.db2.gz	UIGGUMRBLPXERP-UHFFFAOYSA-N	-1	1	324.297	-1.508	20	0		DAADMM
Cn1[n-]c(C[NH2+]CCCNC(=O)c2n[nH]c(=O)[n-]c2=O)nc1=O	ZINC001161872392	779846460	/nfs/dbraw/zinc/84/64/60/779846460.db2.gz	FEWDPXXKVVFHQL-UHFFFAOYSA-N	-1	1	324.301	-2.386	20	0		DAADMM
Cn1ncnc1CNCCCNC(=O)c1cnc([O-])n(C)c1=O	ZINC001163781368	779870963	/nfs/dbraw/zinc/87/09/63/779870963.db2.gz	FQPLZZJUMJVQST-UHFFFAOYSA-N	-1	1	321.341	-1.476	20	0		DAADMM
O=C(NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1)[C@H]1CNC(=O)N1	ZINC001166903829	779894306	/nfs/dbraw/zinc/89/43/06/779894306.db2.gz	XZPLKMORRZWQBS-MRVPVSSYSA-N	-1	1	323.357	-1.432	20	0		DAADMM
NS(=O)(=O)CCCCS(=O)(=O)[N-]CC(F)(F)CO	ZINC001211461605	779972010	/nfs/dbraw/zinc/97/20/10/779972010.db2.gz	JKPTXJTVBVVMAC-UHFFFAOYSA-N	-1	1	310.344	-1.398	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCO[C@@H]2CCOC2)c(=O)[nH]c1=O	ZINC001213826344	779984722	/nfs/dbraw/zinc/98/47/22/779984722.db2.gz	HAIQFGNODIBDML-MRVPVSSYSA-N	-1	1	319.339	-1.430	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCO[C@H]2CCOC2)c(=O)[nH]c1=O	ZINC001213826347	779985658	/nfs/dbraw/zinc/98/56/58/779985658.db2.gz	HAIQFGNODIBDML-QMMMGPOBSA-N	-1	1	319.339	-1.430	20	0		DAADMM
CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001214790875	780001662	/nfs/dbraw/zinc/00/16/62/780001662.db2.gz	YQFDGHJCFAYRKH-HTQZYQBOSA-N	-1	1	311.346	-1.624	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001215316875	780007081	/nfs/dbraw/zinc/00/70/81/780007081.db2.gz	OSOFGXCAUQFUMY-IWSPIJDZSA-N	-1	1	310.358	-1.042	20	0		DAADMM
CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)CC1	ZINC001215915631	780010053	/nfs/dbraw/zinc/01/00/53/780010053.db2.gz	KLPBUQATBTXGBB-RKDXNWHRSA-N	-1	1	322.369	-1.027	20	0		DAADMM
COC(=O)[C@H](CCO)Oc1[n-]c(=O)nc2c(=O)[nH]c(=O)[nH]c12	ZINC001218216021	780028585	/nfs/dbraw/zinc/02/85/85/780028585.db2.gz	DNNTTXDEFXOTJI-BYPYZUCNSA-N	-1	1	312.238	-1.161	20	0		DAADMM
CC(=O)NCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001219105130	780052471	/nfs/dbraw/zinc/05/24/71/780052471.db2.gz	QXHGXQBCATUGNP-BDAKNGLRSA-N	-1	1	312.330	-3.094	20	0		DAADMM
CS[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001219241784	780072124	/nfs/dbraw/zinc/07/21/24/780072124.db2.gz	CLAHVKNIZSCAPI-YIZRAAEISA-N	-1	1	315.399	-1.479	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)/C=C/C3CC3)[C@@H](O)C2)nc1=O	ZINC001219428398	780096886	/nfs/dbraw/zinc/09/68/86/780096886.db2.gz	MMEMBZOXNWGNJM-ZJRFNNFUSA-N	-1	1	307.354	-1.264	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C2)nc1=O	ZINC001219549217	780115575	/nfs/dbraw/zinc/11/55/75/780115575.db2.gz	PNWSXLFTRYOZRX-BDAKNGLRSA-N	-1	1	313.358	-2.069	20	0		DAADMM
O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(CCO)C[C@@H]1O	ZINC001219910413	780162178	/nfs/dbraw/zinc/16/21/78/780162178.db2.gz	BKAQENAQLMPDCE-BDAKNGLRSA-N	-1	1	315.330	-2.377	20	0		DAADMM
C[C@H]1[C@H](NC(=O)C[C@@H]2COCCN2)C(=O)N1S(=O)(=O)[O-]	ZINC001220101145	780178004	/nfs/dbraw/zinc/17/80/04/780178004.db2.gz	AEQURNJTKIAVHC-OOZYFLPDSA-N	-1	1	307.328	-2.117	20	0		DAADMM
C[C@H]1[C@H](NC(=O)[C@@H](N)CC(F)F)C(=O)N1S(=O)(=O)[O-]	ZINC001220101300	780178109	/nfs/dbraw/zinc/17/81/09/780178109.db2.gz	HMNARVCZNVKANJ-FKZODXBYSA-N	-1	1	301.271	-1.513	20	0		DAADMM
C[C@H]1[C@H](NC(=O)[C@@H](N)Cc2c[nH]cn2)C(=O)N1S(=O)(=O)[O-]	ZINC001220099534	780179058	/nfs/dbraw/zinc/17/90/58/780179058.db2.gz	QUVILOKKQZXYSA-GEVIPFJHSA-N	-1	1	317.327	-2.202	20	0		DAADMM
N[C@H](CN1CCC([NH3+])CC1)C(=O)NCCOP(=O)([O-])[O-]	ZINC001220220966	780190629	/nfs/dbraw/zinc/19/06/29/780190629.db2.gz	MEYVAIGRBHGGCD-SECBINFHSA-N	-1	1	310.291	-2.038	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)C3(C(N)=O)CC3)[C@@H](O)C2)nc1=O	ZINC001220246376	780195382	/nfs/dbraw/zinc/19/53/82/780195382.db2.gz	UFACBVIZVTXJMI-SFYZADRCSA-N	-1	1	324.341	-2.965	20	0		DAADMM
CC(C)(C)OC[C@H](N)C(=O)NCC(=O)NCc1n[nH]c(=O)[n-]1	ZINC001220251807	780197444	/nfs/dbraw/zinc/19/74/44/780197444.db2.gz	GAFGBANLNUAVMI-ZETCQYMHSA-N	-1	1	314.346	-1.615	20	0		DAADMM
N[C@@H](Cc1nnn[n-]1)C(=O)NCC(=O)NCc1ccc(F)cc1	ZINC001220939715	780262399	/nfs/dbraw/zinc/26/23/99/780262399.db2.gz	SOHGLAGYIPWIPI-JTQLQIEISA-N	-1	1	321.316	-1.359	20	0		DAADMM
CC(=O)NCC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001221232843	780284727	/nfs/dbraw/zinc/28/47/27/780284727.db2.gz	SIXHUKRNVWMANS-GHMZBOCLSA-N	-1	1	322.369	-1.723	20	0		DAADMM
NC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001224732340	780322810	/nfs/dbraw/zinc/32/28/10/780322810.db2.gz	LEMYZYVLNAIHOY-HTQZYQBOSA-N	-1	1	311.346	-1.304	20	0		DAADMM
O=C([O-])C[C@H](C(=O)OCCC[NH+]1CCOCC1)[C@@H](O)C(=O)[O-]	ZINC001224868328	780324291	/nfs/dbraw/zinc/32/42/91/780324291.db2.gz	SMHRNQLPTDWSHC-GXSJLCMTSA-N	-1	1	319.310	-1.212	20	0		DAADMM
O=C([O-])C[C@H](C(=O)OCCC[NH+]1CCOCC1)[C@H](O)C(=O)[O-]	ZINC001224868331	780324511	/nfs/dbraw/zinc/32/45/11/780324511.db2.gz	SMHRNQLPTDWSHC-ONGXEEELSA-N	-1	1	319.310	-1.212	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)NC1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001225910654	780329335	/nfs/dbraw/zinc/32/93/35/780329335.db2.gz	HQZLXEKFNOXUJZ-VIFPVBQESA-N	-1	1	324.385	-1.286	20	0		DAADMM
COC(=O)CN1C[C@@H](Oc2nc3c([n-]2)[nH]c(=O)[nH]c3=O)CC1=O	ZINC001227430197	780341454	/nfs/dbraw/zinc/34/14/54/780341454.db2.gz	JICKWSUUQGEXPT-YFKPBYRVSA-N	-1	1	323.265	-1.083	20	0		DAADMM
O=c1nc(O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])[n-]c(=O)[nH]1	ZINC001227571896	780342468	/nfs/dbraw/zinc/34/24/68/780342468.db2.gz	ZJPFWVSANKMSFC-JGWLITMVSA-N	-1	1	302.199	-1.595	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001230658675	780369515	/nfs/dbraw/zinc/36/95/15/780369515.db2.gz	DNNLNYXZFQQPCD-GXSJLCMTSA-N	-1	1	324.385	-1.334	20	0		DAADMM
CC(=O)N(C)CC(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001230819062	780375525	/nfs/dbraw/zinc/37/55/25/780375525.db2.gz	LBSWUNBHTQEWBQ-NSHDSACASA-N	-1	1	324.385	-1.381	20	0		DAADMM
O=C([O-])C[C@@H](C(=O)Oc1[nH+][nH]cc2nncc1-2)[C@@H](O)C(=O)[O-]	ZINC001230901789	780376290	/nfs/dbraw/zinc/37/62/90/780376290.db2.gz	UOPNDOSHEXIUSV-SPGJFGJESA-N	-1	1	310.222	-1.205	20	0		DAADMM
CN(C(=O)CCCCC(N)=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001277682721	780388439	/nfs/dbraw/zinc/38/84/39/780388439.db2.gz	VRFJKAHADHNCCK-UHFFFAOYSA-N	-1	1	324.385	-1.203	20	0		DAADMM
CNC(=O)CN1CC(N(C)C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001277670532	780389425	/nfs/dbraw/zinc/38/94/25/780389425.db2.gz	DQIRJONACWMACX-UHFFFAOYSA-N	-1	1	323.353	-2.185	20	0		DAADMM
CNC(=O)CC(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001233898262	780402038	/nfs/dbraw/zinc/40/20/38/780402038.db2.gz	POLPUQLTFVOCKN-SECBINFHSA-N	-1	1	310.358	-1.723	20	0		DAADMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)Cn1ncnn1	ZINC001234378352	780407346	/nfs/dbraw/zinc/40/73/46/780407346.db2.gz	QHVZVTHICDBCOX-VIFPVBQESA-N	-1	1	321.345	-2.172	20	0		DAADMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)C(C)(C)C(N)=O	ZINC001235616588	780418196	/nfs/dbraw/zinc/41/81/96/780418196.db2.gz	NHIDTKHLMIGJHI-VIFPVBQESA-N	-1	1	324.385	-1.347	20	0		DAADMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)C(C)(C)C(N)=O	ZINC001235616579	780419020	/nfs/dbraw/zinc/41/90/20/780419020.db2.gz	NHIDTKHLMIGJHI-SECBINFHSA-N	-1	1	324.385	-1.347	20	0		DAADMM
Cn1[n-]nnc1=NC(=O)C1=NO[C@@H]2CN(Cc3cnc[nH]3)C[C@H]12	ZINC001278346299	780444521	/nfs/dbraw/zinc/44/45/21/780444521.db2.gz	BNTNXCQRJGYFMS-DTWKUNHWSA-N	-1	1	317.313	-1.820	20	0		DAADMM
CCS(=O)(=O)NCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001251683465	780465659	/nfs/dbraw/zinc/46/56/59/780465659.db2.gz	PPRHMFSCVHJCHI-UHFFFAOYSA-N	-1	1	318.355	-2.018	20	0		DAADMM
CS(=O)(=O)[N-][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O	ZINC001252771905	780473129	/nfs/dbraw/zinc/47/31/29/780473129.db2.gz	AHBIBESTUIYHRK-ZOQUXTDFSA-N	-1	1	321.311	-2.883	20	0		DAADMM
CC(=O)N1CCC(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)CC1	ZINC001254415856	780486835	/nfs/dbraw/zinc/48/68/35/780486835.db2.gz	DZIJNDKRSBHRAR-XVKPBYJWSA-N	-1	1	305.356	-1.011	20	0		DAADMM
Cn1[n-]c(COC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)nc1=O	ZINC001254936967	780494356	/nfs/dbraw/zinc/49/43/56/780494356.db2.gz	YHRCGTPHSQRPGF-CYBMUJFWSA-N	-1	1	323.309	-1.128	20	0		DAADMM
CCOCCO[N-]C(=O)C(=O)NC[C@H]1CN(C)CCN1C	ZINC001258383660	780521648	/nfs/dbraw/zinc/52/16/48/780521648.db2.gz	OCJOWWSBSLULOU-NSHDSACASA-N	-1	1	302.375	-1.567	20	0		DAADMM
CNC(=O)CN(C)CCCNC(=O)c1c[n-]n2c1nccc2=O	ZINC001265935362	780614644	/nfs/dbraw/zinc/61/46/44/780614644.db2.gz	NTXFBSGSPKXLMD-UHFFFAOYSA-N	-1	1	320.353	-1.180	20	0		DAADMM
CN(CCOCCNCc1n[nH]c(=O)[n-]1)C(=O)c1ncn(C)n1	ZINC001279408470	780621651	/nfs/dbraw/zinc/62/16/51/780621651.db2.gz	CVYCALJPRFAOPO-UHFFFAOYSA-N	-1	1	324.345	-1.483	20	0		DAADMM
C[C@H](CNC(=O)C1(C(N)=O)CC1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001282449395	780710089	/nfs/dbraw/zinc/71/00/89/780710089.db2.gz	MGWRPUTUPAVDPN-MRVPVSSYSA-N	-1	1	310.358	-1.690	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NC1CN(C(=O)C2CC2)C1	ZINC001284923630	780847862	/nfs/dbraw/zinc/84/78/62/780847862.db2.gz	PTQADELGTQLHFX-UHFFFAOYSA-N	-1	1	306.322	-1.336	20	0		DAADMM
COCC(=O)N1CC[C@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001285877421	780894286	/nfs/dbraw/zinc/89/42/86/780894286.db2.gz	YIUWTZQFEAILSJ-JTQLQIEISA-N	-1	1	324.337	-1.710	20	0		DAADMM
COCC(=O)NCC1(NC(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC001285899456	780896828	/nfs/dbraw/zinc/89/68/28/780896828.db2.gz	HACZCYSNBUWNQG-UHFFFAOYSA-N	-1	1	324.337	-1.662	20	0		DAADMM
CC(=O)N1CC(CCO)(NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001285948083	780899744	/nfs/dbraw/zinc/89/97/44/780899744.db2.gz	OTNVTRSSBUPYQB-UHFFFAOYSA-N	-1	1	324.337	-1.974	20	0		DAADMM
Cc1[n-][nH]c2ncnc(=NC(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)c1-2	ZINC001146617110	781416816	/nfs/dbraw/zinc/41/68/16/781416816.db2.gz	RUZIVCRXFYMRQT-NQMVMOMDSA-N	-1	1	305.294	-1.614	20	0		DAADMM
Cn1[n-]c(CN2CCC3(CN(C(=O)CNC(N)=O)C3)C2)nc1=O	ZINC001146999763	781427124	/nfs/dbraw/zinc/42/71/24/781427124.db2.gz	NCFCSBDKKSEJPK-UHFFFAOYSA-N	-1	1	323.357	-2.189	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)c1cn([C@@H]2CCOC2)nn1	ZINC001147013755	781429794	/nfs/dbraw/zinc/42/97/94/781429794.db2.gz	FCSHGYDAQAZBLA-MRVPVSSYSA-N	-1	1	322.329	-1.417	20	0		DAADMM
CN(C)S(=O)(=O)CC(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001149431670	781446120	/nfs/dbraw/zinc/44/61/20/781446120.db2.gz	AATNBSLYEKXWAW-UHFFFAOYSA-N	-1	1	306.348	-2.393	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)[C@H]1CCc2n[nH]nc2C1	ZINC001147688290	781453927	/nfs/dbraw/zinc/45/39/27/781453927.db2.gz	KEMNQSMVVVPQCO-ZETCQYMHSA-N	-1	1	306.330	-1.361	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCNCc1ncnn1C	ZINC001147700126	781454668	/nfs/dbraw/zinc/45/46/68/781454668.db2.gz	VIVBZIPXUVYLGT-UHFFFAOYSA-N	-1	1	323.313	-1.456	20	0		DAADMM
O=C(NCCNCc1ncccn1)c1cc(=O)n2[n-]cnc2n1	ZINC001147712023	781455554	/nfs/dbraw/zinc/45/55/54/781455554.db2.gz	KKBRIQOTUXPVSP-UHFFFAOYSA-N	-1	1	314.309	-1.273	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCNCc1cnn(C)n1	ZINC001147700095	781456207	/nfs/dbraw/zinc/45/62/07/781456207.db2.gz	UKGPJUROOQMBKV-UHFFFAOYSA-N	-1	1	323.313	-1.456	20	0		DAADMM
CNS(=O)(=O)CCNC(=O)c1c(CO)cnc(C)c1[O-]	ZINC001147842529	781459080	/nfs/dbraw/zinc/45/90/80/781459080.db2.gz	BXWWJVRZSQJSEI-UHFFFAOYSA-N	-1	1	303.340	-1.133	20	0		DAADMM
O=C(NCC[NH2+]CCO)c1cc(S(=O)(=O)[O-])ccc1[O-]	ZINC001148927849	781479723	/nfs/dbraw/zinc/47/97/23/781479723.db2.gz	UZVTXYCKLHZDIZ-UHFFFAOYSA-N	-1	1	304.324	-1.049	20	0		DAADMM
COCC(=O)NC[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CCCO1	ZINC001148941688	781480448	/nfs/dbraw/zinc/48/04/48/781480448.db2.gz	VNQZFIFPTNQVQB-JTQLQIEISA-N	-1	1	313.358	-1.538	20	0		DAADMM
C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001092971002	781505390	/nfs/dbraw/zinc/50/53/90/781505390.db2.gz	QITCUTIRYCFZEM-KYXWUPHJSA-N	-1	1	322.369	-1.184	20	0		DAADMM
CC(=O)N[C@@H]1CC(=O)N(C2CN(Cc3nc(=O)n(C)[n-]3)C2)C1	ZINC001094687904	781555861	/nfs/dbraw/zinc/55/58/61/781555861.db2.gz	SVBKISQXOJNCFD-SECBINFHSA-N	-1	1	308.342	-1.970	20	0		DAADMM
O=C(C[C@@H]1NC(=O)NC1=O)N1CC(C[N-]C(=O)C(F)(F)F)C1	ZINC001175387879	781604908	/nfs/dbraw/zinc/60/49/08/781604908.db2.gz	CMTMGRIHYABQOZ-LURJTMIESA-N	-1	1	322.243	-1.279	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1	ZINC001176840891	781623349	/nfs/dbraw/zinc/62/33/49/781623349.db2.gz	YCZRWVYMKJZCCA-ZJUUUORDSA-N	-1	1	316.325	-1.352	20	0		DAADMM
COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)Cc1nn[n-]n1	ZINC001176840815	781623427	/nfs/dbraw/zinc/62/34/27/781623427.db2.gz	NYAUKUNFHMQQFY-SVGQVSJJSA-N	-1	1	315.311	-1.642	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC001176843016	781623625	/nfs/dbraw/zinc/62/36/25/781623625.db2.gz	ZCBYPPUSOCNNBU-UHFFFAOYSA-N	-1	1	323.357	-1.225	20	0		DAADMM
CS(=O)(=O)N1CCC(CNC(=O)Cc2nn[n-]n2)CC1	ZINC001176846950	781624911	/nfs/dbraw/zinc/62/49/11/781624911.db2.gz	CALCKBVQCMGCRO-UHFFFAOYSA-N	-1	1	302.360	-1.470	20	0		DAADMM
O=C(Cc1nn[n-]n1)NCCCN1CCS(=O)(=O)CC1	ZINC001176847284	781625468	/nfs/dbraw/zinc/62/54/68/781625468.db2.gz	OXIMZIHIFGVATG-UHFFFAOYSA-N	-1	1	302.360	-2.021	20	0		DAADMM
Cc1nc(CC(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n[nH]1	ZINC001177441736	781635590	/nfs/dbraw/zinc/63/55/90/781635590.db2.gz	ZCWIQWKCXNMZLB-NVNXEXLPSA-N	-1	1	303.300	-1.826	20	0		DAADMM
O=C(Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21)[C@H]1CSCC(=O)N1	ZINC001180552920	781673625	/nfs/dbraw/zinc/67/36/25/781673625.db2.gz	FRYDUQSCWPEBEY-GSVOUGTGSA-N	-1	1	310.295	-1.114	20	0		DAADMM
COCCN1C[C@@H](C(=O)Nc2c(N)[nH]c(=O)[n-]c2=O)CC1=O	ZINC001180888475	781678304	/nfs/dbraw/zinc/67/83/04/781678304.db2.gz	PWUBHBWBMGOWNL-LURJTMIESA-N	-1	1	311.298	-1.097	20	0		DAADMM
Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CNC(N)=O)C3)nc1=O	ZINC001110275839	781703909	/nfs/dbraw/zinc/70/39/09/781703909.db2.gz	ZDUPFKVLMVXETR-HLTSFMKQSA-N	-1	1	323.357	-2.002	20	0		DAADMM
CCOC(=O)c1cnc(NC(=O)C[C@@H]2NC(=O)CNC2=O)[n-]1	ZINC001183714724	781731488	/nfs/dbraw/zinc/73/14/88/781731488.db2.gz	WDXJBMYWVOJFJW-LURJTMIESA-N	-1	1	309.282	-1.470	20	0		DAADMM
CCOC(=O)c1c[n-]c(NC(=O)C[C@@H]2NC(=O)CNC2=O)n1	ZINC001183714724	781731496	/nfs/dbraw/zinc/73/14/96/781731496.db2.gz	WDXJBMYWVOJFJW-LURJTMIESA-N	-1	1	309.282	-1.470	20	0		DAADMM
O=C(C[C@@H]1NC(=O)CNC1=O)Nc1[n-]c(=O)nc2nc[nH]c21	ZINC001183732150	781735015	/nfs/dbraw/zinc/73/50/15/781735015.db2.gz	UCFWUUYWPLZQQG-BYPYZUCNSA-N	-1	1	305.254	-1.998	20	0		DAADMM
CNC(=O)C1(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)CC1	ZINC001186328581	781776246	/nfs/dbraw/zinc/77/62/46/781776246.db2.gz	BOEHKIIACYWQIA-MRVPVSSYSA-N	-1	1	308.342	-1.273	20	0		DAADMM
C[C@H]([N-]S(=O)(=O)c1nccs1)C(=O)N[C@@H](C)C(N)=O	ZINC001187923463	781809981	/nfs/dbraw/zinc/80/99/81/781809981.db2.gz	QPBJXMPIRLKKOP-WDSKDSINSA-N	-1	1	306.369	-1.200	20	0		DAADMM
CC(=O)NCC(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001188684073	781822150	/nfs/dbraw/zinc/82/21/50/781822150.db2.gz	IOPZGJHKTJHIQV-JTQLQIEISA-N	-1	1	310.358	-1.723	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001188748131	781823380	/nfs/dbraw/zinc/82/33/80/781823380.db2.gz	ZJVHMYDDYUZIJD-GXSJLCMTSA-N	-1	1	324.385	-1.334	20	0		DAADMM
CC(=O)N(C)CC(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001188983279	781832555	/nfs/dbraw/zinc/83/25/55/781832555.db2.gz	QPSVBDZIOGKTLJ-NSHDSACASA-N	-1	1	324.385	-1.381	20	0		DAADMM
CSCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001190952950	781893997	/nfs/dbraw/zinc/89/39/97/781893997.db2.gz	UOTHFJJLQMHKMB-RKDXNWHRSA-N	-1	1	315.399	-1.477	20	0		DAADMM
CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001191248130	781904894	/nfs/dbraw/zinc/90/48/94/781904894.db2.gz	ZOGPFCKSBOFOKU-IVZWLZJFSA-N	-1	1	313.358	-1.805	20	0		DAADMM
CON(C)C(=O)C[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C	ZINC001191492375	781912309	/nfs/dbraw/zinc/91/23/09/781912309.db2.gz	XANUOJSPAKHBPD-KRWDZBQOSA-N	-1	1	302.378	-1.585	20	0		DAADMM
C[C@H](CNC(=O)c1cn(C)c(=O)n1C)NCc1n[nH]c(=O)[n-]1	ZINC001376882996	921743579	/nfs/dbraw/zinc/74/35/79/921743579.db2.gz	HKUCLTVKDBWCIQ-SSDOTTSWSA-N	-1	1	309.330	-1.544	20	0		DAADMM
CN(CCNC(=O)C[C@@H]1CCN(C)C1=O)Cc1nc(=O)n(C)[n-]1	ZINC001377171266	921776115	/nfs/dbraw/zinc/77/61/15/921776115.db2.gz	JXPWDYPQCGGBSV-JTQLQIEISA-N	-1	1	324.385	-1.475	20	0		DAADMM
O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC[C@@](CO)(NCCF)C1	ZINC001377165838	921777830	/nfs/dbraw/zinc/77/78/30/921777830.db2.gz	UKLPJNUFXZAMFI-GFCCVEGCSA-N	-1	1	315.305	-1.191	20	0		DAADMM
Cc1ccnn1CC(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001377222509	921788361	/nfs/dbraw/zinc/78/83/61/921788361.db2.gz	CDHCCFUMQRIYRB-UHFFFAOYSA-N	-1	1	307.358	-1.138	20	0		DAADMM
CCC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001377243731	921790187	/nfs/dbraw/zinc/79/01/87/921790187.db2.gz	ANWLDSWGWLPSOU-BDAKNGLRSA-N	-1	1	310.358	-1.027	20	0		DAADMM
CCC(=O)NCC(=O)N1C[C@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001377243732	921790911	/nfs/dbraw/zinc/79/09/11/921790911.db2.gz	ANWLDSWGWLPSOU-DTWKUNHWSA-N	-1	1	310.358	-1.027	20	0		DAADMM
CCCn1cc(C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)nn1	ZINC001377239936	921793008	/nfs/dbraw/zinc/79/30/08/921793008.db2.gz	JHXRGHYQJXIJKC-UHFFFAOYSA-N	-1	1	322.373	-1.028	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3ccon3)[C@H](O)C2)nc1=O	ZINC001090097217	916109156	/nfs/dbraw/zinc/10/91/56/916109156.db2.gz	WILCEZPOCYCRHT-PSASIEDQSA-N	-1	1	322.325	-1.538	20	0		DAADMM
O=C(N[C@H]1CCN(CCO)C[C@H]1O)c1c[n-]n2c1nccc2=O	ZINC001090628514	916110775	/nfs/dbraw/zinc/11/07/75/916110775.db2.gz	AOYHULLYDYHHBD-WDEREUQCSA-N	-1	1	321.337	-1.820	20	0		DAADMM
O=C([C@H]1[C@@H]2COC[C@@H]21)N(CCO)CCNCc1n[nH]c(=O)[n-]1	ZINC001279801039	916195820	/nfs/dbraw/zinc/19/58/20/916195820.db2.gz	QORDQBTUXLYYFA-JZYVYDRUSA-N	-1	1	311.342	-1.687	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCCn2cncn2)c(=O)[nH]c1=O	ZINC001309730502	916204219	/nfs/dbraw/zinc/20/42/19/916204219.db2.gz	XOGVAEAKNOSPBQ-UHFFFAOYSA-N	-1	1	314.327	-1.554	20	0		DAADMM
COC(=O)/C=C/[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001309958743	916207247	/nfs/dbraw/zinc/20/72/47/916207247.db2.gz	FKFTYOPBWSUHFF-SMMXGFFBSA-N	-1	1	317.323	-1.118	20	0		DAADMM
CNC(=O)Cn1nc(NC(=O)NN2CC(=O)[N-]C2=O)cc1C	ZINC001310505304	916207411	/nfs/dbraw/zinc/20/74/11/916207411.db2.gz	SVZADOBWTHKXFC-UHFFFAOYSA-N	-1	1	309.286	-1.474	20	0		DAADMM
CCNC(=O)CC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001318248318	916382952	/nfs/dbraw/zinc/38/29/52/916382952.db2.gz	RLDDMHYJTCHCAZ-VIFPVBQESA-N	-1	1	310.358	-1.675	20	0		DAADMM
CN(C(=O)CCn1cc[n-]c(=O)c1=O)[C@H]1CCS(=O)(=O)C1	ZINC001318451381	916397387	/nfs/dbraw/zinc/39/73/87/916397387.db2.gz	LPDGIPZQADELJG-VIFPVBQESA-N	-1	1	315.351	-1.428	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCC(=O)NCCOC)o1	ZINC001318702487	916407163	/nfs/dbraw/zinc/40/71/63/916407163.db2.gz	KOCSLBMPGRTDOX-UHFFFAOYSA-N	-1	1	319.339	-1.320	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCc1nnnn1C1CC1	ZINC001318871242	916411124	/nfs/dbraw/zinc/41/11/24/916411124.db2.gz	KKCORLVCIBLGGB-UHFFFAOYSA-N	-1	1	305.298	-1.436	20	0		DAADMM
NC(=O)[C@@H]1CC[C@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)O1	ZINC001319110714	916419921	/nfs/dbraw/zinc/41/99/21/916419921.db2.gz	JAKVKLZVOCCIHH-BDAKNGLRSA-N	-1	1	310.310	-1.924	20	0		DAADMM
CCN(CCS(C)(=O)=O)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001319460112	916437370	/nfs/dbraw/zinc/43/73/70/916437370.db2.gz	WXHLVAYIQNLTKW-UHFFFAOYSA-N	-1	1	317.367	-1.180	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC(=O)NC2=O)co1	ZINC001319504005	916440071	/nfs/dbraw/zinc/44/00/71/916440071.db2.gz	SERIJYPBYFSNGA-SSDOTTSWSA-N	-1	1	315.307	-1.277	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC(=O)NC2=O)co1	ZINC001319504012	916440459	/nfs/dbraw/zinc/44/04/59/916440459.db2.gz	SERIJYPBYFSNGA-ZETCQYMHSA-N	-1	1	315.307	-1.277	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCC(=O)NC2=O)o1	ZINC001319926420	916458381	/nfs/dbraw/zinc/45/83/81/916458381.db2.gz	DHBAOGQJXIQASY-LURJTMIESA-N	-1	1	315.307	-1.277	20	0		DAADMM
COCCNC(=O)CN1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001320161603	916470418	/nfs/dbraw/zinc/47/04/18/916470418.db2.gz	JHNWJVBAOUNSDU-UHFFFAOYSA-N	-1	1	312.374	-2.011	20	0		DAADMM
COCCO[N-]C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	ZINC001321034296	916541119	/nfs/dbraw/zinc/54/11/19/916541119.db2.gz	BEUDYYJDNONCOB-NXEZZACHSA-N	-1	1	320.367	-1.284	20	0		DAADMM
CS(=O)(=O)[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001321706087	916588897	/nfs/dbraw/zinc/58/88/97/916588897.db2.gz	NLCKZACUFGFFML-VIFPVBQESA-N	-1	1	315.351	-1.428	20	0		DAADMM
C[C@@H](CCS(C)(=O)=O)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001322589535	916648692	/nfs/dbraw/zinc/64/86/92/916648692.db2.gz	VFMXFRHSUWDTPJ-VIFPVBQESA-N	-1	1	317.367	-1.134	20	0		DAADMM
CCNC(=O)[C@@H](C)NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001322953601	916682308	/nfs/dbraw/zinc/68/23/08/916682308.db2.gz	DCMLHSVKRTTZQI-MRVPVSSYSA-N	-1	1	318.337	-1.079	20	0		DAADMM
COC[C@@H](CCO)NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001322994698	916684736	/nfs/dbraw/zinc/68/47/36/916684736.db2.gz	VWKRMHNJJUIVJK-SECBINFHSA-N	-1	1	321.337	-1.206	20	0		DAADMM
NC(=O)C(=O)N[C@@H](CNCc1cc(=O)n2[n-]ccc2n1)C1CC1	ZINC001323068993	916692537	/nfs/dbraw/zinc/69/25/37/916692537.db2.gz	YOXOQSUGLGBFJU-JTQLQIEISA-N	-1	1	318.337	-1.508	20	0		DAADMM
NC(=O)CN1CC[C@@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001323321480	916711414	/nfs/dbraw/zinc/71/14/14/916711414.db2.gz	ZPANMAVCPMCUMP-SECBINFHSA-N	-1	1	309.326	-2.398	20	0		DAADMM
C[C@H](C(N)=O)N1CC(N(C)C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001323995627	916762910	/nfs/dbraw/zinc/76/29/10/916762910.db2.gz	ZMHYLGVIYGBGSJ-SECBINFHSA-N	-1	1	323.353	-2.057	20	0		DAADMM
Cn1cc(/C=C/c2cc(=O)n3[n-]cnc3n2)c(=O)n(C)c1=O	ZINC001324706852	916793835	/nfs/dbraw/zinc/79/38/35/916793835.db2.gz	LXMNGCMTDNXLMN-ONEGZZNKSA-N	-1	1	300.278	-1.015	20	0		DAADMM
COCC[C@H](CO)NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001324893287	916801595	/nfs/dbraw/zinc/80/15/95/916801595.db2.gz	OHDIVLQMHOVSQH-SECBINFHSA-N	-1	1	321.337	-1.206	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCC(=O)NCC(F)F	ZINC001325063644	916807967	/nfs/dbraw/zinc/80/79/67/916807967.db2.gz	HAEYNDXNJJUNNT-UHFFFAOYSA-N	-1	1	304.253	-1.576	20	0		DAADMM
COCCCS(=O)(=O)NCC(=O)NN1CC(=O)[N-]C1=O	ZINC001325201765	916830024	/nfs/dbraw/zinc/83/00/24/916830024.db2.gz	DLRZYBMEHXILML-UHFFFAOYSA-N	-1	1	308.316	-2.475	20	0		DAADMM
O=C([C@H]1CCCCO1)N(CCO)CCNCc1n[nH]c(=O)[n-]1	ZINC001326009422	916883166	/nfs/dbraw/zinc/88/31/66/916883166.db2.gz	PCGXCBGGTZVGNX-SNVBAGLBSA-N	-1	1	313.358	-1.010	20	0		DAADMM
COCCN1CC[C@H](NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)C1	ZINC001326493653	916923932	/nfs/dbraw/zinc/92/39/32/916923932.db2.gz	UKHMKBKYIZJQGF-NEPJUHHUSA-N	-1	1	315.370	-1.092	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)C(=O)N[C@H](C)Cc1cc(C)[nH]n1	ZINC001326643499	916941335	/nfs/dbraw/zinc/94/13/35/916941335.db2.gz	AJXQSPWWFQUGHV-MRVPVSSYSA-N	-1	1	311.342	-1.051	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)C(=O)N(CC)[C@H]1CCN(C)C1	ZINC001329111594	917141765	/nfs/dbraw/zinc/14/17/65/917141765.db2.gz	CGBIACNWAYGOGB-JTQLQIEISA-N	-1	1	300.359	-1.277	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CC[C@H](N2CCOC2=O)C1	ZINC001329384505	917163911	/nfs/dbraw/zinc/16/39/11/917163911.db2.gz	XFTSEBYGPDGCLL-JTQLQIEISA-N	-1	1	322.321	-1.020	20	0		DAADMM
CNC(=O)C1(C(=O)NC[C@H](C)N(C)Cc2nc(=O)n(C)[n-]2)CC1	ZINC001329576910	917181639	/nfs/dbraw/zinc/18/16/39/917181639.db2.gz	SIDOBHPTLZVPCF-VIFPVBQESA-N	-1	1	324.385	-1.429	20	0		DAADMM
COC(=O)[C@@]1(NC(=O)CCn2cc[n-]c(=O)c2=O)CCOC1	ZINC001332026448	917351056	/nfs/dbraw/zinc/35/10/56/917351056.db2.gz	KHPDUUOWJCPUMH-CYBMUJFWSA-N	-1	1	311.294	-1.625	20	0		DAADMM
CO[N-]C(=O)CNC(=O)C(=O)NC[C@@H]1CCCCN1C1CC1	ZINC001334279590	917481188	/nfs/dbraw/zinc/48/11/88/917481188.db2.gz	MEGZJMDIHOIYAS-NSHDSACASA-N	-1	1	312.370	-1.087	20	0		DAADMM
COC[C@@H]1CNCCN1C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001336937081	917605778	/nfs/dbraw/zinc/60/57/78/917605778.db2.gz	VZTOPSQZPVVSLL-QWRGUYRKSA-N	-1	1	313.354	-1.244	20	0		DAADMM
COC[C@H]1CNCCN1C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001336937078	917607255	/nfs/dbraw/zinc/60/72/55/917607255.db2.gz	VZTOPSQZPVVSLL-MNOVXSKESA-N	-1	1	313.354	-1.244	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCC(=O)N1CCOCC1	ZINC001337290789	917615152	/nfs/dbraw/zinc/61/51/52/917615152.db2.gz	CLTVEOMDRFQPFO-UHFFFAOYSA-N	-1	1	310.310	-2.098	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)C(=O)NC3CC3)CC2)nc1=O	ZINC001337398011	917618327	/nfs/dbraw/zinc/61/83/27/917618327.db2.gz	DEYYDFOUIWOQIA-UHFFFAOYSA-N	-1	1	308.342	-1.969	20	0		DAADMM
CCCN1CCCN(C(=O)[C@@]2(C(=O)[O-])CNCCO2)CC1=O	ZINC001340280845	917733841	/nfs/dbraw/zinc/73/38/41/917733841.db2.gz	CRDQIHYIGYSTIX-CQSZACIVSA-N	-1	1	313.354	-1.100	20	0		DAADMM
C[C@@H](CN1CCOCC1)N(C)C(=O)[C@]1(C(=O)[O-])CNCCO1	ZINC001343879896	917814669	/nfs/dbraw/zinc/81/46/69/917814669.db2.gz	RQLIBZZJTQEDMT-FZMZJTMJSA-N	-1	1	315.370	-1.391	20	0		DAADMM
COCCN(C)CCNC(=O)C(=O)[N-]OC1CCOCC1	ZINC001345577392	917848575	/nfs/dbraw/zinc/84/85/75/917848575.db2.gz	KWTMLVKOVOKCCY-UHFFFAOYSA-N	-1	1	303.359	-1.092	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc(=O)n(CCO)c1	ZINC001346082268	917868026	/nfs/dbraw/zinc/86/80/26/917868026.db2.gz	NOXJDPHLJIUNSG-UHFFFAOYSA-N	-1	1	320.305	-1.281	20	0		DAADMM
CCN(CC)C(=O)CN(C)C(=O)[C@@]1(C(=O)[O-])CNCCO1	ZINC001346069273	917868585	/nfs/dbraw/zinc/86/85/85/917868585.db2.gz	SVRRLKVKSPODRQ-CYBMUJFWSA-N	-1	1	301.343	-1.244	20	0		DAADMM
CCN(CC)C(=O)CN(C)C(=O)[C@]1(C(=O)[O-])CNCCO1	ZINC001346069274	917868927	/nfs/dbraw/zinc/86/89/27/917868927.db2.gz	SVRRLKVKSPODRQ-ZDUSSCGKSA-N	-1	1	301.343	-1.244	20	0		DAADMM
Cn1c(-c2noc(=O)[n-]2)nnc1N1CCS(=O)(=O)CC1	ZINC001346187142	917874620	/nfs/dbraw/zinc/87/46/20/917874620.db2.gz	LILDQBGMYFAYHA-UHFFFAOYSA-N	-1	1	300.300	-1.607	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCC[C@]1(O)CCCOC1	ZINC001346304597	917882978	/nfs/dbraw/zinc/88/29/78/917882978.db2.gz	BRMOMBWTJLEVDY-CQSZACIVSA-N	-1	1	311.338	-1.026	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCC[C@@]1(O)CCCOC1	ZINC001346304587	917884133	/nfs/dbraw/zinc/88/41/33/917884133.db2.gz	BRMOMBWTJLEVDY-AWEZNQCLSA-N	-1	1	311.338	-1.026	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCN(CCOC)C1	ZINC001346364043	917886434	/nfs/dbraw/zinc/88/64/34/917886434.db2.gz	XPRNJVBQKQBUMW-JTQLQIEISA-N	-1	1	316.358	-1.993	20	0		DAADMM
CN1CC[C@H](NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1=O	ZINC001346494809	917887807	/nfs/dbraw/zinc/88/78/07/917887807.db2.gz	WWXHSZJSETWSPK-JTQLQIEISA-N	-1	1	316.321	-1.373	20	0		DAADMM
CN(C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)[C@@H]1CCNC1=O	ZINC001346544992	917891092	/nfs/dbraw/zinc/89/10/92/917891092.db2.gz	YLVHYYLFMKAPTK-SNVBAGLBSA-N	-1	1	316.321	-1.373	20	0		DAADMM
CC[C@@H](OC)C(=O)NCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001348606017	917955993	/nfs/dbraw/zinc/95/59/93/917955993.db2.gz	FKYBWXZOWIVCGZ-SECBINFHSA-N	-1	1	322.325	-1.311	20	0		DAADMM
C[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)NC(=O)C1CC1	ZINC001354553850	918182054	/nfs/dbraw/zinc/18/20/54/918182054.db2.gz	CQQUQNWACHADLI-VIFPVBQESA-N	-1	1	308.338	-1.042	20	0		DAADMM
C[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)NC(=O)C1CC1	ZINC001354553848	918182893	/nfs/dbraw/zinc/18/28/93/918182893.db2.gz	CQQUQNWACHADLI-SECBINFHSA-N	-1	1	308.338	-1.042	20	0		DAADMM
COC[C@@H]1CN(C(=O)[C@]2(C(=O)[O-])CNCCO2)C[C@@H](C)O1	ZINC001357545249	918297519	/nfs/dbraw/zinc/29/75/19/918297519.db2.gz	KPEZOGKOWGWYIG-NRUUGDAUSA-N	-1	1	302.327	-1.308	20	0		DAADMM
COC[C@@H]1CN(C(=O)[C@@]2(C(=O)[O-])CNCCO2)C[C@H](C)O1	ZINC001357545251	918297749	/nfs/dbraw/zinc/29/77/49/918297749.db2.gz	KPEZOGKOWGWYIG-OUJBWJOFSA-N	-1	1	302.327	-1.308	20	0		DAADMM
COC[C@@H]1CN(C(=O)[C@@]2(C(=O)[O-])CNCCO2)C[C@@H](C)O1	ZINC001357545231	918299418	/nfs/dbraw/zinc/29/94/18/918299418.db2.gz	KPEZOGKOWGWYIG-GBIKHYSHSA-N	-1	1	302.327	-1.308	20	0		DAADMM
CN(CC(=O)N(C)c1nn[n-]n1)S(=O)(=O)c1cccnc1	ZINC001361564988	918380985	/nfs/dbraw/zinc/38/09/85/918380985.db2.gz	CPFBHXFLDSGYLU-UHFFFAOYSA-N	-1	1	311.327	-1.122	20	0		DAADMM
CC(C)(CNC(=O)CCCc1nn[n-]n1)NS(C)(=O)=O	ZINC001361798430	918406256	/nfs/dbraw/zinc/40/62/56/918406256.db2.gz	YKKLFEDJIHBVJQ-UHFFFAOYSA-N	-1	1	304.376	-1.034	20	0		DAADMM
COCCN(C(=O)CCc1nn[n-]n1)[C@H]1CCS(=O)(=O)C1	ZINC001361806780	918409569	/nfs/dbraw/zinc/40/95/69/918409569.db2.gz	FUUZLXBZPQQFAH-VIFPVBQESA-N	-1	1	317.371	-1.206	20	0		DAADMM
CS(=O)(=O)CCNC(=O)CNC(=O)c1ncccc1[O-]	ZINC001361883333	918420164	/nfs/dbraw/zinc/42/01/64/918420164.db2.gz	DFERXUTYMKLOOK-UHFFFAOYSA-N	-1	1	301.324	-1.322	20	0		DAADMM
CN(C(=O)c1cc2n(n1)CCN(C)S2(=O)=O)c1nn[n-]n1	ZINC001361907888	918422828	/nfs/dbraw/zinc/42/28/28/918422828.db2.gz	UKFJZRBOGLBZNV-UHFFFAOYSA-N	-1	1	312.315	-1.693	20	0		DAADMM
O=C([C@@H]1CCc2nncn2C1)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001361930432	918428181	/nfs/dbraw/zinc/42/81/81/918428181.db2.gz	XUSKKJBFLITPPK-RKDXNWHRSA-N	-1	1	304.314	-1.046	20	0		DAADMM
NS(=O)(=O)C1CCN(C(=O)CCCc2nn[n-]n2)CC1	ZINC001362035760	918441768	/nfs/dbraw/zinc/44/17/68/918441768.db2.gz	ONNMMVQCPGRGNR-UHFFFAOYSA-N	-1	1	302.360	-1.198	20	0		DAADMM
C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CCc2nn[n-]n2)CC1	ZINC001362036202	918442532	/nfs/dbraw/zinc/44/25/32/918442532.db2.gz	XARRURQOLQZSOK-JTQLQIEISA-N	-1	1	321.385	-1.056	20	0		DAADMM
CN(C)CC(=O)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1	ZINC001362037228	918443639	/nfs/dbraw/zinc/44/36/39/918443639.db2.gz	GGBYMOFITODBOV-UHFFFAOYSA-N	-1	1	312.330	-2.078	20	0		DAADMM
CCS(=O)(=O)N(C)CC(=O)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001362093494	918455395	/nfs/dbraw/zinc/45/53/95/918455395.db2.gz	YMFPHLPEDJDXOT-QMMMGPOBSA-N	-1	1	318.359	-1.619	20	0		DAADMM
O=C(CS(=O)(=O)C1CC1)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001362124681	918461113	/nfs/dbraw/zinc/46/11/13/918461113.db2.gz	NVDCXFKLKFWEHG-MRVPVSSYSA-N	-1	1	301.328	-1.323	20	0		DAADMM
CCN1C(=O)CO[C@H](C(=O)Nc2nn[n-]n2)[C@H]1c1nccn1C	ZINC001362136569	918463157	/nfs/dbraw/zinc/46/31/57/918463157.db2.gz	BYPZXNKDOVQFDT-IUCAKERBSA-N	-1	1	320.313	-1.140	20	0		DAADMM
O=C(CCCc1nn[n-]n1)N1CCN(CCn2cncn2)CC1	ZINC001362170802	918471368	/nfs/dbraw/zinc/47/13/68/918471368.db2.gz	DACISSLHPFUPTE-UHFFFAOYSA-N	-1	1	319.373	-1.042	20	0		DAADMM
CS(=O)(=O)N1CC[C@@H](CNC(=O)CCc2nn[n-]n2)C1	ZINC001362225195	918480958	/nfs/dbraw/zinc/48/09/58/918480958.db2.gz	OEJBIILNHFGCFK-QMMMGPOBSA-N	-1	1	302.360	-1.470	20	0		DAADMM
O=C(Cn1ccc(=O)[nH]c1=O)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001362244988	918483674	/nfs/dbraw/zinc/48/36/74/918483674.db2.gz	KNASPPPEYDVOTJ-SSDOTTSWSA-N	-1	1	307.270	-1.938	20	0		DAADMM
COC1(C(=O)N(C)C[C@H](C)c2nn[n-]n2)CS(=O)(=O)C1	ZINC001362302573	918495026	/nfs/dbraw/zinc/49/50/26/918495026.db2.gz	TYWZUKOBXURFFD-ZETCQYMHSA-N	-1	1	303.344	-1.425	20	0		DAADMM
Cn1cc(N2CC[C@H](NC(=O)CCc3nn[n-]n3)C2=O)cn1	ZINC001362325273	918498728	/nfs/dbraw/zinc/49/87/28/918498728.db2.gz	HJXPEJZULUUHCW-VIFPVBQESA-N	-1	1	304.314	-1.213	20	0		DAADMM
CCC[C@@H](NC(=O)C1(OC)CS(=O)(=O)C1)c1nn[n-]n1	ZINC001362385121	918511474	/nfs/dbraw/zinc/51/14/74/918511474.db2.gz	KAAQYACPQCNWBV-SSDOTTSWSA-N	-1	1	303.344	-1.029	20	0		DAADMM
O=C(N1CCC(O)(c2nn[n-]n2)CC1)C1(CO)CCOCC1	ZINC001362393452	918511814	/nfs/dbraw/zinc/51/18/14/918511814.db2.gz	YRFLEJBMOVRHHQ-UHFFFAOYSA-N	-1	1	311.342	-1.201	20	0		DAADMM
COC1(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)CS(=O)(=O)C1	ZINC001362409319	918516236	/nfs/dbraw/zinc/51/62/36/918516236.db2.gz	VTXRDDZEPDHHTH-QMMMGPOBSA-N	-1	1	315.355	-1.281	20	0		DAADMM
Cn1cnc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cc1=O	ZINC001362439207	918522581	/nfs/dbraw/zinc/52/25/81/918522581.db2.gz	WSRJPBAGOXEQOF-UHFFFAOYSA-N	-1	1	305.298	-1.583	20	0		DAADMM
C[C@@H](CN(C)C(=O)C1CN(S(C)(=O)=O)C1)c1nn[n-]n1	ZINC001362490760	918532582	/nfs/dbraw/zinc/53/25/82/918532582.db2.gz	SWDFRMMWOZHGRC-ZETCQYMHSA-N	-1	1	302.360	-1.347	20	0		DAADMM
CCC(CC)(NC(=O)CNS(=O)(=O)N(C)C)c1nn[n-]n1	ZINC001362499018	918532861	/nfs/dbraw/zinc/53/28/61/918532861.db2.gz	VFWKJTNIFFCXLO-UHFFFAOYSA-N	-1	1	319.391	-1.273	20	0		DAADMM
CN(CC(=O)N1CCC[C@H](c2nn[n-]n2)C1)S(C)(=O)=O	ZINC001362558610	918546083	/nfs/dbraw/zinc/54/60/83/918546083.db2.gz	AWVPZMORLUFWIS-QMMMGPOBSA-N	-1	1	302.360	-1.203	20	0		DAADMM
CNS(=O)(=O)N1CCN(C(=O)CCc2nn[n-]n2)CC1	ZINC001362656098	918569521	/nfs/dbraw/zinc/56/95/21/918569521.db2.gz	RPNDMWCJALXNKX-UHFFFAOYSA-N	-1	1	303.348	-2.259	20	0		DAADMM
C[C@@H]1CN(C(=O)CCc2nn[n-]n2)CCN1S(C)(=O)=O	ZINC001362671411	918572632	/nfs/dbraw/zinc/57/26/32/918572632.db2.gz	RCTHIIVAOUKACT-MRVPVSSYSA-N	-1	1	302.360	-1.375	20	0		DAADMM
CN(C)S(=O)(=O)CC(=O)N1CCSC[C@H]1c1nn[n-]n1	ZINC001362664905	918573106	/nfs/dbraw/zinc/57/31/06/918573106.db2.gz	DFAOSHZWPZYBTA-ZETCQYMHSA-N	-1	1	320.400	-1.292	20	0		DAADMM
CNS(=O)(=O)CC(=O)N[C@@H](CCSC)c1nn[n-]n1	ZINC001362689582	918576588	/nfs/dbraw/zinc/57/65/88/918576588.db2.gz	QJRVWLXFOHEFLZ-LURJTMIESA-N	-1	1	308.389	-1.341	20	0		DAADMM
O=C(CN1CCNC(=O)C1)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001362722754	918587815	/nfs/dbraw/zinc/58/78/15/918587815.db2.gz	HWCKDFDEZFXLMD-UHFFFAOYSA-N	-1	1	309.330	-2.559	20	0		DAADMM
O=C([C@H]1CCCS1(=O)=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001362728117	918590086	/nfs/dbraw/zinc/59/00/86/918590086.db2.gz	UQZSOIIRKDTCRM-MRVPVSSYSA-N	-1	1	315.355	-1.413	20	0		DAADMM
O=C(C1CCS(=O)(=O)CC1)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001362762785	918599290	/nfs/dbraw/zinc/59/92/90/918599290.db2.gz	UCVCRPWTJNHRDX-SECBINFHSA-N	-1	1	315.355	-1.076	20	0		DAADMM
CNS(=O)(=O)NCC(=O)N1CCC(c2nn[n-]n2)CC1	ZINC001362794921	918606835	/nfs/dbraw/zinc/60/68/35/918606835.db2.gz	JBZUPSPIPSIOKZ-UHFFFAOYSA-N	-1	1	303.348	-2.041	20	0		DAADMM
O=C(CCCc1nn[n-]n1)NC[C@@]12COC(=O)N1CCOC2	ZINC001362787353	918607272	/nfs/dbraw/zinc/60/72/72/918607272.db2.gz	BPJXJGFMIXWHPV-GFCCVEGCSA-N	-1	1	310.314	-1.140	20	0		DAADMM
Cc1nn(CC(=O)N2CCC(c3nn[n-]n3)CC2)c(=O)n1C	ZINC001362795623	918611516	/nfs/dbraw/zinc/61/15/16/918611516.db2.gz	MYFGSJBVYPLODX-UHFFFAOYSA-N	-1	1	306.330	-1.190	20	0		DAADMM
Cn1cc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)c(=O)n(C)c1=O	ZINC001362824784	918616420	/nfs/dbraw/zinc/61/64/20/918616420.db2.gz	ZNBSDNQLWRLESO-ZETCQYMHSA-N	-1	1	305.298	-1.773	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])NCC(=O)N1CCCO1	ZINC001362838561	918623047	/nfs/dbraw/zinc/62/30/47/918623047.db2.gz	CIYBEZHUCZWIQY-UHFFFAOYSA-N	-1	1	308.294	-1.203	20	0		DAADMM
CNC(=O)[C@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CCO1	ZINC001362889642	918633960	/nfs/dbraw/zinc/63/39/60/918633960.db2.gz	MPZFPGCNMNFYKF-ZCFIWIBFSA-N	-1	1	312.282	-1.517	20	0		DAADMM
CNS(=O)(=O)NCC(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1	ZINC001362901241	918636748	/nfs/dbraw/zinc/63/67/48/918636748.db2.gz	ABXACNHHMBHBRA-QMMMGPOBSA-N	-1	1	317.375	-1.965	20	0		DAADMM
COCCS(=O)(=O)CC(=O)N[C@H](COC)c1nn[n-]n1	ZINC001362912297	918643158	/nfs/dbraw/zinc/64/31/58/918643158.db2.gz	WRNKLIKNVBXAAC-SSDOTTSWSA-N	-1	1	307.332	-1.935	20	0		DAADMM
COCCS(=O)(=O)CC(=O)N[C@@H](COC)c1nn[n-]n1	ZINC001362912300	918643220	/nfs/dbraw/zinc/64/32/20/918643220.db2.gz	WRNKLIKNVBXAAC-ZETCQYMHSA-N	-1	1	307.332	-1.935	20	0		DAADMM
CN(C(=O)CCCc1nn[n-]n1)N1CCS(=O)(=O)CC1	ZINC001362918299	918645914	/nfs/dbraw/zinc/64/59/14/918645914.db2.gz	VLNYUMQJGKLLAW-UHFFFAOYSA-N	-1	1	302.360	-1.374	20	0		DAADMM
O=C([C@@H]1CCc2nncn2C1)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001363203342	918719375	/nfs/dbraw/zinc/71/93/75/918719375.db2.gz	HTIXSULANSEMFH-RKDXNWHRSA-N	-1	1	304.314	-1.046	20	0		DAADMM
Cn1cnn(CCC(=O)N2CCC(c3nn[n-]n3)CC2)c1=O	ZINC001363197336	918720688	/nfs/dbraw/zinc/72/06/88/918720688.db2.gz	SNNDSIHINMWYHE-UHFFFAOYSA-N	-1	1	306.330	-1.109	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](CO)[C@H](CO)C2)co1	ZINC001363272431	918742042	/nfs/dbraw/zinc/74/20/42/918742042.db2.gz	ZDUYJHXZDIKQDO-AOOOYVTPSA-N	-1	1	318.351	-1.140	20	0		DAADMM
COC(=O)C[C@@H]1CS(=O)(=O)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001363293174	918752454	/nfs/dbraw/zinc/75/24/54/918752454.db2.gz	KCBVHLHPPKNIPO-MRVPVSSYSA-N	-1	1	318.355	-1.730	20	0		DAADMM
O=C(Cn1ncc2c1nc[nH]c2=O)N1CC[C@@H](c2nn[n-]n2)C1	ZINC001363307570	918754900	/nfs/dbraw/zinc/75/49/00/918754900.db2.gz	JMZJQGFIWFDYFB-SSDOTTSWSA-N	-1	1	315.297	-1.400	20	0		DAADMM
O=C(c1cn(C(F)(F)CO)nn1)N1CC[C@@H](c2nn[n-]n2)C1	ZINC001363315066	918757135	/nfs/dbraw/zinc/75/71/35/918757135.db2.gz	HBKXXKODQYTCLC-ZCFIWIBFSA-N	-1	1	314.256	-1.038	20	0		DAADMM
CNS(=O)(=O)NCC(=O)N(Cc1nn[n-]n1)CC(C)C	ZINC001363355812	918767077	/nfs/dbraw/zinc/76/70/77/918767077.db2.gz	MZQQSQMMONXOEY-UHFFFAOYSA-N	-1	1	305.364	-1.762	20	0		DAADMM
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1[nH]c(=O)[nH]c(=O)c1N	ZINC001363448837	918790334	/nfs/dbraw/zinc/79/03/34/918790334.db2.gz	IDPNXGVOFNSOKO-JGVFFNPUSA-N	-1	1	311.342	-1.003	20	0		DAADMM
C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1[nH]c(=O)[nH]c(=O)c1N	ZINC001363448833	918791202	/nfs/dbraw/zinc/79/12/02/918791202.db2.gz	IDPNXGVOFNSOKO-HTQZYQBOSA-N	-1	1	311.342	-1.003	20	0		DAADMM
CN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1nn[n-]n1	ZINC001363490836	918802743	/nfs/dbraw/zinc/80/27/43/918802743.db2.gz	QDVJAIBPMHDFBZ-SNVBAGLBSA-N	-1	1	323.357	-1.657	20	0		DAADMM
CN(C)S(=O)(=O)C1(CNC(=O)CCc2nn[n-]n2)CC1	ZINC001363495961	918804956	/nfs/dbraw/zinc/80/49/56/918804956.db2.gz	FMEFXFDXGOCKGW-UHFFFAOYSA-N	-1	1	302.360	-1.328	20	0		DAADMM
CS(=O)(=O)N[C@@H]1CCCN(C(=O)CCc2nn[n-]n2)C1	ZINC001363501596	918807708	/nfs/dbraw/zinc/80/77/08/918807708.db2.gz	NJVJMCZQNGTXGJ-MRVPVSSYSA-N	-1	1	302.360	-1.328	20	0		DAADMM
CN(C)S(=O)(=O)CCC(=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001363509751	918810340	/nfs/dbraw/zinc/81/03/40/918810340.db2.gz	BGLGRGKOXHHKPB-MRVPVSSYSA-N	-1	1	318.359	-1.619	20	0		DAADMM
NC(=O)C1(NC(=O)c2ccc([O-])cn2)CCS(=O)(=O)CC1	ZINC001363533643	918820017	/nfs/dbraw/zinc/82/00/17/918820017.db2.gz	NXFRRUOMTLDHFD-UHFFFAOYSA-N	-1	1	313.335	-1.050	20	0		DAADMM
CSCC[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)c1nn[n-]n1	ZINC001363545021	918825222	/nfs/dbraw/zinc/82/52/22/918825222.db2.gz	XMQJISAIGGRLDW-NKWVEPMBSA-N	-1	1	320.400	-1.198	20	0		DAADMM
O=C(CCCc1nn[n-]n1)N[C@@H]1C(=O)NCC12CCOCC2	ZINC001363568238	918829980	/nfs/dbraw/zinc/82/99/80/918829980.db2.gz	QTNPZLWAYOFIOZ-LLVKDONJSA-N	-1	1	308.342	-1.066	20	0		DAADMM
CN(Cc1nnc2n1CCNC2=O)C(=O)CCCc1nn[n-]n1	ZINC001363583850	918836178	/nfs/dbraw/zinc/83/61/78/918836178.db2.gz	YTSIBBZPGLTWEQ-UHFFFAOYSA-N	-1	1	319.329	-1.484	20	0		DAADMM
NS(=O)(=O)CCCC(=O)N1CCC(c2nn[n-]n2)CC1	ZINC001363658154	918852622	/nfs/dbraw/zinc/85/26/22/918852622.db2.gz	GAHMTJLQLNMLCZ-UHFFFAOYSA-N	-1	1	302.360	-1.026	20	0		DAADMM
O=C(NCc1nc2c(c(=O)[n-]1)COCC2)C1CS(=O)(=O)C1	ZINC001363692025	918858839	/nfs/dbraw/zinc/85/88/39/918858839.db2.gz	UEFQWUGDRQNOBN-UHFFFAOYSA-N	-1	1	313.335	-1.084	20	0		DAADMM
O=C(c1cnn(C[C@H](O)CO)c1)N1CC[C@@H](c2nn[n-]n2)C1	ZINC001363716762	918864924	/nfs/dbraw/zinc/86/49/24/918864924.db2.gz	GRYQRWQCXWXZMH-SCZZXKLOSA-N	-1	1	307.314	-1.621	20	0		DAADMM
CN(CCNS(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C1CC1	ZINC001363769345	918873648	/nfs/dbraw/zinc/87/36/48/918873648.db2.gz	RHKZNOKSYRYPPN-UHFFFAOYSA-N	-1	1	302.356	-1.142	20	0		DAADMM
CN(CCS(N)(=O)=O)Cc1nc2c(c(=O)[n-]1)COCC2	ZINC001363822162	918886880	/nfs/dbraw/zinc/88/68/80/918886880.db2.gz	ATUFLIFDRBAGNP-UHFFFAOYSA-N	-1	1	302.356	-1.025	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@@H](CO)OC[C@H]2C)[n-]n1	ZINC001363819042	918886995	/nfs/dbraw/zinc/88/69/95/918886995.db2.gz	SRKWLFMTKIXSHU-SFYZADRCSA-N	-1	1	319.339	-1.033	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@@H](CO)OC[C@H]2C)n[n-]1	ZINC001363819042	918887002	/nfs/dbraw/zinc/88/70/02/918887002.db2.gz	SRKWLFMTKIXSHU-SFYZADRCSA-N	-1	1	319.339	-1.033	20	0		DAADMM
CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CC1(O)CCOCC1	ZINC001363847659	918893139	/nfs/dbraw/zinc/89/31/39/918893139.db2.gz	AIABJLXKZCEVJO-SFHVURJKSA-N	-1	1	315.417	-1.063	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2CCS(=O)(=O)C2)c(=O)[nH]c1=O	ZINC001363924203	918906782	/nfs/dbraw/zinc/90/67/82/918906782.db2.gz	BGVDGWCJYNQZPU-LURJTMIESA-N	-1	1	323.352	-2.049	20	0		DAADMM
CC(C)CNC(=O)C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001363930260	918906903	/nfs/dbraw/zinc/90/69/03/918906903.db2.gz	KBJNQGYBSADQNP-UHFFFAOYSA-N	-1	1	318.355	-1.464	20	0		DAADMM
CNC(=O)[C@H](O)CNS(=O)(=O)c1cc(OC)ccc1[O-]	ZINC001363933575	918910918	/nfs/dbraw/zinc/91/09/18/918910918.db2.gz	HQOJWHGJJKJOLE-SECBINFHSA-N	-1	1	304.324	-1.214	20	0		DAADMM
COCC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)C(N)=O	ZINC001363962032	918911934	/nfs/dbraw/zinc/91/19/34/918911934.db2.gz	BRECKZDRZQFTLJ-ULCDLSAGSA-N	-1	1	316.405	-1.714	20	0		DAADMM
COCC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)C(N)=O	ZINC001363962037	918914023	/nfs/dbraw/zinc/91/40/23/918914023.db2.gz	BRECKZDRZQFTLJ-VIIUKITBSA-N	-1	1	316.405	-1.714	20	0		DAADMM
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]CC(=O)NCC1CC1	ZINC001363978227	918918848	/nfs/dbraw/zinc/91/88/48/918918848.db2.gz	YNGRUFRVEMSPRE-GOSISDBHSA-N	-1	1	312.417	-1.079	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@H](CO)[C@H]2CCOC2)[n-]n1	ZINC001363976697	918920723	/nfs/dbraw/zinc/92/07/23/918920723.db2.gz	WBEGTNIJGGICLM-CBAPKCEASA-N	-1	1	319.339	-1.128	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@H](CO)[C@H]2CCOC2)n[n-]1	ZINC001363976697	918920735	/nfs/dbraw/zinc/92/07/35/918920735.db2.gz	WBEGTNIJGGICLM-CBAPKCEASA-N	-1	1	319.339	-1.128	20	0		DAADMM
Cc1noc(C[N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)n1	ZINC001363979278	918920762	/nfs/dbraw/zinc/92/07/62/918920762.db2.gz	CIOJDFYKXQNPDR-UHFFFAOYSA-N	-1	1	301.284	-1.344	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(CCO)C[C@H](C)O)[n-]n1	ZINC001364002937	918926064	/nfs/dbraw/zinc/92/60/64/918926064.db2.gz	UJLNKLKOUUXLBI-ZETCQYMHSA-N	-1	1	307.328	-1.440	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(CCO)C[C@H](C)O)n[n-]1	ZINC001364002937	918926088	/nfs/dbraw/zinc/92/60/88/918926088.db2.gz	UJLNKLKOUUXLBI-ZETCQYMHSA-N	-1	1	307.328	-1.440	20	0		DAADMM
CCn1ncc(C[N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)n1	ZINC001364014398	918928045	/nfs/dbraw/zinc/92/80/45/918928045.db2.gz	WASPBDQGAZYVTI-UHFFFAOYSA-N	-1	1	314.327	-1.424	20	0		DAADMM
COC[C@H](NC(=O)C1CCS(=O)(=O)CC1)c1nn[n-]n1	ZINC001364017646	918928106	/nfs/dbraw/zinc/92/81/06/918928106.db2.gz	AXOCPDXYYUHKBQ-QMMMGPOBSA-N	-1	1	303.344	-1.172	20	0		DAADMM
O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCC[C@@H](Cc2nn[n-]n2)C1	ZINC001364017572	918929516	/nfs/dbraw/zinc/92/95/16/918929516.db2.gz	AMOTUEQBLKBDCR-BQKRADJCSA-N	-1	1	323.353	-1.606	20	0		DAADMM
CO[C@@H](CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1O)C1CC1	ZINC001364019435	918931913	/nfs/dbraw/zinc/93/19/13/918931913.db2.gz	DDKQTLDJDSJUMJ-BBBLOLIVSA-N	-1	1	313.397	-1.511	20	0		DAADMM
CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CCCS2(=O)=O)n1	ZINC001364045246	918938144	/nfs/dbraw/zinc/93/81/44/918938144.db2.gz	CFOYIFBCDHHZPR-YFKPBYRVSA-N	-1	1	308.341	-1.276	20	0		DAADMM
CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CCCS2(=O)=O)[n-]1	ZINC001364045246	918938159	/nfs/dbraw/zinc/93/81/59/918938159.db2.gz	CFOYIFBCDHHZPR-YFKPBYRVSA-N	-1	1	308.341	-1.276	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2CCN(C)C(=O)C2)c(=O)[nH]c1=O	ZINC001364056247	918940317	/nfs/dbraw/zinc/94/03/17/918940317.db2.gz	NKFQDNKSGYYMAJ-ZETCQYMHSA-N	-1	1	316.339	-1.615	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@]2(C)CCNC2=O)[n-]n1	ZINC001364068698	918943266	/nfs/dbraw/zinc/94/32/66/918943266.db2.gz	WTQHBIHBUCZBJD-JTQLQIEISA-N	-1	1	302.312	-1.247	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@]2(C)CCNC2=O)n[n-]1	ZINC001364068698	918943275	/nfs/dbraw/zinc/94/32/75/918943275.db2.gz	WTQHBIHBUCZBJD-JTQLQIEISA-N	-1	1	302.312	-1.247	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@]2(C)CCNC2=O)[n-]n1	ZINC001364068705	918943429	/nfs/dbraw/zinc/94/34/29/918943429.db2.gz	WTQHBIHBUCZBJD-SNVBAGLBSA-N	-1	1	302.312	-1.247	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@]2(C)CCNC2=O)n[n-]1	ZINC001364068705	918943444	/nfs/dbraw/zinc/94/34/44/918943444.db2.gz	WTQHBIHBUCZBJD-SNVBAGLBSA-N	-1	1	302.312	-1.247	20	0		DAADMM
COC(=O)C1([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)CC(CO)C1	ZINC001364184252	918959548	/nfs/dbraw/zinc/95/95/48/918959548.db2.gz	CACFCCDPJNTKSX-QTZUAFFRSA-N	-1	1	322.383	-1.303	20	0		DAADMM
CN(C(=O)CN1CCN(S(C)(=O)=O)CC1)c1nn[n-]n1	ZINC001364202239	918963866	/nfs/dbraw/zinc/96/38/66/918963866.db2.gz	USDDJCJCYFUJIL-UHFFFAOYSA-N	-1	1	303.348	-2.260	20	0		DAADMM
NC(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)cn1	ZINC001364382754	919000841	/nfs/dbraw/zinc/00/08/41/919000841.db2.gz	JTHXQVITZNMFPR-SECBINFHSA-N	-1	1	303.282	-1.093	20	0		DAADMM
NC(=O)N1CCC[C@@H](C(=O)N2CCOC[C@@H]2c2nn[n-]n2)C1	ZINC001364382253	919001797	/nfs/dbraw/zinc/00/17/97/919001797.db2.gz	AVEDCNDXBGCHCT-RKDXNWHRSA-N	-1	1	309.330	-1.110	20	0		DAADMM
O=C(CNC(=O)N1CCCC1)N1CCOC[C@H]1c1nn[n-]n1	ZINC001364382776	919002199	/nfs/dbraw/zinc/00/21/99/919002199.db2.gz	KFNGDJOMQARYQB-VIFPVBQESA-N	-1	1	309.330	-1.095	20	0		DAADMM
NC(=O)c1ccc(CC(=O)N2CCOC[C@H]2c2nn[n-]n2)cn1	ZINC001364384379	919004839	/nfs/dbraw/zinc/00/48/39/919004839.db2.gz	UYZVLQNFRCZLEM-JTQLQIEISA-N	-1	1	317.309	-1.164	20	0		DAADMM
Nc1nc2nc(CN3CC[C@@]4(CNC(=O)C4)C3)cc(=O)n2[n-]1	ZINC001364395916	919005609	/nfs/dbraw/zinc/00/56/09/919005609.db2.gz	GXCKBDVONYHKOP-CYBMUJFWSA-N	-1	1	303.326	-1.288	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N1C[C@H](CCO)[C@H](CO)C1	ZINC001364453298	919013669	/nfs/dbraw/zinc/01/36/69/919013669.db2.gz	NRKQOYNQDMCHDW-QWRGUYRKSA-N	-1	1	323.349	-1.034	20	0		DAADMM
Nc1nc2nc(CN3CCN([C@H]4CCOC4)CC3)cc(=O)n2[n-]1	ZINC001364451007	919016523	/nfs/dbraw/zinc/01/65/23/919016523.db2.gz	ZSMXIKDZDNCEAL-NSHDSACASA-N	-1	1	319.369	-1.094	20	0		DAADMM
O=C(CCn1cnnn1)NCc1nc2c(c(=O)[n-]1)COCC2	ZINC001364551145	919030343	/nfs/dbraw/zinc/03/03/43/919030343.db2.gz	ZTELVECGCFFPPV-UHFFFAOYSA-N	-1	1	305.298	-1.052	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2)c(=O)[nH]c1=O	ZINC001364784392	919065219	/nfs/dbraw/zinc/06/52/19/919065219.db2.gz	WSDWCKQZLLKRJG-ZETCQYMHSA-N	-1	1	316.339	-1.615	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@H]2COCCO2)c(=O)[nH]c1=O	ZINC001364783987	919065442	/nfs/dbraw/zinc/06/54/42/919065442.db2.gz	LTKLCTDATSNUDH-ZETCQYMHSA-N	-1	1	305.312	-1.820	20	0		DAADMM
COC[C@@](C)(O)C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001364782626	919066362	/nfs/dbraw/zinc/06/63/62/919066362.db2.gz	QQWNECLITDCYLB-JTQLQIEISA-N	-1	1	307.328	-1.838	20	0		DAADMM
CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@]1(O)CCOC1	ZINC001364827985	919076811	/nfs/dbraw/zinc/07/68/11/919076811.db2.gz	KHSADRDDZSSMSQ-RBHXEPJQSA-N	-1	1	301.390	-1.453	20	0		DAADMM
COC(=O)C1([N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)CCC1	ZINC001364826873	919077194	/nfs/dbraw/zinc/07/71/94/919077194.db2.gz	DRMKIXNMOOPTER-UHFFFAOYSA-N	-1	1	317.323	-1.140	20	0		DAADMM
C[C@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001364827322	919077235	/nfs/dbraw/zinc/07/72/35/919077235.db2.gz	NHAXWEGMOJCUCJ-POYBYMJQSA-N	-1	1	316.339	-1.711	20	0		DAADMM
CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@@]1(O)CCOC1	ZINC001364827975	919078031	/nfs/dbraw/zinc/07/80/31/919078031.db2.gz	KHSADRDDZSSMSQ-QPFGOUBPSA-N	-1	1	301.390	-1.453	20	0		DAADMM
COCC[C@@H](CO)[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC	ZINC001364827425	919078359	/nfs/dbraw/zinc/07/83/59/919078359.db2.gz	OHYCASGYWMQNRC-ZETCQYMHSA-N	-1	1	307.328	-1.128	20	0		DAADMM
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@H](CO)[C@@H]1CCOC1	ZINC001364843181	919079483	/nfs/dbraw/zinc/07/94/83/919079483.db2.gz	QCUOVQCVEXLZRK-CXNNERTKSA-N	-1	1	315.417	-1.207	20	0		DAADMM
COCC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)n[n-]1	ZINC001364852694	919083191	/nfs/dbraw/zinc/08/31/91/919083191.db2.gz	AWLQOUZKQZTVQP-ZETCQYMHSA-N	-1	1	307.328	-1.128	20	0		DAADMM
COCC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)[n-]n1	ZINC001364852694	919083201	/nfs/dbraw/zinc/08/32/01/919083201.db2.gz	AWLQOUZKQZTVQP-ZETCQYMHSA-N	-1	1	307.328	-1.128	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCCn2cnnc2)[n-]n1	ZINC001364872780	919086515	/nfs/dbraw/zinc/08/65/15/919086515.db2.gz	XNELMYIRQYJEOS-UHFFFAOYSA-N	-1	1	300.300	-1.234	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCCn2cnnc2)n[n-]1	ZINC001364872780	919086533	/nfs/dbraw/zinc/08/65/33/919086533.db2.gz	XNELMYIRQYJEOS-UHFFFAOYSA-N	-1	1	300.300	-1.234	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CC(=O)N[C@@H](C)C2)[n-]n1	ZINC001364864912	919087078	/nfs/dbraw/zinc/08/70/78/919087078.db2.gz	KYLMRBJILROFCU-LURJTMIESA-N	-1	1	302.312	-1.295	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CC(=O)N[C@@H](C)C2)n[n-]1	ZINC001364864912	919087092	/nfs/dbraw/zinc/08/70/92/919087092.db2.gz	KYLMRBJILROFCU-LURJTMIESA-N	-1	1	302.312	-1.295	20	0		DAADMM
CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)n[n-]1)C(=O)NC	ZINC001364882106	919088455	/nfs/dbraw/zinc/08/84/55/919088455.db2.gz	ULDNTJNXLNXTHI-LURJTMIESA-N	-1	1	304.328	-1.001	20	0		DAADMM
CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)[n-]n1)C(=O)NC	ZINC001364882106	919088469	/nfs/dbraw/zinc/08/84/69/919088469.db2.gz	ULDNTJNXLNXTHI-LURJTMIESA-N	-1	1	304.328	-1.001	20	0		DAADMM
COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)N1CCOC(C)(C)C1	ZINC001364883788	919088918	/nfs/dbraw/zinc/08/89/18/919088918.db2.gz	KCRPPLLDYNMGEI-LLVKDONJSA-N	-1	1	310.372	-1.144	20	0		DAADMM
CC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)NC	ZINC001364881482	919090071	/nfs/dbraw/zinc/09/00/71/919090071.db2.gz	PXOBSRLHNYPFRA-ZETCQYMHSA-N	-1	1	318.355	-2.113	20	0		DAADMM
COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)CCN1CCOC1=O	ZINC001364885277	919091499	/nfs/dbraw/zinc/09/14/99/919091499.db2.gz	UPJHSYMDHNFVMH-SNVBAGLBSA-N	-1	1	310.328	-1.718	20	0		DAADMM
COC(=O)[C@H](C)CS(=O)(=O)[N-]CC(=O)N=S(C)(C)=O	ZINC001364885180	919092991	/nfs/dbraw/zinc/09/29/91/919092991.db2.gz	DWIJUVUTYTUDFZ-SSDOTTSWSA-N	-1	1	314.385	-1.031	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCn1ccnn1	ZINC001364901895	919093960	/nfs/dbraw/zinc/09/39/60/919093960.db2.gz	FBDCBZBRSBDHCR-UHFFFAOYSA-N	-1	1	300.300	-1.234	20	0		DAADMM
Cc1cc(CS(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@H]2O)on1	ZINC001364900344	919094846	/nfs/dbraw/zinc/09/48/46/919094846.db2.gz	BWUBUQBTAOHBAR-RKDXNWHRSA-N	-1	1	310.353	-1.440	20	0		DAADMM
CC[C@@H](CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1O)OC	ZINC001364902058	919094987	/nfs/dbraw/zinc/09/49/87/919094987.db2.gz	WYCOZAWEHFZPOY-DJLDLDEBSA-N	-1	1	301.386	-1.511	20	0		DAADMM
CCC[C@@H](CCO)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC001364902468	919095096	/nfs/dbraw/zinc/09/50/96/919095096.db2.gz	ZBVFJYKYTOEDLY-VIFPVBQESA-N	-1	1	319.383	-1.087	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCCC(=O)N(C)C)[n-]n1	ZINC001365037890	919118635	/nfs/dbraw/zinc/11/86/35/919118635.db2.gz	GCHRKCLYRJADEH-UHFFFAOYSA-N	-1	1	304.328	-1.047	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCCC(=O)N(C)C)n[n-]1	ZINC001365037890	919118648	/nfs/dbraw/zinc/11/86/48/919118648.db2.gz	GCHRKCLYRJADEH-UHFFFAOYSA-N	-1	1	304.328	-1.047	20	0		DAADMM
COC(=O)c1c(NC(=O)[C@@H]2COCCO2)n[n-]c1OCCO	ZINC001365203031	919141564	/nfs/dbraw/zinc/14/15/64/919141564.db2.gz	IUXUJDFJDUCXIM-ZETCQYMHSA-N	-1	1	315.282	-1.079	20	0		DAADMM
COC(=O)c1c(OCCO)n[n-]c1NC(=O)[C@@H]1COCCO1	ZINC001365203031	919141572	/nfs/dbraw/zinc/14/15/72/919141572.db2.gz	IUXUJDFJDUCXIM-ZETCQYMHSA-N	-1	1	315.282	-1.079	20	0		DAADMM
Nc1nc2nc(CN3CC[C@@H]4NC(=O)OC[C@H]4C3)cc(=O)n2[n-]1	ZINC001365291557	919155803	/nfs/dbraw/zinc/15/58/03/919155803.db2.gz	CKVGDVFKTKCHPH-APPZFPTMSA-N	-1	1	319.325	-1.070	20	0		DAADMM
CN1CC[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)C1=O	ZINC001365373281	919166493	/nfs/dbraw/zinc/16/64/93/919166493.db2.gz	ABKVGVMBQSYZOK-ZCFIWIBFSA-N	-1	1	302.312	-2.005	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CNC(=O)C2)[n-]n1	ZINC001365419852	919179141	/nfs/dbraw/zinc/17/91/41/919179141.db2.gz	YKNHVOFVMPEWFU-LURJTMIESA-N	-1	1	302.312	-1.389	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CNC(=O)C2)n[n-]1	ZINC001365419852	919179148	/nfs/dbraw/zinc/17/91/48/919179148.db2.gz	YKNHVOFVMPEWFU-LURJTMIESA-N	-1	1	302.312	-1.389	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(C)CCNC(C)=O)[n-]n1	ZINC001365424759	919181581	/nfs/dbraw/zinc/18/15/81/919181581.db2.gz	BITKGAWKKSCBFG-UHFFFAOYSA-N	-1	1	304.328	-1.047	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(C)CCNC(C)=O)n[n-]1	ZINC001365424759	919181593	/nfs/dbraw/zinc/18/15/93/919181593.db2.gz	BITKGAWKKSCBFG-UHFFFAOYSA-N	-1	1	304.328	-1.047	20	0		DAADMM
CO[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)[C@@H]1COC[C@H]1O	ZINC001365437883	919184945	/nfs/dbraw/zinc/18/49/45/919184945.db2.gz	RAPXPYNKCVBQEG-LURQLKTLSA-N	-1	1	315.369	-2.523	20	0		DAADMM
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H]1CCNC1=O	ZINC001365446347	919186396	/nfs/dbraw/zinc/18/63/96/919186396.db2.gz	MIZSNBFZISVJFF-LURJTMIESA-N	-1	1	302.312	-1.328	20	0		DAADMM
O=S(=O)([N-][C@@H]1CS(=O)(=O)C[C@H]1O)[C@@H]1COC[C@H]1O	ZINC001365453162	919187296	/nfs/dbraw/zinc/18/72/96/919187296.db2.gz	YCCYKTKKWHHXQX-WCTZXXKLSA-N	-1	1	301.342	-3.177	20	0		DAADMM
CCn1[n-]nnc1=NC(=O)N1CCN(Cc2n[nH]c(C)n2)CC1	ZINC001365499930	919196634	/nfs/dbraw/zinc/19/66/34/919196634.db2.gz	BSBJAWPMWOZBBW-UHFFFAOYSA-N	-1	1	320.361	-1.109	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCC(=O)NC(C)C)[n-]n1	ZINC001365620303	919203702	/nfs/dbraw/zinc/20/37/02/919203702.db2.gz	MWHZTUCBXSFCKN-UHFFFAOYSA-N	-1	1	304.328	-1.001	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCC(=O)NC(C)C)n[n-]1	ZINC001365620303	919203718	/nfs/dbraw/zinc/20/37/18/919203718.db2.gz	MWHZTUCBXSFCKN-UHFFFAOYSA-N	-1	1	304.328	-1.001	20	0		DAADMM
CC(C)OC(=O)C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001365650103	919210538	/nfs/dbraw/zinc/21/05/38/919210538.db2.gz	SYVOAMXHVLUPHS-UHFFFAOYSA-N	-1	1	305.312	-1.284	20	0		DAADMM
COC[C@@](C)(O)C[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C	ZINC001365661123	919212392	/nfs/dbraw/zinc/21/23/92/919212392.db2.gz	YQRFSZCUDLHNFB-WNWIJWBNSA-N	-1	1	303.406	-1.207	20	0		DAADMM
COC[C@H](NS(=O)(=O)c1cc(C(=O)OC)n[n-]1)C(=O)OC	ZINC001365684485	919217157	/nfs/dbraw/zinc/21/71/57/919217157.db2.gz	XOCBXTCSDJMCIZ-ZETCQYMHSA-N	-1	1	321.311	-1.337	20	0		DAADMM
COC[C@H](NS(=O)(=O)c1cc(C(=O)OC)[n-]n1)C(=O)OC	ZINC001365684485	919217170	/nfs/dbraw/zinc/21/71/70/919217170.db2.gz	XOCBXTCSDJMCIZ-ZETCQYMHSA-N	-1	1	321.311	-1.337	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](CO)[C@@H]1CCOC1	ZINC001365686202	919218779	/nfs/dbraw/zinc/21/87/79/919218779.db2.gz	AIWJFXXNCWDBKB-APPZFPTMSA-N	-1	1	319.339	-1.128	20	0		DAADMM
CN(C)c1noc(C[N-]S(=O)(=O)C[C@@H]2CN(C)CCO2)n1	ZINC001365701032	919220900	/nfs/dbraw/zinc/22/09/00/919220900.db2.gz	CXCWQQZQFFDIGC-VIFPVBQESA-N	-1	1	319.387	-1.114	20	0		DAADMM
COC(=O)N1CC([N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)C1	ZINC001365701065	919221782	/nfs/dbraw/zinc/22/17/82/919221782.db2.gz	DVZCLIJBJIKWRZ-UHFFFAOYSA-N	-1	1	318.311	-1.785	20	0		DAADMM
C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)N(C)C	ZINC001365705202	919221834	/nfs/dbraw/zinc/22/18/34/919221834.db2.gz	KAJDNWQFNZMTCF-LURJTMIESA-N	-1	1	304.328	-1.759	20	0		DAADMM
COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)N1CCC(OC)CC1	ZINC001365713208	919224590	/nfs/dbraw/zinc/22/45/90/919224590.db2.gz	DNZRIHWRMNLPPY-LLVKDONJSA-N	-1	1	310.372	-1.144	20	0		DAADMM
CN(C)S(=O)(=O)CCS(=O)(=O)[N-][C@@]1(C)CCOC1=O	ZINC001365711479	919224704	/nfs/dbraw/zinc/22/47/04/919224704.db2.gz	SIPAYWGEXTZBOV-VIFPVBQESA-N	-1	1	314.385	-1.497	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@H]2COCC[C@H]2O)[n-]n1	ZINC001365727942	919228857	/nfs/dbraw/zinc/22/88/57/919228857.db2.gz	UJGZUCVBITWAQQ-HTQZYQBOSA-N	-1	1	305.312	-1.376	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@H]2COCC[C@H]2O)n[n-]1	ZINC001365727942	919228864	/nfs/dbraw/zinc/22/88/64/919228864.db2.gz	UJGZUCVBITWAQQ-HTQZYQBOSA-N	-1	1	305.312	-1.376	20	0		DAADMM
Cn1[n-]c(CN2CCN(CCNC(=O)C(F)F)CC2)nc1=O	ZINC001365955997	919250644	/nfs/dbraw/zinc/25/06/44/919250644.db2.gz	RFHNDSPSMNATPM-UHFFFAOYSA-N	-1	1	318.328	-1.393	20	0		DAADMM
C[C@@H]1C[C@H]1C(=O)NCCN1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001365961014	919254801	/nfs/dbraw/zinc/25/48/01/919254801.db2.gz	SBZHTDPSXOVWJU-VXGBXAGGSA-N	-1	1	322.413	-1.002	20	0		DAADMM
CCn1nncc1C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001366528686	919336836	/nfs/dbraw/zinc/33/68/36/919336836.db2.gz	RHCGZWHXEPFRFR-UHFFFAOYSA-N	-1	1	308.346	-1.418	20	0		DAADMM
CN(CCNC(=O)Cn1ccccc1=O)Cc1nc(=O)n(C)[n-]1	ZINC001366592534	919354368	/nfs/dbraw/zinc/35/43/68/919354368.db2.gz	QPDHPFPNBIMOCZ-UHFFFAOYSA-N	-1	1	320.353	-1.482	20	0		DAADMM
O=C(Cc1nnc[nH]1)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001366669181	919362993	/nfs/dbraw/zinc/36/29/93/919362993.db2.gz	JWZHGJBTVKFQKM-QMMMGPOBSA-N	-1	1	306.330	-1.048	20	0		DAADMM
CN(CCN1CCN(CC(N)=O)CC1)C(=O)c1ncccc1[O-]	ZINC001366848988	919383926	/nfs/dbraw/zinc/38/39/26/919383926.db2.gz	BUVIRXLRPZKRKS-UHFFFAOYSA-N	-1	1	321.381	-1.038	20	0		DAADMM
O=C(NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CNC(=O)N1	ZINC001366835442	919384278	/nfs/dbraw/zinc/38/42/78/919384278.db2.gz	NYSRYJAJDNCHEY-IUCAKERBSA-N	-1	1	323.357	-1.480	20	0		DAADMM
CN(C)C(=O)CCCC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001366949262	919405462	/nfs/dbraw/zinc/40/54/62/919405462.db2.gz	ZEEFGJHPZWTHTK-UHFFFAOYSA-N	-1	1	324.385	-1.333	20	0		DAADMM
CN(CCN(C)C(=O)CCn1cncn1)Cc1nc(=O)n(C)[n-]1	ZINC001367504387	919469893	/nfs/dbraw/zinc/46/98/93/919469893.db2.gz	ZHIXBNYKEAOJOD-UHFFFAOYSA-N	-1	1	322.373	-1.320	20	0		DAADMM
CN(CCN(C)C(=O)[C@H]1CC(=O)N(C)C1)Cc1nc(=O)n(C)[n-]1	ZINC001367522231	919474568	/nfs/dbraw/zinc/47/45/68/919474568.db2.gz	VUEZZHZNTWPBEZ-JTQLQIEISA-N	-1	1	324.385	-1.523	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)N[C@H](C)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001367779756	919569324	/nfs/dbraw/zinc/56/93/24/919569324.db2.gz	FQQDUKSRYZBZRA-BDAKNGLRSA-N	-1	1	312.374	-1.431	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)CCn1cnnn1	ZINC001367843966	919578418	/nfs/dbraw/zinc/57/84/18/919578418.db2.gz	QSCGARZGVHAGFN-VIFPVBQESA-N	-1	1	323.361	-1.878	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001367929724	919590390	/nfs/dbraw/zinc/59/03/90/919590390.db2.gz	HEFDGJJRUOZXSA-WCBMZHEXSA-N	-1	1	310.358	-1.677	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001368068513	919611372	/nfs/dbraw/zinc/61/13/72/919611372.db2.gz	OHIGUAXOMAFIID-MRVPVSSYSA-N	-1	1	310.358	-1.724	20	0		DAADMM
CC(=O)N(C)CC(=O)N[C@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001368145286	919618444	/nfs/dbraw/zinc/61/84/44/919618444.db2.gz	UZBOCBZZYZPFPK-CQSZACIVSA-N	-1	1	324.385	-1.333	20	0		DAADMM
COC[C@H](O)CN1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001368286615	919666081	/nfs/dbraw/zinc/66/60/81/919666081.db2.gz	HAKVGINKQMRACQ-SNVBAGLBSA-N	-1	1	311.338	-1.429	20	0		DAADMM
CN1CCC[C@@H]1C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001368301591	919680105	/nfs/dbraw/zinc/68/01/05/919680105.db2.gz	HLLNVBLHAOEUPF-SECBINFHSA-N	-1	1	310.358	-1.733	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)Cc3c[nH]cn3)C2)nc1=O	ZINC001368312272	919689662	/nfs/dbraw/zinc/68/96/62/919689662.db2.gz	JQFWGQFHCJOKQF-UHFFFAOYSA-N	-1	1	321.341	-2.263	20	0		DAADMM
Cn1[n-]c(CN2CC(CCO)(NC(=O)C3CCC3)C2)nc1=O	ZINC001369014125	919793753	/nfs/dbraw/zinc/79/37/53/919793753.db2.gz	OBOSLFDNTPWACA-UHFFFAOYSA-N	-1	1	309.370	-1.039	20	0		DAADMM
CN1CCC[C@@H]1C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001369024472	919801262	/nfs/dbraw/zinc/80/12/62/919801262.db2.gz	DOODZCQRVVQLSO-SNVBAGLBSA-N	-1	1	324.385	-1.343	20	0		DAADMM
CN(C(=O)Cn1ncnn1)[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001369201401	919828457	/nfs/dbraw/zinc/82/84/57/919828457.db2.gz	JBHMLCDQJBGOMX-VIFPVBQESA-N	-1	1	321.345	-1.476	20	0		DAADMM
C[C@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)NCc1n[nH]c(=O)[n-]1	ZINC001369228344	919832482	/nfs/dbraw/zinc/83/24/82/919832482.db2.gz	GGNQCTOAWBEZTM-ZJUUUORDSA-N	-1	1	312.374	-1.223	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)C[C@H]2CCCO2)nc1=O	ZINC001369303188	919839573	/nfs/dbraw/zinc/83/95/73/919839573.db2.gz	BZTSGUBIKQOKGF-VHSXEESVSA-N	-1	1	313.358	-1.756	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)c2ccncc2)nc1=O	ZINC001369304855	919841481	/nfs/dbraw/zinc/84/14/81/919841481.db2.gz	FUXIOCSTOBEZJW-SNVBAGLBSA-N	-1	1	306.326	-1.616	20	0		DAADMM
Cc1cc(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)ncn1	ZINC001369319353	919853593	/nfs/dbraw/zinc/85/35/93/919853593.db2.gz	DJPWLGIWGXKJRP-SECBINFHSA-N	-1	1	321.341	-1.913	20	0		DAADMM
CCN(C)C(=O)CN[C@H](CO)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001369327454	919861979	/nfs/dbraw/zinc/86/19/79/919861979.db2.gz	YCHLONKMXSKAEM-VIFPVBQESA-N	-1	1	313.358	-1.418	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)nc1=O	ZINC001369354993	919893587	/nfs/dbraw/zinc/89/35/87/919893587.db2.gz	XNEHRNDEUAVNHH-VPOLOUISSA-N	-1	1	309.370	-1.279	20	0		DAADMM
CO[C@@H](C)CC(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001369452699	919933367	/nfs/dbraw/zinc/93/33/67/919933367.db2.gz	GPPSQGBLIWZMGD-IUCAKERBSA-N	-1	1	301.347	-1.156	20	0		DAADMM
O=C(CCc1c[nH]nn1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001370012757	920032825	/nfs/dbraw/zinc/03/28/25/920032825.db2.gz	FWFVJEIIRZFQNX-SECBINFHSA-N	-1	1	306.330	-1.048	20	0		DAADMM
O=C(CCc1cnn[nH]1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001370012757	920032839	/nfs/dbraw/zinc/03/28/39/920032839.db2.gz	FWFVJEIIRZFQNX-SECBINFHSA-N	-1	1	306.330	-1.048	20	0		DAADMM
C[C@@H](C(=O)N[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C1)S(C)(=O)=O	ZINC001370648145	920086804	/nfs/dbraw/zinc/08/68/04/920086804.db2.gz	INLLAKHLWNXMHH-BIIVOSGPSA-N	-1	1	317.371	-1.320	20	0		DAADMM
CCN1C[C@H](C(=O)NC[C@H](C)NCc2n[nH]c(=O)[n-]2)CC1=O	ZINC001371188774	920237268	/nfs/dbraw/zinc/23/72/68/920237268.db2.gz	AYDBUWBXYKUJEE-DTWKUNHWSA-N	-1	1	310.358	-1.027	20	0		DAADMM
C[C@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001371476236	920265064	/nfs/dbraw/zinc/26/50/64/920265064.db2.gz	SVKXGWMHKQOTBP-JGVFFNPUSA-N	-1	1	319.387	-1.215	20	0		DAADMM
O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H]1CCNC1=O	ZINC001371810598	920302216	/nfs/dbraw/zinc/30/22/16/920302216.db2.gz	WYWPPHPXLBPEJA-VIFPVBQESA-N	-1	1	307.310	-1.057	20	0		DAADMM
COC(=O)[C@H]1C[C@H]1C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001371925846	920308716	/nfs/dbraw/zinc/30/87/16/920308716.db2.gz	DDQIBYDNRUNNIQ-BDAKNGLRSA-N	-1	1	311.342	-1.535	20	0		DAADMM
CN(CCNC(=O)c1cnc[nH]c1=O)Cc1nc(=O)n(C)[n-]1	ZINC001372006457	920324210	/nfs/dbraw/zinc/32/42/10/920324210.db2.gz	PKSQPNCWHATQQU-UHFFFAOYSA-N	-1	1	307.314	-1.534	20	0		DAADMM
CN(CCNC(=O)[C@@H]1CC[C@H]1C(N)=O)Cc1nc(=O)n(C)[n-]1	ZINC001372061125	920332435	/nfs/dbraw/zinc/33/24/35/920332435.db2.gz	WGMGBBWDIFKOKF-RKDXNWHRSA-N	-1	1	310.358	-1.832	20	0		DAADMM
CN(CCNC(=O)[C@H]1CC[C@@H]1C(N)=O)Cc1nc(=O)n(C)[n-]1	ZINC001372061121	920332707	/nfs/dbraw/zinc/33/27/07/920332707.db2.gz	WGMGBBWDIFKOKF-IUCAKERBSA-N	-1	1	310.358	-1.832	20	0		DAADMM
CCN(CCNC(=O)CN1CCCC1=O)Cc1nc(=O)n(C)[n-]1	ZINC001372272292	920357477	/nfs/dbraw/zinc/35/74/77/920357477.db2.gz	BZRGNGCPJHNZJO-UHFFFAOYSA-N	-1	1	324.385	-1.331	20	0		DAADMM
COC[C@H](OC)C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001373530465	920516454	/nfs/dbraw/zinc/51/64/54/920516454.db2.gz	FLZJFZQUXULPIK-JTQLQIEISA-N	-1	1	313.358	-1.682	20	0		DAADMM
Cn1nnnc1CNC[C@@H](O)CNC(=O)c1ncccc1[O-]	ZINC001374596617	920636027	/nfs/dbraw/zinc/63/60/27/920636027.db2.gz	UMJXVKWMWSIQCF-MRVPVSSYSA-N	-1	1	307.314	-1.809	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cc(=O)n(C)cn1	ZINC001374768373	920708269	/nfs/dbraw/zinc/70/82/69/920708269.db2.gz	WSFHKYFIIXUKFU-SSDOTTSWSA-N	-1	1	307.314	-1.488	20	0		DAADMM
CCN1CCOC[C@@H]1C(=O)N[C@H](C)CNCc1n[nH]c(=O)[n-]1	ZINC001374782244	920709671	/nfs/dbraw/zinc/70/96/71/920709671.db2.gz	VPRKUUXKEVMOEE-NXEZZACHSA-N	-1	1	312.374	-1.175	20	0		DAADMM
O=C(N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1)[C@H]1COCCO1	ZINC001375208563	920753722	/nfs/dbraw/zinc/75/37/22/920753722.db2.gz	HTEPIDOFXXOHMV-VHSXEESVSA-N	-1	1	311.342	-1.090	20	0		DAADMM
Cn1ccc(CC(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)n1	ZINC001375309468	920762834	/nfs/dbraw/zinc/76/28/34/920762834.db2.gz	LMBDBTUNRKWEOS-LLVKDONJSA-N	-1	1	319.369	-1.225	20	0		DAADMM
CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001375345432	920771022	/nfs/dbraw/zinc/77/10/22/920771022.db2.gz	RGZKWKAGRIVZGS-WDEREUQCSA-N	-1	1	324.385	-1.286	20	0		DAADMM
C[C@H](NC(N)=O)C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001375670353	920796295	/nfs/dbraw/zinc/79/62/95/920796295.db2.gz	KIBIIYWZVRHOBL-ZETCQYMHSA-N	-1	1	311.346	-2.192	20	0		DAADMM
C[C@]1(NC(=O)Cc2nnc[nH]2)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001375847117	920811848	/nfs/dbraw/zinc/81/18/48/920811848.db2.gz	JJBOXUGTPNNVLG-LBPRGKRZSA-N	-1	1	306.330	-1.048	20	0		DAADMM
CCC(=O)N[C@H](C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001376127313	920865738	/nfs/dbraw/zinc/86/57/38/920865738.db2.gz	YABDJPODFGDUCB-ZJUUUORDSA-N	-1	1	324.385	-1.286	20	0		DAADMM
CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001376127312	920866452	/nfs/dbraw/zinc/86/64/52/920866452.db2.gz	YABDJPODFGDUCB-VHSXEESVSA-N	-1	1	324.385	-1.286	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)c3ccon3)C2)nc1=O	ZINC001376130603	920868302	/nfs/dbraw/zinc/86/83/02/920868302.db2.gz	JVTXQMCRQFZNFA-UHFFFAOYSA-N	-1	1	308.298	-1.927	20	0		DAADMM
CS[C@H](C)C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001376140390	920872778	/nfs/dbraw/zinc/87/27/78/920872778.db2.gz	MYEHDQWYIBYLTF-MRVPVSSYSA-N	-1	1	315.399	-1.477	20	0		DAADMM
CNC(=O)[C@@H](C)N1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001376167037	920882132	/nfs/dbraw/zinc/88/21/32/920882132.db2.gz	UBRQDMKGVXZSCK-SECBINFHSA-N	-1	1	308.338	-1.302	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)c3cc(F)c[nH]3)C2)nc1=O	ZINC001376201514	920890205	/nfs/dbraw/zinc/89/02/05/920890205.db2.gz	BAJCTBIFEYBBEP-UHFFFAOYSA-N	-1	1	324.316	-1.448	20	0		DAADMM
CCC(=O)NCC(=O)NC[C@@H]1CCCN1Cc1nc(=O)n(C)[n-]1	ZINC001377389929	921813173	/nfs/dbraw/zinc/81/31/73/921813173.db2.gz	UZFSTMCWYDAIPD-JTQLQIEISA-N	-1	1	324.385	-1.285	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1	ZINC001377420377	921816449	/nfs/dbraw/zinc/81/64/49/921816449.db2.gz	GJCRTZVLVZXCPF-ONGXEEELSA-N	-1	1	324.385	-1.429	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1	ZINC001377420368	921818052	/nfs/dbraw/zinc/81/80/52/921818052.db2.gz	GJCRTZVLVZXCPF-MWLCHTKSSA-N	-1	1	324.385	-1.429	20	0		DAADMM
C[C@@H](CNC(=O)c1cnn(C)c1N)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001378019909	921901625	/nfs/dbraw/zinc/90/16/25/921901625.db2.gz	GPKZOVKKCJDGND-QMMMGPOBSA-N	-1	1	322.373	-1.326	20	0		DAADMM
C[C@@H](CNC(=O)CCn1ccnn1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001378040885	921904646	/nfs/dbraw/zinc/90/46/46/921904646.db2.gz	XQAVGJWIVWVJCS-JTQLQIEISA-N	-1	1	322.373	-1.273	20	0		DAADMM
C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001378129799	921918884	/nfs/dbraw/zinc/91/88/84/921918884.db2.gz	IRFQFVOECASQSI-OTYXRUKQSA-N	-1	1	324.385	-1.286	20	0		DAADMM
C[C@@H](CNC(=O)c1cnn(C)n1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001378170296	921927564	/nfs/dbraw/zinc/92/75/64/921927564.db2.gz	RYCOZDNSAAHWSZ-QMMMGPOBSA-N	-1	1	308.346	-1.513	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1	ZINC001378771764	922007750	/nfs/dbraw/zinc/00/77/50/922007750.db2.gz	AAALBANKXXNBKR-DTWKUNHWSA-N	-1	1	310.358	-1.075	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)[C@H]1CC(=O)N(C)C1	ZINC001378771768	922007884	/nfs/dbraw/zinc/00/78/84/922007884.db2.gz	AAALBANKXXNBKR-IUCAKERBSA-N	-1	1	310.358	-1.075	20	0		DAADMM
C[C@H](N[C@H](CO)CNC(=O)c1ncccc1[O-])c1nnnn1C	ZINC001379400665	922153982	/nfs/dbraw/zinc/15/39/82/922153982.db2.gz	YQTSSIGGSDXVPW-IUCAKERBSA-N	-1	1	321.341	-1.248	20	0		DAADMM
C[C@@H](N[C@@H](CO)CNC(=O)c1ncccc1[O-])c1nnnn1C	ZINC001379400669	922155588	/nfs/dbraw/zinc/15/55/88/922155588.db2.gz	YQTSSIGGSDXVPW-RKDXNWHRSA-N	-1	1	321.341	-1.248	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)c2ccns2)nc1=O	ZINC001379412338	922162242	/nfs/dbraw/zinc/16/22/42/922162242.db2.gz	ZQBBBKVFSZDLOD-SSDOTTSWSA-N	-1	1	312.355	-1.555	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)CCc1cnn(C)n1	ZINC001379422479	922164869	/nfs/dbraw/zinc/16/48/69/922164869.db2.gz	VLGQIBNOHQQFSA-MRVPVSSYSA-N	-1	1	308.346	-1.134	20	0		DAADMM
C[C@@H](CNCc1nccn1C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001379519368	922213122	/nfs/dbraw/zinc/21/31/22/922213122.db2.gz	GSCNGIKFXLXQCW-ZETCQYMHSA-N	-1	1	307.314	-1.076	20	0		DAADMM
COC(=O)NCC(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)C[C@@H]1C	ZINC001379590299	922229250	/nfs/dbraw/zinc/22/92/50/922229250.db2.gz	YYQGSKRPUQNUEC-JGVFFNPUSA-N	-1	1	312.330	-1.055	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)C[C@H]1CCNC1=O	ZINC001379678832	922239895	/nfs/dbraw/zinc/23/98/95/922239895.db2.gz	JSGXALYROUADOQ-VHSXEESVSA-N	-1	1	324.385	-1.429	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)C[C@@H]1CCNC1=O	ZINC001379678830	922241436	/nfs/dbraw/zinc/24/14/36/922241436.db2.gz	JSGXALYROUADOQ-UWVGGRQHSA-N	-1	1	324.385	-1.429	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@]1(C)CCC(=O)N1	ZINC001379747752	922246354	/nfs/dbraw/zinc/24/63/54/922246354.db2.gz	XCLVBIJOYHMKPF-XPTSAGLGSA-N	-1	1	324.385	-1.286	20	0		DAADMM
Cn1cc(CC(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)cn1	ZINC001379954492	922298942	/nfs/dbraw/zinc/29/89/42/922298942.db2.gz	OYVKUWUDZNJPFD-LLVKDONJSA-N	-1	1	319.369	-1.225	20	0		DAADMM
CN1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001380556245	922389031	/nfs/dbraw/zinc/38/90/31/922389031.db2.gz	QUFAWCIKXMTKJS-QMTHXVAHSA-N	-1	1	324.385	-1.343	20	0		DAADMM
Cn1ncnc1CN1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001380589205	922406339	/nfs/dbraw/zinc/40/63/39/922406339.db2.gz	OHXONZOGGNBFIX-UHFFFAOYSA-N	-1	1	318.337	-1.108	20	0		DAADMM
CC(=O)N1CC(C(=O)N[C@@H](C)[C@H](C)NCc2n[nH]c(=O)[n-]2)C1	ZINC001381363968	922522395	/nfs/dbraw/zinc/52/23/95/922522395.db2.gz	OZSQSCFVQLWHFC-YUMQZZPRSA-N	-1	1	310.358	-1.029	20	0		DAADMM
CC(=O)N1CC(C(=O)N[C@H](C)[C@@H](C)NCc2n[nH]c(=O)[n-]2)C1	ZINC001381363961	922523947	/nfs/dbraw/zinc/52/39/47/922523947.db2.gz	OZSQSCFVQLWHFC-HTQZYQBOSA-N	-1	1	310.358	-1.029	20	0		DAADMM
CC(=O)N1CC(C(=O)N[C@@H](C)[C@@H](C)NCc2n[nH]c(=O)[n-]2)C1	ZINC001381363967	922524134	/nfs/dbraw/zinc/52/41/34/922524134.db2.gz	OZSQSCFVQLWHFC-SFYZADRCSA-N	-1	1	310.358	-1.029	20	0		DAADMM
C[C@@H](CNC(=O)c1cnnn1C)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001381511501	922530345	/nfs/dbraw/zinc/53/03/45/922530345.db2.gz	DONHQEGTYZPSKT-QMMMGPOBSA-N	-1	1	308.346	-1.513	20	0		DAADMM
C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001381540222	922532948	/nfs/dbraw/zinc/53/29/48/922532948.db2.gz	JWRXGXVUOFIPDC-ZJUUUORDSA-N	-1	1	324.385	-1.429	20	0		DAADMM
C[C@H](CNC(=O)[C@H]1CNC(=O)N1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001381565315	922534244	/nfs/dbraw/zinc/53/42/44/922534244.db2.gz	AXXDQGOSRUPOBC-HTQZYQBOSA-N	-1	1	311.346	-2.274	20	0		DAADMM
C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001381633088	922539562	/nfs/dbraw/zinc/53/95/62/922539562.db2.gz	WLNFHSAXDBDHML-BDAKNGLRSA-N	-1	1	310.358	-1.677	20	0		DAADMM
Cc1cc[nH]c1C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001382187746	922601778	/nfs/dbraw/zinc/60/17/78/922601778.db2.gz	JGIKZAMMKUGDQX-SECBINFHSA-N	-1	1	308.342	-1.375	20	0		DAADMM
Cc1cc[nH]c1C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001382187786	922602200	/nfs/dbraw/zinc/60/22/00/922602200.db2.gz	JGIKZAMMKUGDQX-VIFPVBQESA-N	-1	1	308.342	-1.375	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)[C@H]2CCCCO2)nc1=O	ZINC001382194931	922607777	/nfs/dbraw/zinc/60/77/77/922607777.db2.gz	DDCCNBISLKFXAB-NXEZZACHSA-N	-1	1	313.358	-1.756	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)C2(CCF)CC2)nc1=O	ZINC001382234802	922634270	/nfs/dbraw/zinc/63/42/70/922634270.db2.gz	YYFBSQFJPFQILC-VIFPVBQESA-N	-1	1	315.349	-1.185	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)c2nccs2)nc1=O	ZINC001382249304	922640820	/nfs/dbraw/zinc/64/08/20/922640820.db2.gz	CWJNDTGJEGHDQH-SSDOTTSWSA-N	-1	1	312.355	-1.555	20	0		DAADMM
CC(C)[C@@H](O)C(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001382395036	922718220	/nfs/dbraw/zinc/71/82/20/922718220.db2.gz	SFVHXOJSXUKUSD-WCBMZHEXSA-N	-1	1	301.347	-1.564	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)CC1(O)CCC1	ZINC001382410835	922728539	/nfs/dbraw/zinc/72/85/39/922728539.db2.gz	LGJCFNLDQOHEID-SECBINFHSA-N	-1	1	313.358	-1.276	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)CC1(O)CCC1	ZINC001382410838	922728561	/nfs/dbraw/zinc/72/85/61/922728561.db2.gz	LGJCFNLDQOHEID-VIFPVBQESA-N	-1	1	313.358	-1.276	20	0		DAADMM
Cc1nccc(C(=O)N(C)C[C@H](O)CNCc2n[nH]c(=O)[n-]2)n1	ZINC001382440595	922754735	/nfs/dbraw/zinc/75/47/35/922754735.db2.gz	IGGWYGQPEQOLRD-SECBINFHSA-N	-1	1	321.341	-1.169	20	0		DAADMM
Cc1nccc(C(=O)N(C)C[C@@H](O)CNCc2n[nH]c(=O)[n-]2)n1	ZINC001382440598	922755291	/nfs/dbraw/zinc/75/52/91/922755291.db2.gz	IGGWYGQPEQOLRD-VIFPVBQESA-N	-1	1	321.341	-1.169	20	0		DAADMM
CC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001384162265	923045411	/nfs/dbraw/zinc/04/54/11/923045411.db2.gz	NFDWMTQXQJJEJO-QMMMGPOBSA-N	-1	1	308.298	-2.013	20	0		DAADMM
CN(CCNC(=O)c1ncccc1[O-])C(=O)Cn1cnnn1	ZINC001386852875	923320972	/nfs/dbraw/zinc/32/09/72/923320972.db2.gz	STBYVXMAVVEMFC-UHFFFAOYSA-N	-1	1	305.298	-1.338	20	0		DAADMM
C[C@@H](CNC(=O)CCS(C)(=O)=O)NC(=O)c1cnn[nH]1	ZINC001386916088	923328115	/nfs/dbraw/zinc/32/81/15/923328115.db2.gz	HQBNPIBEFAVDBA-ZETCQYMHSA-N	-1	1	303.344	-1.526	20	0		DAADMM
C[C@@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@H]1CNC(=O)N1	ZINC001388431700	923480851	/nfs/dbraw/zinc/48/08/51/923480851.db2.gz	DZEMWKUTRYQFJC-RKDXNWHRSA-N	-1	1	321.337	-1.049	20	0		DAADMM
COCC(=O)N[C@@H](C)CNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001389283646	923594889	/nfs/dbraw/zinc/59/48/89/923594889.db2.gz	APBVRTDQWFTVIU-ZETCQYMHSA-N	-1	1	308.298	-1.702	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)CCCC(N)=O)C2)nc1=O	ZINC001389518414	923642469	/nfs/dbraw/zinc/64/24/69/923642469.db2.gz	FOCGVZXJCRCXDN-SECBINFHSA-N	-1	1	310.358	-1.546	20	0		DAADMM
CCn1nc(C(=O)NC[C@@H](C)NCc2n[nH]c(=O)[n-]2)ccc1=O	ZINC001390490806	923751395	/nfs/dbraw/zinc/75/13/95/923751395.db2.gz	RHWIYCAQIKSBCX-MRVPVSSYSA-N	-1	1	321.341	-1.005	20	0		DAADMM
COc1cc(C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)ncn1	ZINC001390756112	923774303	/nfs/dbraw/zinc/77/43/03/923774303.db2.gz	NANQDAPXEZCNJW-UHFFFAOYSA-N	-1	1	321.341	-1.231	20	0		DAADMM
CN(CCNC(=O)[C@@H]1CCC(=O)NC1)Cc1nc(=O)n(C)[n-]1	ZINC001390780165	923778145	/nfs/dbraw/zinc/77/81/45/923778145.db2.gz	QUDISFYXXKTSGD-SECBINFHSA-N	-1	1	310.358	-1.817	20	0		DAADMM
CN(CCNC(=O)[C@H]1CCC(=O)NC1)Cc1nc(=O)n(C)[n-]1	ZINC001390780169	923778441	/nfs/dbraw/zinc/77/84/41/923778441.db2.gz	QUDISFYXXKTSGD-VIFPVBQESA-N	-1	1	310.358	-1.817	20	0		DAADMM
CCN(CCNC(=O)[C@@H]1CNC(=O)N1)Cc1nc(=O)n(C)[n-]1	ZINC001390956135	923793771	/nfs/dbraw/zinc/79/37/71/923793771.db2.gz	HOZYCNXIXVRKOD-QMMMGPOBSA-N	-1	1	311.346	-2.272	20	0		DAADMM
CNC(=O)CN(C)C[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001391360467	923829565	/nfs/dbraw/zinc/82/95/65/923829565.db2.gz	QCLVCTICUKGCOL-QMMMGPOBSA-N	-1	1	324.341	-1.577	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CCn3cncn3)C2)nc1=O	ZINC001391405810	923832260	/nfs/dbraw/zinc/83/22/60/923832260.db2.gz	NKDPWHZDPDLKDK-UHFFFAOYSA-N	-1	1	306.330	-1.909	20	0		DAADMM
CCC(=O)N[C@H](C)C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001391423990	923835531	/nfs/dbraw/zinc/83/55/31/923835531.db2.gz	WDZJQZPIGNGOQO-MRVPVSSYSA-N	-1	1	310.358	-1.677	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)CNC(=O)CS(C)(=O)=O	ZINC001391881517	923883623	/nfs/dbraw/zinc/88/36/23/923883623.db2.gz	LHNYKCBDVNLSGZ-SSDOTTSWSA-N	-1	1	305.360	-1.603	20	0		DAADMM
CN(CCN(C)C(=O)C[C@@H]1CCNC1=O)Cc1nc(=O)n(C)[n-]1	ZINC001392280052	923956362	/nfs/dbraw/zinc/95/63/62/923956362.db2.gz	DOLISCIKCWDJQQ-JTQLQIEISA-N	-1	1	324.385	-1.475	20	0		DAADMM
C[C@@]1(C(=O)NC[C@@H](O)CNCc2n[nH]c(=O)[n-]2)CCCOC1	ZINC001392412577	924018943	/nfs/dbraw/zinc/01/89/43/924018943.db2.gz	WFGCDYXLLJNQEJ-TVQRCGJNSA-N	-1	1	313.358	-1.106	20	0		DAADMM
COCC(=O)N(C)CC(=O)N[C@@H](C)CNCc1n[nH]c(=O)[n-]1	ZINC001392561216	924049401	/nfs/dbraw/zinc/04/94/01/924049401.db2.gz	QHVKIBWCCRDBPT-QMMMGPOBSA-N	-1	1	314.346	-1.791	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1cnnn1C	ZINC001392655615	924063346	/nfs/dbraw/zinc/06/33/46/924063346.db2.gz	YCZRYZAOCYVVNB-MRVPVSSYSA-N	-1	1	308.346	-1.513	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1CCC(=O)NC1	ZINC001392679661	924066500	/nfs/dbraw/zinc/06/65/00/924066500.db2.gz	MYNAWDZHJZDZNS-NXEZZACHSA-N	-1	1	324.385	-1.429	20	0		DAADMM
CC(=O)N(C)CC(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001392989744	924104343	/nfs/dbraw/zinc/10/43/43/924104343.db2.gz	XIDXMWRAKNEAOI-UHFFFAOYSA-N	-1	1	310.358	-1.771	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)nc1=O	ZINC001393306634	924166017	/nfs/dbraw/zinc/16/60/17/924166017.db2.gz	GOAYAPLDWDMWEM-IAZYJMLFSA-N	-1	1	321.381	-1.183	20	0		DAADMM
Cc1cocc1C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001393330482	924179372	/nfs/dbraw/zinc/17/93/72/924179372.db2.gz	ABEIIALMXXAVBP-UHFFFAOYSA-N	-1	1	321.337	-1.013	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)c3cccnn3)C2)nc1=O	ZINC001393340374	924181200	/nfs/dbraw/zinc/18/12/00/924181200.db2.gz	ADSDEKFLKNPNKF-UHFFFAOYSA-N	-1	1	319.325	-2.125	20	0		DAADMM
C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001394079310	924278836	/nfs/dbraw/zinc/27/88/36/924278836.db2.gz	MJWQVNVLGMPBKR-NXEZZACHSA-N	-1	1	324.385	-1.286	20	0		DAADMM
Cc1cnc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)cn1	ZINC001394567127	924308287	/nfs/dbraw/zinc/30/82/87/924308287.db2.gz	AIOPXEFDKOLPTR-VIFPVBQESA-N	-1	1	321.341	-1.913	20	0		DAADMM
O=C(NC[C@H](CO)NCc1cc(=O)n2[n-]ccc2n1)C(F)F	ZINC001394563216	924309116	/nfs/dbraw/zinc/30/91/16/924309116.db2.gz	JUDICKJXYYYACC-MRVPVSSYSA-N	-1	1	315.280	-1.146	20	0		DAADMM
Cc1cc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)n(C)n1	ZINC001394572327	924311994	/nfs/dbraw/zinc/31/19/94/924311994.db2.gz	LHJGPPIEQCYNFX-VIFPVBQESA-N	-1	1	323.357	-1.969	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)C2CC(F)(F)C2)nc1=O	ZINC001394577224	924316448	/nfs/dbraw/zinc/31/64/48/924316448.db2.gz	HIDYWCDJZSPJKX-QMMMGPOBSA-N	-1	1	319.312	-1.280	20	0		DAADMM
Cn1cnnc1CN[C@H](CO)CNC(=O)c1ncccc1[O-]	ZINC001394585199	924322899	/nfs/dbraw/zinc/32/28/99/924322899.db2.gz	NEACXWBVJYCGBM-VIFPVBQESA-N	-1	1	306.326	-1.204	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)C2(F)CCCC2)nc1=O	ZINC001394602404	924332240	/nfs/dbraw/zinc/33/22/40/924332240.db2.gz	HNXWINBBLXJBJK-VIFPVBQESA-N	-1	1	315.349	-1.043	20	0		DAADMM
O=C(CCc1n[nH]c(=O)[n-]c1=O)NC[C@@H](CO)NCCF	ZINC001394610146	924337513	/nfs/dbraw/zinc/33/75/13/924337513.db2.gz	VSWXQTDBJIXWSU-ZETCQYMHSA-N	-1	1	303.294	-1.748	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1cnccn1	ZINC001394728645	924365266	/nfs/dbraw/zinc/36/52/66/924365266.db2.gz	OJIYCUQPYPMXBH-MRVPVSSYSA-N	-1	1	307.314	-1.477	20	0		DAADMM
CC[C@@H]1[C@@H](NC(=O)CNC(C)=O)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001397173577	924561398	/nfs/dbraw/zinc/56/13/98/924561398.db2.gz	IUDKIYJYIZIDPS-WDEREUQCSA-N	-1	1	324.385	-1.286	20	0		DAADMM
CN1C[C@@H](C(=O)NC[C@H](NCc2n[nH]c(=O)[n-]2)C2CC2)NC1=O	ZINC001398439726	924642735	/nfs/dbraw/zinc/64/27/35/924642735.db2.gz	SBYNKPVUDKFXPA-IUCAKERBSA-N	-1	1	323.357	-1.482	20	0		DAADMM
C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)NCc1n[nH]c(=O)[n-]1	ZINC001398948723	924680747	/nfs/dbraw/zinc/68/07/47/924680747.db2.gz	LYMRXIRULLIJTO-ZETCQYMHSA-N	-1	1	307.314	-1.488	20	0		DAADMM
C[C@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)NCc1n[nH]c(=O)[n-]1	ZINC001398962774	924682911	/nfs/dbraw/zinc/68/29/11/924682911.db2.gz	RGILOTXMAJNDFM-BDAKNGLRSA-N	-1	1	310.358	-1.027	20	0		DAADMM
C[C@@H](O)CN(C)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC001399609256	924712249	/nfs/dbraw/zinc/71/22/49/924712249.db2.gz	PWVOFVSGXXDFEA-SECBINFHSA-N	-1	1	308.342	-1.500	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](CNC(=O)Cn3cccn3)C2)nc1=O	ZINC001399903482	924756768	/nfs/dbraw/zinc/75/67/68/924756768.db2.gz	VRGFBJSHPFNREQ-LLVKDONJSA-N	-1	1	319.369	-1.057	20	0		DAADMM
O=C(Cn1cnnn1)NCC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001400152088	924774040	/nfs/dbraw/zinc/77/40/40/924774040.db2.gz	TYCHXZGZWQSFNL-SECBINFHSA-N	-1	1	321.345	-1.475	20	0		DAADMM
CC(=O)NCC(=O)NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001400133091	924774557	/nfs/dbraw/zinc/77/45/57/924774557.db2.gz	NHQGYCPLXYQTGC-JTQLQIEISA-N	-1	1	310.358	-1.025	20	0		DAADMM
Cn1nnc(C(=O)NCC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)n1	ZINC001400183078	924776124	/nfs/dbraw/zinc/77/61/24/924776124.db2.gz	ZNBMZXVJYCCIOS-MRVPVSSYSA-N	-1	1	321.345	-1.324	20	0		DAADMM
CC[C@H](CNC(=O)[C@H]1CN(C)CCO1)NCc1n[nH]c(=O)[n-]1	ZINC001400794091	924832700	/nfs/dbraw/zinc/83/27/00/924832700.db2.gz	LALBKLLMOCTZHD-NXEZZACHSA-N	-1	1	312.374	-1.175	20	0		DAADMM
CNC(=O)NCCC(=O)N(C)[C@H](C)CNCc1n[nH]c(=O)[n-]1	ZINC001401213118	924851083	/nfs/dbraw/zinc/85/10/83/924851083.db2.gz	PAHUCNFYMQVPQO-MRVPVSSYSA-N	-1	1	313.362	-1.234	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1CCS(=O)(=O)C1	ZINC001401640600	924909176	/nfs/dbraw/zinc/90/91/76/924909176.db2.gz	QHLDASGRJPUYGF-SFYZADRCSA-N	-1	1	317.371	-1.461	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cn(C)c(=O)n1C	ZINC001401676642	924911961	/nfs/dbraw/zinc/91/19/61/924911961.db2.gz	XBSYUGAONVVKEQ-SSDOTTSWSA-N	-1	1	309.330	-1.544	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1cnn(C)n1	ZINC001401800140	924922379	/nfs/dbraw/zinc/92/23/79/924922379.db2.gz	FBQJHSBVOLUVNP-MRVPVSSYSA-N	-1	1	308.346	-1.513	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)Cn2cccn2)nc1=O	ZINC001401875395	924927680	/nfs/dbraw/zinc/92/76/80/924927680.db2.gz	QGQDKYVHZUEQGV-SNVBAGLBSA-N	-1	1	305.342	-1.304	20	0		DAADMM
O=C(NCC1(O)CN(CCO)C1)c1cnc(C2CC2)[n-]c1=O	ZINC001402353176	924985038	/nfs/dbraw/zinc/98/50/38/924985038.db2.gz	GRHMQYMURFVMGI-UHFFFAOYSA-N	-1	1	308.338	-1.172	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)Cn3ccnc3)C2)nc1=O	ZINC001402376705	924991598	/nfs/dbraw/zinc/99/15/98/924991598.db2.gz	BVCVWCDZXXCBHF-UHFFFAOYSA-N	-1	1	321.341	-2.332	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@](CO)(NC(=O)C(F)F)C2)nc1=O	ZINC001402438185	924996805	/nfs/dbraw/zinc/99/68/05/924996805.db2.gz	RHZHATRTLKCTJK-GFCCVEGCSA-N	-1	1	319.312	-1.183	20	0		DAADMM
CN1CCO[C@@H](C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CCC2)C1	ZINC001402545630	925010540	/nfs/dbraw/zinc/01/05/40/925010540.db2.gz	MOEBJYDWJFOODW-SNVBAGLBSA-N	-1	1	324.385	-1.031	20	0		DAADMM
CCOCC(=O)N1CCC(O)(CNCc2n[nH]c(=O)[n-]2)CC1	ZINC001402780956	925028493	/nfs/dbraw/zinc/02/84/93/925028493.db2.gz	GCLMRGUDYSOFRS-UHFFFAOYSA-N	-1	1	313.358	-1.010	20	0		DAADMM
CCn1cc(C(=O)NC[C@H](C)N(C)Cc2nc(=O)n(C)[n-]2)nn1	ZINC001403207081	925061532	/nfs/dbraw/zinc/06/15/32/925061532.db2.gz	XBNCPBRBBKRNEN-VIFPVBQESA-N	-1	1	322.373	-1.030	20	0		DAADMM
CN(C(=O)[C@H]1COC(=O)N1)[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001403498077	925082035	/nfs/dbraw/zinc/08/20/35/925082035.db2.gz	YRIXWQGMBHNQGI-BDAKNGLRSA-N	-1	1	324.341	-1.055	20	0		DAADMM
CC(=O)N1CC(C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)C1	ZINC001403542719	925083253	/nfs/dbraw/zinc/08/32/53/925083253.db2.gz	PXQZEIPNEUNVLC-UHFFFAOYSA-N	-1	1	310.358	-1.865	20	0		DAADMM
COc1nccc(C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)n1	ZINC001403619917	925089562	/nfs/dbraw/zinc/08/95/62/925089562.db2.gz	AIOXCGBONOQKAY-UHFFFAOYSA-N	-1	1	321.341	-1.231	20	0		DAADMM
COc1nc(C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)co1	ZINC001403649324	925096615	/nfs/dbraw/zinc/09/66/15/925096615.db2.gz	VGHBZFJALUDVCU-UHFFFAOYSA-N	-1	1	310.314	-1.033	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)CC(F)(F)F)nc1=O	ZINC001403652530	925099196	/nfs/dbraw/zinc/09/91/96/925099196.db2.gz	QROJQAATZVTKRC-ZCFIWIBFSA-N	-1	1	311.264	-1.373	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)COC(C)(C)C)nc1=O	ZINC001403652895	925099381	/nfs/dbraw/zinc/09/93/81/925099381.db2.gz	IGHUMHLHSLSPEI-SECBINFHSA-N	-1	1	315.374	-1.510	20	0		DAADMM
CCc1oncc1C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001403699443	925120093	/nfs/dbraw/zinc/12/00/93/925120093.db2.gz	JFSHJSMDKMHZRN-MRVPVSSYSA-N	-1	1	324.341	-1.461	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)[C@@H]2CC23CCC3)nc1=O	ZINC001403705904	925123128	/nfs/dbraw/zinc/12/31/28/925123128.db2.gz	UCUNPZAEOIUHJE-UWVGGRQHSA-N	-1	1	309.370	-1.135	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1ccnnc1	ZINC001403885983	925164687	/nfs/dbraw/zinc/16/46/87/925164687.db2.gz	ZBYSMMKJAKACKJ-SECBINFHSA-N	-1	1	307.314	-1.477	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)Cc1ccc[nH]1	ZINC001403886646	925165289	/nfs/dbraw/zinc/16/52/89/925165289.db2.gz	VOOSKPSSDHFUFM-SNVBAGLBSA-N	-1	1	308.342	-1.010	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@@H](O)CN(C)C(=O)c1ncc[nH]1	ZINC001403899955	925166791	/nfs/dbraw/zinc/16/67/91/925166791.db2.gz	PYXBVFNRVHQWHQ-SECBINFHSA-N	-1	1	323.357	-1.604	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@H](O)CN(C)C(=O)c1ncc[nH]1	ZINC001403899982	925168783	/nfs/dbraw/zinc/16/87/83/925168783.db2.gz	PYXBVFNRVHQWHQ-VIFPVBQESA-N	-1	1	323.357	-1.604	20	0		DAADMM
CCC(=O)NCC(=O)N[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001404679328	925209623	/nfs/dbraw/zinc/20/96/23/925209623.db2.gz	JQSPWAKUPLLPMG-SNVBAGLBSA-N	-1	1	324.385	-1.285	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H](NC(=O)CCCC(N)=O)C2)nc1=O	ZINC001404706971	925210004	/nfs/dbraw/zinc/21/00/04/925210004.db2.gz	FZHVLQWZFLNZHY-JTQLQIEISA-N	-1	1	324.385	-1.155	20	0		DAADMM
C[C@@H](CN1CCOCC1)C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001404840047	925219038	/nfs/dbraw/zinc/21/90/38/925219038.db2.gz	TWVFEFSRBRLLJD-JTQLQIEISA-N	-1	1	324.385	-1.221	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)CCn3cnnn3)C2)nc1=O	ZINC001405068007	925237815	/nfs/dbraw/zinc/23/78/15/925237815.db2.gz	PVTDICAQNJKRBS-SECBINFHSA-N	-1	1	321.345	-2.124	20	0		DAADMM
CN(C(=O)CCCC(N)=O)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001405152741	925243239	/nfs/dbraw/zinc/24/32/39/925243239.db2.gz	VYPWPMOEECAUDB-JTQLQIEISA-N	-1	1	324.385	-1.203	20	0		DAADMM
O=C(Cn1cccn1)NC[C@H](CO)NC(=O)c1ncccc1[O-]	ZINC001405217960	925254601	/nfs/dbraw/zinc/25/46/01/925254601.db2.gz	GWZURIRNBZBIRR-SNVBAGLBSA-N	-1	1	319.321	-1.109	20	0		DAADMM
CCOCC(=O)NC[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CCO1	ZINC001405733662	925334196	/nfs/dbraw/zinc/33/41/96/925334196.db2.gz	QWPDHUBWVMCHEK-JTQLQIEISA-N	-1	1	313.358	-1.538	20	0		DAADMM
C[C@H](CNCc1nccn1C)NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001406415313	925414392	/nfs/dbraw/zinc/41/43/92/925414392.db2.gz	OTACTYGCSDNYRA-MRVPVSSYSA-N	-1	1	309.330	-1.283	20	0		DAADMM
CCN1C[C@H](C(=O)N[C@@H](C)CNCc2n[nH]c(=O)[n-]2)CC1=O	ZINC001406475194	925416939	/nfs/dbraw/zinc/41/69/39/925416939.db2.gz	QINDMRALDDSQJT-DTWKUNHWSA-N	-1	1	310.358	-1.027	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)Cn1ccccc1=O	ZINC001406561108	925422621	/nfs/dbraw/zinc/42/26/21/925422621.db2.gz	PGUURDRKVSEBHJ-VIFPVBQESA-N	-1	1	306.326	-1.034	20	0		DAADMM
Cn1ncc(C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)n1	ZINC001406787979	925432077	/nfs/dbraw/zinc/43/20/77/925432077.db2.gz	MTWSFHYJPJJOGF-MRVPVSSYSA-N	-1	1	306.330	-1.063	20	0		DAADMM
CN1CCO[C@@H](C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)C1	ZINC001406760857	925432091	/nfs/dbraw/zinc/43/20/91/925432091.db2.gz	YOFNIWCCMWXTCN-WDEREUQCSA-N	-1	1	324.385	-1.175	20	0		DAADMM
C[C@H](C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)n1cncn1	ZINC001406854354	925438787	/nfs/dbraw/zinc/43/87/87/925438787.db2.gz	NWHOZWKRQWSIKH-NXEZZACHSA-N	-1	1	320.357	-1.348	20	0		DAADMM
CCO[C@@H](C)C(=O)NCC1(O)CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001407391370	925477836	/nfs/dbraw/zinc/47/78/36/925477836.db2.gz	XVNLVEZMTRSCAJ-VIFPVBQESA-N	-1	1	313.358	-1.804	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)Cc3cnoc3)C2)nc1=O	ZINC001407423173	925490282	/nfs/dbraw/zinc/49/02/82/925490282.db2.gz	VARLHWPOAPXBCZ-UHFFFAOYSA-N	-1	1	322.325	-1.998	20	0		DAADMM
C[C@H](C(=O)NCC[C@H](C)NCc1n[nH]c(=O)[n-]1)S(C)(=O)=O	ZINC001408204012	925556009	/nfs/dbraw/zinc/55/60/09/925556009.db2.gz	HLRCBEJZKLLPOE-JGVFFNPUSA-N	-1	1	319.387	-1.072	20	0		DAADMM
C[C@H](CNC(=O)Cn1cccn1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001409488409	925635615	/nfs/dbraw/zinc/63/56/15/925635615.db2.gz	DFYFGEQNKMINJG-SNVBAGLBSA-N	-1	1	307.358	-1.058	20	0		DAADMM
C[C@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001409529692	925635925	/nfs/dbraw/zinc/63/59/25/925635925.db2.gz	WLNFHSAXDBDHML-RKDXNWHRSA-N	-1	1	310.358	-1.677	20	0		DAADMM
Cn1[n-]c(CN2CC(CCO)(NC(=O)c3ncc[nH]3)C2)nc1=O	ZINC001409704957	925646145	/nfs/dbraw/zinc/64/61/45/925646145.db2.gz	JKKGNBNMFVYHPV-UHFFFAOYSA-N	-1	1	321.341	-1.802	20	0		DAADMM
C[C@@H](C(N)=O)N1CC(CCO)(NC(=O)c2ncccc2[O-])C1	ZINC001409714369	925646986	/nfs/dbraw/zinc/64/69/86/925646986.db2.gz	XZLNRKQBXSTXDG-VIFPVBQESA-N	-1	1	308.338	-1.172	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)N[C@@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001409848118	925653651	/nfs/dbraw/zinc/65/36/51/925653651.db2.gz	IREVAPQRGDDAGE-DTWKUNHWSA-N	-1	1	324.385	-1.431	20	0		DAADMM
C[C@@H](CN(C)C(=O)CCS(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001410392408	925714787	/nfs/dbraw/zinc/71/47/87/925714787.db2.gz	KMVOPLNIUQSCAW-QMMMGPOBSA-N	-1	1	319.387	-1.119	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)nc1=O	ZINC001410584864	925735362	/nfs/dbraw/zinc/73/53/62/925735362.db2.gz	CZKPDCBBKSZCPQ-UXCLJVHYSA-N	-1	1	309.370	-1.279	20	0		DAADMM
CC(C)[C@@H](O)C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001410627399	925742733	/nfs/dbraw/zinc/74/27/33/925742733.db2.gz	GPAAVMFROVSRDQ-PSASIEDQSA-N	-1	1	301.347	-2.308	20	0		DAADMM
Cc1ncc(CC(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)o1	ZINC001410661063	925752620	/nfs/dbraw/zinc/75/26/20/925752620.db2.gz	SBLNAIKKGXHGJV-SECBINFHSA-N	-1	1	324.341	-1.786	20	0		DAADMM
CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1ccnn1C	ZINC001410969527	925796583	/nfs/dbraw/zinc/79/65/83/925796583.db2.gz	CQTXXXFBUMHXPH-MRVPVSSYSA-N	-1	1	309.330	-1.534	20	0		DAADMM
CC(C)OCC(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001410971951	925797747	/nfs/dbraw/zinc/79/77/47/925797747.db2.gz	FMBFESLLYNPXFI-VIFPVBQESA-N	-1	1	301.347	-1.156	20	0		DAADMM
Cc1ncc(C(=O)N(C)C[C@@H](O)CNCc2n[nH]c(=O)[n-]2)n1C	ZINC001411096588	925811699	/nfs/dbraw/zinc/81/16/99/925811699.db2.gz	RDFRQCITTRNBDE-VIFPVBQESA-N	-1	1	323.357	-1.225	20	0		DAADMM
O=C(CNS(=O)(=O)c1ccccc1F)NCc1nn[n-]n1	ZINC001411752071	925854363	/nfs/dbraw/zinc/85/43/63/925854363.db2.gz	IHWDAZWHTUXIEL-UHFFFAOYSA-N	-1	1	314.302	-1.067	20	0		DAADMM
CCn1nc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)ccc1=O	ZINC001411778953	925857307	/nfs/dbraw/zinc/85/73/07/925857307.db2.gz	PZOBJFPZLSJDOT-VIFPVBQESA-N	-1	1	305.298	-1.010	20	0		DAADMM
O=C(c1cnn(C[C@H](O)CO)c1)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC001411940725	925862669	/nfs/dbraw/zinc/86/26/69/925862669.db2.gz	VODHBPWWJZRAEA-KOLCDFICSA-N	-1	1	321.341	-1.231	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N1CC[C@@H](CO)[C@@H](O)C1	ZINC001412018155	925867568	/nfs/dbraw/zinc/86/75/68/925867568.db2.gz	VAAIENAUHFHJPI-ONGXEEELSA-N	-1	1	309.322	-1.281	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N1CC[C@H](CO)[C@@H](O)C1	ZINC001412018148	925867914	/nfs/dbraw/zinc/86/79/14/925867914.db2.gz	VAAIENAUHFHJPI-KOLCDFICSA-N	-1	1	309.322	-1.281	20	0		DAADMM
O=C(CNC(=O)N1CCCC1)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001412057892	925870372	/nfs/dbraw/zinc/87/03/72/925870372.db2.gz	PXEDCWQXTHQCJT-UHFFFAOYSA-N	-1	1	323.357	-1.185	20	0		DAADMM
C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC001412058118	925870470	/nfs/dbraw/zinc/87/04/70/925870470.db2.gz	MDQBVOTXSDKUKX-HTQZYQBOSA-N	-1	1	302.360	-1.157	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](O)[C@@H](CO)C2)co1	ZINC001412221464	925881171	/nfs/dbraw/zinc/88/11/71/925881171.db2.gz	NGPGZMCVFAWETA-BDAKNGLRSA-N	-1	1	304.324	-1.387	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](CO)[C@H](O)C2)co1	ZINC001412221504	925881713	/nfs/dbraw/zinc/88/17/13/925881713.db2.gz	NGPGZMCVFAWETA-RKDXNWHRSA-N	-1	1	304.324	-1.387	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](O)[C@H](CO)C2)co1	ZINC001412221491	925881782	/nfs/dbraw/zinc/88/17/82/925881782.db2.gz	NGPGZMCVFAWETA-IUCAKERBSA-N	-1	1	304.324	-1.387	20	0		DAADMM
CSCC[C@H](NC(=O)CN1CCOCC1=O)c1nn[n-]n1	ZINC001412372648	925888029	/nfs/dbraw/zinc/88/80/29/925888029.db2.gz	YGJGBPMKSBXJJN-QMMMGPOBSA-N	-1	1	314.371	-1.031	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@@H]2CO)o1	ZINC001412377403	925890026	/nfs/dbraw/zinc/89/00/26/925890026.db2.gz	GPANGAIKJGZGSL-SECBINFHSA-N	-1	1	317.367	-1.064	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@H]2CO)o1	ZINC001412377405	925890125	/nfs/dbraw/zinc/89/01/25/925890125.db2.gz	GPANGAIKJGZGSL-VIFPVBQESA-N	-1	1	317.367	-1.064	20	0		DAADMM
C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)c1nn[n-]n1	ZINC001412378038	925890412	/nfs/dbraw/zinc/89/04/12/925890412.db2.gz	UOCFEMTVBSYSMS-LURJTMIESA-N	-1	1	314.331	-1.737	20	0		DAADMM
O=C(C[C@H]1CCS(=O)(=O)C1)N1CCOC[C@H]1c1nn[n-]n1	ZINC001412429328	925896048	/nfs/dbraw/zinc/89/60/48/925896048.db2.gz	DGNPCGHUOJSWNG-BDAKNGLRSA-N	-1	1	315.355	-1.076	20	0		DAADMM
CS(=O)(=O)NC[C@H]1CCCN(C(=O)CCc2nn[n-]n2)C1	ZINC001412429894	925896579	/nfs/dbraw/zinc/89/65/79/925896579.db2.gz	NTLMZNLTWGLIBB-SECBINFHSA-N	-1	1	316.387	-1.080	20	0		DAADMM
CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001412429255	925896861	/nfs/dbraw/zinc/89/68/61/925896861.db2.gz	CVHXMTZJRNCZHP-HTQZYQBOSA-N	-1	1	318.359	-1.573	20	0		DAADMM
CCS(=O)(=O)N(C)CC(=O)NC1(c2nn[n-]n2)CCC1	ZINC001412540279	925909075	/nfs/dbraw/zinc/90/90/75/925909075.db2.gz	JYTBOFTXPSBOOK-UHFFFAOYSA-N	-1	1	302.360	-1.023	20	0		DAADMM
CN(CC(=O)N1CCC(O)(c2nn[n-]n2)CC1)S(C)(=O)=O	ZINC001412902158	925979672	/nfs/dbraw/zinc/97/96/72/925979672.db2.gz	RBORICZGAVPZKS-UHFFFAOYSA-N	-1	1	318.359	-2.099	20	0		DAADMM
CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001413276786	926026826	/nfs/dbraw/zinc/02/68/26/926026826.db2.gz	QBGIRCAZFIOLLO-ZCFIWIBFSA-N	-1	1	304.328	-1.711	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCS(=O)(=O)CC2)[n-]n1	ZINC001413295050	926029868	/nfs/dbraw/zinc/02/98/68/926029868.db2.gz	QHMDFBACNLQLLF-UHFFFAOYSA-N	-1	1	323.352	-1.385	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCS(=O)(=O)CC2)n[n-]1	ZINC001413295050	926029878	/nfs/dbraw/zinc/02/98/78/926029878.db2.gz	QHMDFBACNLQLLF-UHFFFAOYSA-N	-1	1	323.352	-1.385	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@H](CO)O[C@@H](C)C2)[n-]n1	ZINC001413324896	926035153	/nfs/dbraw/zinc/03/51/53/926035153.db2.gz	GFCYXSKZNRNEPP-JGVFFNPUSA-N	-1	1	319.339	-1.033	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@H](CO)O[C@@H](C)C2)n[n-]1	ZINC001413324896	926035159	/nfs/dbraw/zinc/03/51/59/926035159.db2.gz	GFCYXSKZNRNEPP-JGVFFNPUSA-N	-1	1	319.339	-1.033	20	0		DAADMM
CNC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@H](OC)[C@@H]1CCOC1	ZINC001413331276	926036195	/nfs/dbraw/zinc/03/61/95/926036195.db2.gz	VZNWODJIERNWJH-UTLUCORTSA-N	-1	1	310.372	-1.936	20	0		DAADMM
O=C(CN1CCNC(=O)C1)N[C@H](c1nn[n-]n1)c1ccccc1	ZINC001413326968	926036280	/nfs/dbraw/zinc/03/62/80/926036280.db2.gz	CAACOKIBKIMHPQ-ZDUSSCGKSA-N	-1	1	315.337	-1.163	20	0		DAADMM
CN(C)S(=O)(=O)N1CC(NC(=O)CCCc2nn[n-]n2)C1	ZINC001413367034	926044563	/nfs/dbraw/zinc/04/45/63/926044563.db2.gz	MBAVMHAFKSZTPV-UHFFFAOYSA-N	-1	1	317.375	-1.871	20	0		DAADMM
CC(C)S(=O)(=O)CC(=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001413388190	926047529	/nfs/dbraw/zinc/04/75/29/926047529.db2.gz	PHOANXBNIKGDAV-QMMMGPOBSA-N	-1	1	303.344	-1.077	20	0		DAADMM
NC(=O)c1cccc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)n1	ZINC001413390359	926048218	/nfs/dbraw/zinc/04/82/18/926048218.db2.gz	WVKVMBINIWGVLX-VIFPVBQESA-N	-1	1	303.282	-1.093	20	0		DAADMM
COC[C@@H](CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1O)OC	ZINC001413412366	926049545	/nfs/dbraw/zinc/04/95/45/926049545.db2.gz	ZNSDADPLUFXLPG-DJLDLDEBSA-N	-1	1	317.385	-2.275	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@H](CO)[C@H](CO)C2)[n-]n1	ZINC001413419337	926051157	/nfs/dbraw/zinc/05/11/57/926051157.db2.gz	OSGGXTMQNBGYCM-OCAPTIKFSA-N	-1	1	319.339	-1.582	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@H](CO)[C@H](CO)C2)n[n-]1	ZINC001413419337	926051165	/nfs/dbraw/zinc/05/11/65/926051165.db2.gz	OSGGXTMQNBGYCM-OCAPTIKFSA-N	-1	1	319.339	-1.582	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](O)[C@@H](O)C2)o1	ZINC001413420984	926052249	/nfs/dbraw/zinc/05/22/49/926052249.db2.gz	ASIXRCAJOTZVJP-SFYZADRCSA-N	-1	1	304.324	-1.245	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2CC23CC(O)C3)c(=O)n(C)c1=O	ZINC001413449047	926055617	/nfs/dbraw/zinc/05/56/17/926055617.db2.gz	RVSKYSIIKVSVSZ-QAHKDPLZSA-N	-1	1	315.351	-1.724	20	0		DAADMM
COC(=O)[C@H](CC1OCCO1)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC001413485200	926058678	/nfs/dbraw/zinc/05/86/78/926058678.db2.gz	QTLCWTXTCDAUKU-BDAKNGLRSA-N	-1	1	309.340	-1.001	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N1CC(NC2COC2)C1	ZINC001413728190	926071931	/nfs/dbraw/zinc/07/19/31/926071931.db2.gz	IFYVWVGOKOEUDW-UHFFFAOYSA-N	-1	1	306.322	-1.284	20	0		DAADMM
C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)c1nncn1C	ZINC001414194416	926108761	/nfs/dbraw/zinc/10/87/61/926108761.db2.gz	IRZOFZDECQRNEP-ZCFIWIBFSA-N	-1	1	314.327	-1.346	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCc2nncn2C)[n-]n1	ZINC001414232958	926110916	/nfs/dbraw/zinc/11/09/16/926110916.db2.gz	KXSXIVMRMBBVNA-UHFFFAOYSA-N	-1	1	300.300	-1.197	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NCc2nncn2C)n[n-]1	ZINC001414232958	926110923	/nfs/dbraw/zinc/11/09/23/926110923.db2.gz	KXSXIVMRMBBVNA-UHFFFAOYSA-N	-1	1	300.300	-1.197	20	0		DAADMM
NC(=O)C1=NO[C@@H](C[N-]S(=O)(=O)c2c[nH]nc2Cl)C1	ZINC001414245894	926112822	/nfs/dbraw/zinc/11/28/22/926112822.db2.gz	GFEZYUFYPLMVIJ-SCSAIBSYSA-N	-1	1	307.719	-1.028	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@H]2C(=O)NCC[C@@H]2C)[n-]n1	ZINC001414247752	926112879	/nfs/dbraw/zinc/11/28/79/926112879.db2.gz	IGROKQTVGOOVNI-RCOVLWMOSA-N	-1	1	316.339	-1.001	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@H]2C(=O)NCC[C@@H]2C)n[n-]1	ZINC001414247752	926112887	/nfs/dbraw/zinc/11/28/87/926112887.db2.gz	IGROKQTVGOOVNI-RCOVLWMOSA-N	-1	1	316.339	-1.001	20	0		DAADMM
NC(=O)C1=NO[C@H](C[N-]S(=O)(=O)c2c[nH]nc2Cl)C1	ZINC001414245887	926113452	/nfs/dbraw/zinc/11/34/52/926113452.db2.gz	GFEZYUFYPLMVIJ-BYPYZUCNSA-N	-1	1	307.719	-1.028	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(C)[C@]2(CO)CCOC2)[n-]n1	ZINC001414272197	926114013	/nfs/dbraw/zinc/11/40/13/926114013.db2.gz	UKSFRRBXJPZLSJ-NSHDSACASA-N	-1	1	319.339	-1.032	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N(C)[C@]2(CO)CCOC2)n[n-]1	ZINC001414272197	926114021	/nfs/dbraw/zinc/11/40/21/926114021.db2.gz	UKSFRRBXJPZLSJ-NSHDSACASA-N	-1	1	319.339	-1.032	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCO[C@@H]([C@@H](C)O)C2)[n-]n1	ZINC001414278567	926116355	/nfs/dbraw/zinc/11/63/55/926116355.db2.gz	QFRKZBQHCXTYJJ-VXNVDRBHSA-N	-1	1	319.339	-1.033	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2CCO[C@@H]([C@@H](C)O)C2)n[n-]1	ZINC001414278567	926116360	/nfs/dbraw/zinc/11/63/60/926116360.db2.gz	QFRKZBQHCXTYJJ-VXNVDRBHSA-N	-1	1	319.339	-1.033	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)nc1=O	ZINC001415121478	926162296	/nfs/dbraw/zinc/16/22/96/926162296.db2.gz	ZVWNMUUOKWYDEG-QMMMGPOBSA-N	-1	1	310.314	-2.139	20	0		DAADMM
C[C@H](C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1)n1cncn1	ZINC001415821321	926204723	/nfs/dbraw/zinc/20/47/23/926204723.db2.gz	KOCOVIPRSTUJDQ-SNVBAGLBSA-N	-1	1	320.357	-1.395	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)c3cnccn3)CC2)nc1=O	ZINC001415809468	926204911	/nfs/dbraw/zinc/20/49/11/926204911.db2.gz	KKINOUXPZXBLKI-UHFFFAOYSA-N	-1	1	303.326	-1.144	20	0		DAADMM
Cn1nncc1C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001415831663	926205003	/nfs/dbraw/zinc/20/50/03/926205003.db2.gz	TYUNDJSZJGSUKZ-UHFFFAOYSA-N	-1	1	306.330	-1.805	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@H]3CN(C)CCO3)CC2)nc1=O	ZINC001415817485	926205975	/nfs/dbraw/zinc/20/59/75/926205975.db2.gz	LQDSHYWQLNDFIZ-LLVKDONJSA-N	-1	1	324.385	-1.917	20	0		DAADMM
O=C(CC1CS(=O)(=O)C1)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001417636361	926322937	/nfs/dbraw/zinc/32/29/37/926322937.db2.gz	XQSHBZJXNKPVPO-QMMMGPOBSA-N	-1	1	301.328	-1.466	20	0		DAADMM
C[C@@H](CN(C)C(=O)c1cn(CC(=O)N(C)C)nn1)c1nn[n-]n1	ZINC001417705144	926330438	/nfs/dbraw/zinc/33/04/38/926330438.db2.gz	RPROTWBLNOSVKL-QMMMGPOBSA-N	-1	1	321.345	-1.245	20	0		DAADMM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H](CO)CN1CCCC1	ZINC001417884807	926344599	/nfs/dbraw/zinc/34/45/99/926344599.db2.gz	BMANUQIKMATFOB-SNVBAGLBSA-N	-1	1	320.353	-1.356	20	0		DAADMM
O=C(CN1CCOCC1)NC[C@@H](NCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001417971807	926355483	/nfs/dbraw/zinc/35/54/83/926355483.db2.gz	GWXUYBMCROMOQU-LLVKDONJSA-N	-1	1	324.385	-1.173	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])NCCn1cnccc1=O	ZINC001418161010	926368573	/nfs/dbraw/zinc/36/85/73/926368573.db2.gz	JRTZCXFNPWSLFR-UHFFFAOYSA-N	-1	1	317.305	-1.110	20	0		DAADMM
CN(CCNC(=O)c1cccn(C)c1=O)Cc1nc(=O)n(C)[n-]1	ZINC001418512748	926399865	/nfs/dbraw/zinc/39/98/65/926399865.db2.gz	CXIHGYZKTOTPAV-UHFFFAOYSA-N	-1	1	320.353	-1.331	20	0		DAADMM
O=C(NCC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1COC(=O)N1	ZINC001418888496	926428148	/nfs/dbraw/zinc/42/81/48/926428148.db2.gz	NEKRONJTYQQGQE-RKDXNWHRSA-N	-1	1	324.341	-1.053	20	0		DAADMM
O=C(CNC(=O)c1ccncc1)N1CCOC[C@H]1c1nn[n-]n1	ZINC001418863763	926428291	/nfs/dbraw/zinc/42/82/91/926428291.db2.gz	ORZHGOFYUXFSJG-JTQLQIEISA-N	-1	1	317.309	-1.075	20	0		DAADMM
CCn1nc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)ccc1=O	ZINC001418863322	926428588	/nfs/dbraw/zinc/42/85/88/926428588.db2.gz	KYWPPZBZOSVAGY-SECBINFHSA-N	-1	1	305.298	-1.010	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(C)[C@H](CO)C2)o1	ZINC001418910140	926431312	/nfs/dbraw/zinc/43/13/12/926431312.db2.gz	DVBGMILCQPMSIV-VIFPVBQESA-N	-1	1	317.367	-1.064	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)Cc3cnoc3)C2)nc1=O	ZINC001419026990	926445427	/nfs/dbraw/zinc/44/54/27/926445427.db2.gz	FULAUCZKPDESIN-UHFFFAOYSA-N	-1	1	306.326	-1.113	20	0		DAADMM
O=C(CCN1CCCS1(=O)=O)N1CC[C@@H](c2nn[n-]n2)C1	ZINC001419043452	926447951	/nfs/dbraw/zinc/44/79/51/926447951.db2.gz	OWTNYUNTJODQMZ-SECBINFHSA-N	-1	1	314.371	-1.059	20	0		DAADMM
NC(=O)CN1CCN(CCNC(=O)c2ncccc2[O-])CC1	ZINC001419103031	926456358	/nfs/dbraw/zinc/45/63/58/926456358.db2.gz	OPYAQERHUBDVFU-UHFFFAOYSA-N	-1	1	307.354	-1.380	20	0		DAADMM
CS(=O)(=O)CC(=O)N[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001419396968	926475147	/nfs/dbraw/zinc/47/51/47/926475147.db2.gz	OGJVQUXMAALOKN-LJGSYFOKSA-N	-1	1	303.344	-1.708	20	0		DAADMM
COC[C@@H](NC(=O)CN(C)CC(=O)NC(C)C)c1nn[n-]n1	ZINC001419553559	926485634	/nfs/dbraw/zinc/48/56/34/926485634.db2.gz	MEPBYUMAXUFMOH-SECBINFHSA-N	-1	1	313.362	-1.540	20	0		DAADMM
O=C(Cc1ncccc1F)NC[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001420157023	926547095	/nfs/dbraw/zinc/54/70/95/926547095.db2.gz	QMVZCOFEMJVRBG-MRVPVSSYSA-N	-1	1	324.316	-1.146	20	0		DAADMM
O=C(NC[C@H](O)CNCc1n[nH]c(=O)[n-]1)[C@@]1(F)CCOC1	ZINC001420156724	926547228	/nfs/dbraw/zinc/54/72/28/926547228.db2.gz	PSGHWDYAWVUTRS-RDDDGLTNSA-N	-1	1	303.294	-1.794	20	0		DAADMM
CN(CCNC(=O)CN(C)C(=O)C1CC1)Cc1nc(=O)n(C)[n-]1	ZINC001420240287	926570400	/nfs/dbraw/zinc/57/04/00/926570400.db2.gz	SJMGVMHTOBBOIU-UHFFFAOYSA-N	-1	1	324.385	-1.475	20	0		DAADMM
CN(CCNC(=O)[C@H]1CC(=O)N(C)C1)Cc1nc(=O)n(C)[n-]1	ZINC001420231285	926570731	/nfs/dbraw/zinc/57/07/31/926570731.db2.gz	CZHTUUBYKGBMMD-VIFPVBQESA-N	-1	1	310.358	-1.865	20	0		DAADMM
CCN(CCNC(=O)c1cn(CC)nn1)Cc1nc(=O)n(C)[n-]1	ZINC001420442907	926591463	/nfs/dbraw/zinc/59/14/63/926591463.db2.gz	YUMUHXLMYSQXFL-UHFFFAOYSA-N	-1	1	322.373	-1.028	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)CCCC(N)=O)nc1=O	ZINC001420509838	926596081	/nfs/dbraw/zinc/59/60/81/926596081.db2.gz	YBQLFLNQXXNEKO-SNVBAGLBSA-N	-1	1	324.385	-1.155	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)Cn1cnnn1	ZINC001420533084	926600112	/nfs/dbraw/zinc/60/01/12/926600112.db2.gz	BOQAHFCKSQCLQR-QMMMGPOBSA-N	-1	1	309.334	-2.268	20	0		DAADMM
C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1COCCO1	ZINC001420540169	926601007	/nfs/dbraw/zinc/60/10/07/926601007.db2.gz	GRRHRTAEZHRGNO-UWVGGRQHSA-N	-1	1	313.358	-1.540	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1COCCO1	ZINC001420540183	926601998	/nfs/dbraw/zinc/60/19/98/926601998.db2.gz	GRRHRTAEZHRGNO-ZJUUUORDSA-N	-1	1	313.358	-1.540	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)C[C@@H]1CCC(=O)N1	ZINC001420645362	926606339	/nfs/dbraw/zinc/60/63/39/926606339.db2.gz	XNXOCXKQQINIKB-ZJUUUORDSA-N	-1	1	324.385	-1.286	20	0		DAADMM
C[C@H](CN(C)CCO)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC001420650778	926607355	/nfs/dbraw/zinc/60/73/55/926607355.db2.gz	RBLNSYLDFYPBBC-SECBINFHSA-N	-1	1	308.342	-1.500	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)NCCN(Cc1nc(=O)n(C)[n-]1)C1CC1	ZINC001420671229	926608560	/nfs/dbraw/zinc/60/85/60/926608560.db2.gz	NHQHFZZIXOUBDA-SECBINFHSA-N	-1	1	324.385	-1.300	20	0		DAADMM
O=C(Cn1cncn1)N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001420780658	926616835	/nfs/dbraw/zinc/61/68/35/926616835.db2.gz	AZDPROJOOOGDOY-VIFPVBQESA-N	-1	1	306.330	-1.214	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@@]2(F)CCOC2)nc1=O	ZINC001420863220	926620882	/nfs/dbraw/zinc/62/08/82/926620882.db2.gz	OMEOELRWBSOXNS-TVQRCGJNSA-N	-1	1	313.333	-1.073	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@@]2(F)CCOC2)nc1=O	ZINC001420863208	926621783	/nfs/dbraw/zinc/62/17/83/926621783.db2.gz	OMEOELRWBSOXNS-NOZJJQNGSA-N	-1	1	313.333	-1.073	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)C[C@@](C)(O)C3CC3)C2)nc1=O	ZINC001421024329	926634798	/nfs/dbraw/zinc/63/47/98/926634798.db2.gz	ISLIQDDJVSMVIW-CQSZACIVSA-N	-1	1	309.370	-1.040	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)CCc3nnc[nH]3)C2)nc1=O	ZINC001421027837	926635965	/nfs/dbraw/zinc/63/59/65/926635965.db2.gz	XXUCHJRAQTVEHH-UHFFFAOYSA-N	-1	1	306.330	-1.840	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)Cc3c[nH]cn3)C2)nc1=O	ZINC001421148195	926650580	/nfs/dbraw/zinc/65/05/80/926650580.db2.gz	APOUWOITBOPNTE-UHFFFAOYSA-N	-1	1	305.342	-1.378	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)N[C@@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001421199249	926655046	/nfs/dbraw/zinc/65/50/46/926655046.db2.gz	SMHANPBNXHAJON-OTYXRUKQSA-N	-1	1	324.385	-1.286	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N[C@@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001421219273	926657861	/nfs/dbraw/zinc/65/78/61/926657861.db2.gz	KAYMWXLHFLHGBI-OTYXRUKQSA-N	-1	1	324.385	-1.300	20	0		DAADMM
CCOCC(=O)NC[C@@]1(O)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001421330860	926664960	/nfs/dbraw/zinc/66/49/60/926664960.db2.gz	ONLVQNDSQXXLFS-ZDUSSCGKSA-N	-1	1	313.358	-1.802	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)[C@@H](C)S(C)(=O)=O	ZINC001421910274	926770584	/nfs/dbraw/zinc/77/05/84/926770584.db2.gz	IOCJMUYFTDYEDI-HTQZYQBOSA-N	-1	1	319.387	-1.120	20	0		DAADMM
CCS(=O)(=O)CC(=O)N(C)[C@@H](C)CNCc1n[nH]c(=O)[n-]1	ZINC001421981506	926778947	/nfs/dbraw/zinc/77/89/47/926778947.db2.gz	JTAXHZIFTQOCJF-QMMMGPOBSA-N	-1	1	319.387	-1.119	20	0		DAADMM
Cc1n[nH]nc1C(=O)N(C)CCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001422185336	926797519	/nfs/dbraw/zinc/79/75/19/926797519.db2.gz	SGRKPAUWNSEYEC-UHFFFAOYSA-N	-1	1	308.346	-1.261	20	0		DAADMM
CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001422990751	926932699	/nfs/dbraw/zinc/93/26/99/926932699.db2.gz	BLYQHRTWBASDHJ-KXUCPTDWSA-N	-1	1	322.369	-1.042	20	0		DAADMM
NC(=O)NC(=O)CN1CC[C@@H]1CNC(=O)c1ncccc1[O-]	ZINC001423078541	926942205	/nfs/dbraw/zinc/94/22/05/926942205.db2.gz	RZZODFKLNSWUNA-MRVPVSSYSA-N	-1	1	307.310	-1.214	20	0		DAADMM
CCNC(=O)CCC(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001423076760	926943048	/nfs/dbraw/zinc/94/30/48/926943048.db2.gz	RYAJVZNCFIOZOH-JTQLQIEISA-N	-1	1	324.385	-1.285	20	0		DAADMM
CCn1ccnc1C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001423219108	926976502	/nfs/dbraw/zinc/97/65/02/926976502.db2.gz	ZSUWSSGOGJDHMU-SECBINFHSA-N	-1	1	323.357	-1.795	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)c2cccnn2)nc1=O	ZINC001423282423	927012006	/nfs/dbraw/zinc/01/20/06/927012006.db2.gz	DKKMOVNHNZRFGW-QMMMGPOBSA-N	-1	1	307.314	-2.221	20	0		DAADMM
COC[C@@H](C)C(=O)N(C)C[C@H](O)CNCc1n[nH]c(=O)[n-]1	ZINC001423439393	927053236	/nfs/dbraw/zinc/05/32/36/927053236.db2.gz	VNWWSIUZIPTBBD-RKDXNWHRSA-N	-1	1	301.347	-1.298	20	0		DAADMM
COCCC(=O)N(C)C[C@@H](O)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001423487547	927072455	/nfs/dbraw/zinc/07/24/55/927072455.db2.gz	HKSFLVVESVAMKQ-JTQLQIEISA-N	-1	1	315.374	-1.604	20	0		DAADMM
CN(C(=O)CS(C)(=O)=O)C1CC(NCc2n[nH]c(=O)[n-]2)C1	ZINC001423662348	927104837	/nfs/dbraw/zinc/10/48/37/927104837.db2.gz	GBCZSYSTQKFGOV-UHFFFAOYSA-N	-1	1	317.371	-1.366	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](O)(CNC(=O)c3cocn3)C2)nc1=O	ZINC001423752695	927112242	/nfs/dbraw/zinc/11/22/42/927112242.db2.gz	YVLBEZIYYXCPNV-ZDUSSCGKSA-N	-1	1	322.325	-1.537	20	0		DAADMM
C[C@H]1C[C@@H]1C(=O)NC[C@]1(O)CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001423769981	927120294	/nfs/dbraw/zinc/12/02/94/927120294.db2.gz	CDSRNOKHPHKXEO-PKFCDNJMSA-N	-1	1	309.370	-1.183	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC2(CO)COC2)c(=O)[nH]c1=O	ZINC001423849085	927153638	/nfs/dbraw/zinc/15/36/38/927153638.db2.gz	UWLJCRYIFDRQRA-UHFFFAOYSA-N	-1	1	305.312	-2.227	20	0		DAADMM
COC[C@H](CCO)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001423903441	927168413	/nfs/dbraw/zinc/16/84/13/927168413.db2.gz	NSFSRPOTYZYMPZ-ZETCQYMHSA-N	-1	1	307.328	-1.838	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCN(C)C2=O)[n-]n1	ZINC001423982322	927179013	/nfs/dbraw/zinc/17/90/13/927179013.db2.gz	CQQABBOBZWUJOO-ZCFIWIBFSA-N	-1	1	302.312	-1.295	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCN(C)C2=O)n[n-]1	ZINC001423982322	927179020	/nfs/dbraw/zinc/17/90/20/927179020.db2.gz	CQQABBOBZWUJOO-ZCFIWIBFSA-N	-1	1	302.312	-1.295	20	0		DAADMM
COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)CCCS(C)(=O)=O	ZINC001424195245	927204858	/nfs/dbraw/zinc/20/48/58/927204858.db2.gz	FXFBJZGUFHAAMK-SECBINFHSA-N	-1	1	317.385	-1.736	20	0		DAADMM
NC(=O)[C@]1([N-]S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)CCOC1	ZINC001424304735	927219753	/nfs/dbraw/zinc/21/97/53/927219753.db2.gz	JAHNZVADMMYVMA-CABZTGNLSA-N	-1	1	317.367	-1.687	20	0		DAADMM
COCC(=O)NC1(CO)CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001424624334	927248609	/nfs/dbraw/zinc/24/86/09/927248609.db2.gz	AAZFXXDJVDDMIJ-UHFFFAOYSA-N	-1	1	313.358	-1.802	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C2(c3ncon3)CC2)c(=O)[nH]c1=O	ZINC001424749326	927255997	/nfs/dbraw/zinc/25/59/97/927255997.db2.gz	XLFUDMVUGDASCM-UHFFFAOYSA-N	-1	1	313.295	-1.164	20	0		DAADMM
C[C@H](CNC(=O)Cn1cnnn1)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001425015223	927272000	/nfs/dbraw/zinc/27/20/00/927272000.db2.gz	YLGWYBISWBKQNG-MRVPVSSYSA-N	-1	1	309.334	-2.268	20	0		DAADMM
C[C@H](NC(=O)Cn1cncn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001425260578	927296443	/nfs/dbraw/zinc/29/64/43/927296443.db2.gz	BCVPWPKZZFBQHQ-VIFPVBQESA-N	-1	1	320.357	-1.663	20	0		DAADMM
CC(=O)N(C)CC(=O)NC[C@H](CO)NC(=O)c1ncccc1[O-]	ZINC001425307621	927310712	/nfs/dbraw/zinc/31/07/12/927310712.db2.gz	VVTLTJKRAUZRNJ-SNVBAGLBSA-N	-1	1	324.337	-1.528	20	0		DAADMM
CCOCC(=O)NC[C@H](CO)NCc1cc(=O)n2[n-]ccc2n1	ZINC001425701947	927402159	/nfs/dbraw/zinc/40/21/59/927402159.db2.gz	AMFZOZUHXKAEGX-LLVKDONJSA-N	-1	1	323.353	-1.374	20	0		DAADMM
Cc1c(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)cnn1C	ZINC001425699560	927403475	/nfs/dbraw/zinc/40/34/75/927403475.db2.gz	CIDBNZOIQMNQIL-VIFPVBQESA-N	-1	1	323.357	-1.969	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)c2cccnc2)nc1=O	ZINC001425699746	927403698	/nfs/dbraw/zinc/40/36/98/927403698.db2.gz	ZOXAQWZHTCGKFC-SNVBAGLBSA-N	-1	1	306.326	-1.616	20	0		DAADMM
Cc1nc(C)c(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)o1	ZINC001425733004	927413551	/nfs/dbraw/zinc/41/35/51/927413551.db2.gz	LDYKNONLPLYTKE-VIFPVBQESA-N	-1	1	324.341	-1.406	20	0		DAADMM
CCc1nc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)co1	ZINC001425731803	927413580	/nfs/dbraw/zinc/41/35/80/927413580.db2.gz	JWPBZPLTIJPIFB-QMMMGPOBSA-N	-1	1	324.341	-1.461	20	0		DAADMM
Cc1nnccc1C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001425772609	927437307	/nfs/dbraw/zinc/43/73/07/927437307.db2.gz	TXOIBBSLRPPZPJ-SECBINFHSA-N	-1	1	321.341	-1.913	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)[C@]23C[C@H]2CCC3)nc1=O	ZINC001425774715	927439891	/nfs/dbraw/zinc/43/98/91/927439891.db2.gz	BKSBSLITEPUAIP-ISTVAULSSA-N	-1	1	309.370	-1.135	20	0		DAADMM
CCn1cnc(C(=O)NC[C@@H](CO)NCc2nc(=O)n(C)[n-]2)c1	ZINC001425840808	927470810	/nfs/dbraw/zinc/47/08/10/927470810.db2.gz	VPODPKDOHVYTMT-VIFPVBQESA-N	-1	1	323.357	-1.795	20	0		DAADMM
Cc1cnn(CC(=O)N(C)C[C@H](O)CNCc2n[nH]c(=O)[n-]2)c1	ZINC001425980121	927494941	/nfs/dbraw/zinc/49/49/41/927494941.db2.gz	RJUGBLCDCWCBMU-SNVBAGLBSA-N	-1	1	323.357	-1.376	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1ncccn1	ZINC001426028158	927511266	/nfs/dbraw/zinc/51/12/66/927511266.db2.gz	SNDHJTISJHGDJZ-QMMMGPOBSA-N	-1	1	307.314	-1.477	20	0		DAADMM
COCC(=O)N[C@H](C)[C@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001426387742	927541897	/nfs/dbraw/zinc/54/18/97/927541897.db2.gz	UNVJLJCSHKIWJI-SFYZADRCSA-N	-1	1	322.325	-1.313	20	0		DAADMM
C[C@@H](NC(=O)c1cnn[nH]1)[C@H](C)NC(=O)Cn1ncn(C)c1=O	ZINC001426511907	927546330	/nfs/dbraw/zinc/54/63/30/927546330.db2.gz	XIPGTDNMDQWPSM-JGVFFNPUSA-N	-1	1	322.329	-1.977	20	0		DAADMM
COCC1(C(=O)N2CC[C@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)CC1	ZINC001427102151	927594845	/nfs/dbraw/zinc/59/48/45/927594845.db2.gz	OAZWZUXPNZLBMD-ONGXEEELSA-N	-1	1	323.353	-1.077	20	0		DAADMM
COCC1(C(=O)N2CC[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)CC1	ZINC001427102145	927596026	/nfs/dbraw/zinc/59/60/26/927596026.db2.gz	OAZWZUXPNZLBMD-KOLCDFICSA-N	-1	1	323.353	-1.077	20	0		DAADMM
CNC(=O)NCC(=O)NC[C@@H](C)NC(=O)c1ncccc1[O-]	ZINC001428651916	927793485	/nfs/dbraw/zinc/79/34/85/927793485.db2.gz	JICILTLJMSLVKT-MRVPVSSYSA-N	-1	1	309.326	-1.049	20	0		DAADMM
COCC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001430176764	927919902	/nfs/dbraw/zinc/91/99/02/927919902.db2.gz	AAKWILUNRHDGBU-OCAPTIKFSA-N	-1	1	320.309	-1.559	20	0		DAADMM
CN(CCNC(=O)c1ncccc1[O-])C(=O)CN1CN=NC1=O	ZINC001431214922	928004043	/nfs/dbraw/zinc/00/40/43/928004043.db2.gz	HMIHFRQHXSBCPZ-UHFFFAOYSA-N	-1	1	320.309	-1.027	20	0		DAADMM
CO[C@@H](C)C(=O)NC1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001432205225	928115841	/nfs/dbraw/zinc/11/58/41/928115841.db2.gz	IPASDEXWQXGBGS-ZETCQYMHSA-N	-1	1	320.309	-1.607	20	0		DAADMM
COCC(=O)NCC1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001432376429	928140804	/nfs/dbraw/zinc/14/08/04/928140804.db2.gz	XBNBEWTWFSQBCT-UHFFFAOYSA-N	-1	1	320.309	-1.748	20	0		DAADMM
Cc1[nH]c(=O)[nH]c1C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001433432274	928225168	/nfs/dbraw/zinc/22/51/68/928225168.db2.gz	OPMRCVADFOLVLS-UHFFFAOYSA-N	-1	1	321.341	-1.196	20	0		DAADMM
O=C(Cn1ncnn1)NC[C@@H]1CCN1C(=O)c1ncccc1[O-]	ZINC001433725376	928257447	/nfs/dbraw/zinc/25/74/47/928257447.db2.gz	HKPOKWIDQXIQSV-VIFPVBQESA-N	-1	1	317.309	-1.195	20	0		DAADMM
CNS(=O)(=O)C[C@H]1CCCN1C(=O)CCc1nn[n-]n1	ZINC001433759370	928262874	/nfs/dbraw/zinc/26/28/74/928262874.db2.gz	XRDIOGWTEUIXNN-MRVPVSSYSA-N	-1	1	302.360	-1.328	20	0		DAADMM
CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CCc1nn[n-]n1	ZINC001433802355	928264510	/nfs/dbraw/zinc/26/45/10/928264510.db2.gz	AYCIHTNQIIZGMF-DTWKUNHWSA-N	-1	1	316.387	-1.034	20	0		DAADMM
CN1CC[C@@H](C(=O)N2CCC(O)(c3nn[n-]n3)CC2)CC1=O	ZINC001433936539	928283046	/nfs/dbraw/zinc/28/30/46/928283046.db2.gz	IUADJWOFKFGVKO-SECBINFHSA-N	-1	1	308.342	-1.122	20	0		DAADMM
CN1CC[C@H](C(=O)N2CCC(O)(c3nn[n-]n3)CC2)CC1=O	ZINC001433936540	928283241	/nfs/dbraw/zinc/28/32/41/928283241.db2.gz	IUADJWOFKFGVKO-VIFPVBQESA-N	-1	1	308.342	-1.122	20	0		DAADMM
O=C(CCc1nn[n-]n1)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21	ZINC001434063356	928297310	/nfs/dbraw/zinc/29/73/10/928297310.db2.gz	HVCHXLPJGBTOGB-RKDXNWHRSA-N	-1	1	315.355	-1.453	20	0		DAADMM
CS(=O)(=O)N1CC[C@H](NC(=O)CCCc2nn[n-]n2)C1	ZINC001434147366	928309681	/nfs/dbraw/zinc/30/96/81/928309681.db2.gz	ZIMMGFVEHJBDHU-QMMMGPOBSA-N	-1	1	302.360	-1.328	20	0		DAADMM
CN(C)C(=O)Cn1cc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)nn1	ZINC001434315304	928329784	/nfs/dbraw/zinc/32/97/84/928329784.db2.gz	ZNVJFYBXQQMTOX-QMMMGPOBSA-N	-1	1	319.329	-1.491	20	0		DAADMM
CC(=O)NC[C@]1(O)CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001434322452	928331303	/nfs/dbraw/zinc/33/13/03/928331303.db2.gz	HWNYMOJGHWJCAA-CYBMUJFWSA-N	-1	1	320.309	-1.869	20	0		DAADMM
O=C(CN1CCCS1(=O)=O)NC1(c2nn[n-]n2)CCC1	ZINC001434359739	928338188	/nfs/dbraw/zinc/33/81/88/928338188.db2.gz	LEVHJMLKDMRMIG-UHFFFAOYSA-N	-1	1	300.344	-1.269	20	0		DAADMM
CN(Cc1nnc2n1CCN(C)C2=O)C(=O)CCc1nn[n-]n1	ZINC001434360924	928340743	/nfs/dbraw/zinc/34/07/43/928340743.db2.gz	HJVDYBFFAVUFRH-UHFFFAOYSA-N	-1	1	319.329	-1.532	20	0		DAADMM
COC[C@@H](NC(=O)CNC(=O)c1ccncc1)c1nn[n-]n1	ZINC001434364942	928341518	/nfs/dbraw/zinc/34/15/18/928341518.db2.gz	UQBNGUSZDIWAGY-SECBINFHSA-N	-1	1	305.298	-1.172	20	0		DAADMM
CN1CCN(CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)CC1	ZINC001434427799	928352357	/nfs/dbraw/zinc/35/23/57/928352357.db2.gz	GWSJKFQTJAGCAY-UHFFFAOYSA-N	-1	1	302.360	-1.606	20	0		DAADMM
CN1CCN(CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)CC1	ZINC001434427799	928352371	/nfs/dbraw/zinc/35/23/71/928352371.db2.gz	GWSJKFQTJAGCAY-UHFFFAOYSA-N	-1	1	302.360	-1.606	20	0		DAADMM
Cn1[n-]c(CN2CCN(CCS(N)(=O)=O)CC2)nc1=O	ZINC001434460585	928354070	/nfs/dbraw/zinc/35/40/70/928354070.db2.gz	DKXJWMJGPXHFBZ-UHFFFAOYSA-N	-1	1	304.376	-2.486	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H](CCO)C2CC2)c(=O)[nH]c1=O	ZINC001434547286	928362986	/nfs/dbraw/zinc/36/29/86/928362986.db2.gz	ACCRLSUBTVWIQX-MRVPVSSYSA-N	-1	1	303.340	-1.075	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NC2CN(C(=O)OC)C2)[n-]n1	ZINC001434566255	928366068	/nfs/dbraw/zinc/36/60/68/928366068.db2.gz	QBIJWAQZAZQJAP-UHFFFAOYSA-N	-1	1	318.311	-1.075	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)NC2CN(C(=O)OC)C2)n[n-]1	ZINC001434566255	928366073	/nfs/dbraw/zinc/36/60/73/928366073.db2.gz	QBIJWAQZAZQJAP-UHFFFAOYSA-N	-1	1	318.311	-1.075	20	0		DAADMM
CS[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001434561098	928366147	/nfs/dbraw/zinc/36/61/47/928366147.db2.gz	QYAYQIGADRCRAE-RQJHMYQMSA-N	-1	1	323.396	-1.123	20	0		DAADMM
CS[C@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O	ZINC001434561096	928366183	/nfs/dbraw/zinc/36/61/83/928366183.db2.gz	QYAYQIGADRCRAE-RNFRBKRXSA-N	-1	1	323.396	-1.123	20	0		DAADMM
CC[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)OC	ZINC001434578497	928367584	/nfs/dbraw/zinc/36/75/84/928367584.db2.gz	OFTBWOKOOHTHJL-ZETCQYMHSA-N	-1	1	319.339	-1.037	20	0		DAADMM
CCN1C[C@H](S(=O)(=O)[N-][C@]2(C(N)=O)CCOC2)CC1=O	ZINC001434581621	928369090	/nfs/dbraw/zinc/36/90/90/928369090.db2.gz	VDMGRIYWXZBGAA-LDYMZIIASA-N	-1	1	305.356	-1.829	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)[n-]n1	ZINC001434589357	928369910	/nfs/dbraw/zinc/36/99/10/928369910.db2.gz	ALDMALKYWPGIES-BQBZGAKWSA-N	-1	1	315.307	-1.010	20	0		DAADMM
COC(=O)c1cc(S(=O)(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)n[n-]1	ZINC001434589357	928369920	/nfs/dbraw/zinc/36/99/20/928369920.db2.gz	ALDMALKYWPGIES-BQBZGAKWSA-N	-1	1	315.307	-1.010	20	0		DAADMM
COCC(COC)S(=O)(=O)[N-]Cc1nc(C(N)=O)co1	ZINC001434582265	928370446	/nfs/dbraw/zinc/37/04/46/928370446.db2.gz	HUZWIXVAQLERIX-UHFFFAOYSA-N	-1	1	307.328	-1.146	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)c3cn(CC(N)=O)nn3)ccnc1-2	ZINC001436066708	928393098	/nfs/dbraw/zinc/39/30/98/928393098.db2.gz	KEPPPJPZVUMPHV-UHFFFAOYSA-N	-1	1	300.282	-1.329	20	0		DAADMM
CC(C)C(=O)NCCN1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001436697245	928402454	/nfs/dbraw/zinc/40/24/54/928402454.db2.gz	GNMSGXINNYQNNO-UHFFFAOYSA-N	-1	1	310.402	-1.002	20	0		DAADMM
C[C@H]1C[C@@H]1C(=O)NCCN1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001436697143	928403534	/nfs/dbraw/zinc/40/35/34/928403534.db2.gz	SBZHTDPSXOVWJU-RYUDHWBXSA-N	-1	1	322.413	-1.002	20	0		DAADMM
C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001436731261	928408008	/nfs/dbraw/zinc/40/80/08/928408008.db2.gz	CFRMCTXPYFUBEJ-YUMQZZPRSA-N	-1	1	311.346	-2.144	20	0		DAADMM
CN(CCNC(=O)CN1CCCC1=O)Cc1nc(=O)n(C)[n-]1	ZINC001437431517	928448968	/nfs/dbraw/zinc/44/89/68/928448968.db2.gz	RUDSQSXHIZQTIA-UHFFFAOYSA-N	-1	1	310.358	-1.721	20	0		DAADMM
CN(CCNC(=O)CN1CCCCC1=O)Cc1nc(=O)n(C)[n-]1	ZINC001437483046	928456257	/nfs/dbraw/zinc/45/62/57/928456257.db2.gz	UTJFDEUASQXDRQ-UHFFFAOYSA-N	-1	1	324.385	-1.331	20	0		DAADMM
CCS(=O)(=O)CC(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001437571884	928465634	/nfs/dbraw/zinc/46/56/34/928465634.db2.gz	ZCDDXJPLCJTNPY-UHFFFAOYSA-N	-1	1	319.387	-1.909	20	0		DAADMM
CCN(CCNC(=O)C[C@H]1CCNC1=O)Cc1nc(=O)n(C)[n-]1	ZINC001437598164	928466399	/nfs/dbraw/zinc/46/63/99/928466399.db2.gz	MNPGHHCNLHVGRP-SNVBAGLBSA-N	-1	1	324.385	-1.427	20	0		DAADMM
Cn1[n-]c(CN(CCNC(=O)c2cnon2)C2CC2)nc1=O	ZINC001437814941	928478301	/nfs/dbraw/zinc/47/83/01/928478301.db2.gz	JICWLRZUMWNTPQ-UHFFFAOYSA-N	-1	1	307.314	-1.114	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)NCCN(Cc1nc(=O)n(C)[n-]1)C1CC1	ZINC001437780846	928478374	/nfs/dbraw/zinc/47/83/74/928478374.db2.gz	QGHNSXOGTJTPQO-SECBINFHSA-N	-1	1	324.385	-1.286	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[n-]1	ZINC001438159076	928504077	/nfs/dbraw/zinc/50/40/77/928504077.db2.gz	WKCQRQWSUUBSJX-LSJOCFKGSA-N	-1	1	322.369	-1.582	20	0		DAADMM
COCCC(=O)NC[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CCO1	ZINC001438561713	928522925	/nfs/dbraw/zinc/52/29/25/928522925.db2.gz	SCJBGVQRRGQRJD-SNVBAGLBSA-N	-1	1	313.358	-1.538	20	0		DAADMM
COC(=O)NCC(=O)N(C)[C@H](C)CNCc1n[nH]c(=O)[n-]1	ZINC001438635647	928528631	/nfs/dbraw/zinc/52/86/31/928528631.db2.gz	IQKGKVXBMHLCCB-SSDOTTSWSA-N	-1	1	300.319	-1.197	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)c1cc(=O)n(C)cn1	ZINC001438667484	928531517	/nfs/dbraw/zinc/53/15/17/928531517.db2.gz	QGVTUEWRNKRPIX-QMMMGPOBSA-N	-1	1	321.341	-1.146	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)Cn1ncn(C)c1=O	ZINC001438669566	928531863	/nfs/dbraw/zinc/53/18/63/928531863.db2.gz	PSCKLCKEKADIGW-MRVPVSSYSA-N	-1	1	324.345	-1.958	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)c1cc(=O)n(C)cn1	ZINC001438667460	928531881	/nfs/dbraw/zinc/53/18/81/928531881.db2.gz	QGVTUEWRNKRPIX-MRVPVSSYSA-N	-1	1	321.341	-1.146	20	0		DAADMM
CN(CCN(C)C(=O)Cn1cncn1)Cc1nc(=O)n(C)[n-]1	ZINC001438938573	928541360	/nfs/dbraw/zinc/54/13/60/928541360.db2.gz	VSYGVZHFWUHBKL-UHFFFAOYSA-N	-1	1	308.346	-1.710	20	0		DAADMM
O=C(NC[C@H](O)CNCc1n[nH]c(=O)[n-]1)C1(F)CCOCC1	ZINC001438992014	928560991	/nfs/dbraw/zinc/56/09/91/928560991.db2.gz	HMMNSFZMDSUOHF-MRVPVSSYSA-N	-1	1	317.321	-1.404	20	0		DAADMM
O=C(NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C1(F)CCOCC1	ZINC001438992039	928562122	/nfs/dbraw/zinc/56/21/22/928562122.db2.gz	HMMNSFZMDSUOHF-QMMMGPOBSA-N	-1	1	317.321	-1.404	20	0		DAADMM
O=C(NC[C@H](O)CNCc1n[nH]c(=O)[n-]1)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001439036154	928586629	/nfs/dbraw/zinc/58/66/29/928586629.db2.gz	SWFHYYKYZCGQDA-KYXWUPHJSA-N	-1	1	311.342	-1.356	20	0		DAADMM
COCC(=O)N(C)CC(=O)N[C@H](C)CNCc1n[nH]c(=O)[n-]1	ZINC001439116924	928598108	/nfs/dbraw/zinc/59/81/08/928598108.db2.gz	QHVKIBWCCRDBPT-MRVPVSSYSA-N	-1	1	314.346	-1.791	20	0		DAADMM
C[C@H](CNCc1ccn(C)n1)NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001439165656	928604872	/nfs/dbraw/zinc/60/48/72/928604872.db2.gz	BJCYTOHYWNGFTH-MRVPVSSYSA-N	-1	1	309.330	-1.283	20	0		DAADMM
C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1cnn(C)c1N	ZINC001439313412	928612880	/nfs/dbraw/zinc/61/28/80/928612880.db2.gz	CABJLGGHKQEHRA-MRVPVSSYSA-N	-1	1	322.373	-1.326	20	0		DAADMM
CCn1nncc1C(=O)N[C@H](C)CN(C)Cc1nc(=O)n(C)[n-]1	ZINC001439315858	928613521	/nfs/dbraw/zinc/61/35/21/928613521.db2.gz	BCGYNORLUGZRRU-SECBINFHSA-N	-1	1	322.373	-1.030	20	0		DAADMM
CCC(=O)NCC(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001439718792	928639577	/nfs/dbraw/zinc/63/95/77/928639577.db2.gz	GZBQMABBHZRQRO-UHFFFAOYSA-N	-1	1	310.358	-1.723	20	0		DAADMM
O=C(CN1CC(O)(CNC(=O)c2ncccc2[O-])C1)NC1CC1	ZINC001440042419	928678842	/nfs/dbraw/zinc/67/88/42/928678842.db2.gz	NHHLGONYQJARBN-UHFFFAOYSA-N	-1	1	320.349	-1.158	20	0		DAADMM
C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)CS(C)(=O)=O	ZINC001440785046	928746676	/nfs/dbraw/zinc/74/66/76/928746676.db2.gz	XQJHUHBZDHJHHX-BQBZGAKWSA-N	-1	1	305.360	-1.462	20	0		DAADMM
C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)c1ccc(=O)n(C)n1	ZINC001440856908	928749619	/nfs/dbraw/zinc/74/96/19/928749619.db2.gz	HTSNNCZPTWAJQC-YUMQZZPRSA-N	-1	1	321.341	-1.099	20	0		DAADMM
O=C(NC[C@H](NCc1n[nH]c(=O)[n-]1)C1CC1)[C@H]1CCC(=O)N1	ZINC001441181146	928774163	/nfs/dbraw/zinc/77/41/63/928774163.db2.gz	ZPHXSCJVFOLLAF-BDAKNGLRSA-N	-1	1	308.342	-1.227	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)c2ccccn2)nc1=O	ZINC001441662068	928806034	/nfs/dbraw/zinc/80/60/34/928806034.db2.gz	RFVPZVUGXTVFFF-SECBINFHSA-N	-1	1	306.326	-1.616	20	0		DAADMM
Cn1[n-]c(CN[C@H](CO)CNC(=O)c2ccccn2)nc1=O	ZINC001441662320	928806654	/nfs/dbraw/zinc/80/66/54/928806654.db2.gz	RFVPZVUGXTVFFF-VIFPVBQESA-N	-1	1	306.326	-1.616	20	0		DAADMM
Cc1ncoc1C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001441663939	928806750	/nfs/dbraw/zinc/80/67/50/928806750.db2.gz	BMJRZIBDBHAGMA-MRVPVSSYSA-N	-1	1	310.314	-1.715	20	0		DAADMM
Cc1ncoc1C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001441663943	928807125	/nfs/dbraw/zinc/80/71/25/928807125.db2.gz	BMJRZIBDBHAGMA-QMMMGPOBSA-N	-1	1	310.314	-1.715	20	0		DAADMM
CCn1cccc1C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001441795609	928866231	/nfs/dbraw/zinc/86/62/31/928866231.db2.gz	ONZHNLQYDDPYHG-SNVBAGLBSA-N	-1	1	322.369	-1.190	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCCOC1	ZINC001441973448	928894602	/nfs/dbraw/zinc/89/46/02/928894602.db2.gz	WIIYETYGAAZHQV-ZJUUUORDSA-N	-1	1	313.358	-1.154	20	0		DAADMM
CO[C@@H](C(=O)N(C)C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C1CC1	ZINC001442001419	928905031	/nfs/dbraw/zinc/90/50/31/928905031.db2.gz	TUQCBWGOXHAXCA-MWLCHTKSSA-N	-1	1	313.358	-1.156	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)c1ccn(C)n1	ZINC001442026897	928911222	/nfs/dbraw/zinc/91/12/22/928911222.db2.gz	DJNYURZCLLBMNX-QMMMGPOBSA-N	-1	1	309.330	-1.534	20	0		DAADMM
CCS(=O)(=O)CC(=O)NC[C@H](C)NCc1n[nH]c(=O)[n-]1	ZINC001442101636	928931065	/nfs/dbraw/zinc/93/10/65/928931065.db2.gz	BGTJZCKFHQUCAB-ZETCQYMHSA-N	-1	1	305.360	-1.461	20	0		DAADMM
COCC(=O)NC[C@@H](C)N(C)C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001442641578	928959615	/nfs/dbraw/zinc/95/96/15/928959615.db2.gz	WKTXAHXSNCOEMQ-MRVPVSSYSA-N	-1	1	322.325	-1.359	20	0		DAADMM
Cn1[n-]c(CN(CCNC(=O)[C@@H]2CNC(=O)N2)C2CC2)nc1=O	ZINC001443029500	928986126	/nfs/dbraw/zinc/98/61/26/928986126.db2.gz	BXIQIMSYOGCUST-VIFPVBQESA-N	-1	1	323.357	-2.130	20	0		DAADMM
O=C(CCCN1C(=O)CNC1=O)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001443450514	929004262	/nfs/dbraw/zinc/00/42/62/929004262.db2.gz	NZTQOKKPNYBAJU-QMMMGPOBSA-N	-1	1	323.313	-1.568	20	0		DAADMM
O=C(CCCN1C(=O)CNC1=O)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC001443450508	929004874	/nfs/dbraw/zinc/00/48/74/929004874.db2.gz	NZTQOKKPNYBAJU-MRVPVSSYSA-N	-1	1	323.313	-1.568	20	0		DAADMM
O=C(C[C@H]1CCS(=O)(=O)C1)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001443448673	929005331	/nfs/dbraw/zinc/00/53/31/929005331.db2.gz	KQVMVVGOEMUYHE-BDAKNGLRSA-N	-1	1	315.355	-1.076	20	0		DAADMM
CC(=O)N[C@@H](C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1)C(C)C	ZINC001443539039	929012258	/nfs/dbraw/zinc/01/22/58/929012258.db2.gz	JHCCXTZFHUSSTB-GFCCVEGCSA-N	-1	1	324.385	-1.431	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)COCC(F)F)C2)nc1=O	ZINC001443600371	929016261	/nfs/dbraw/zinc/01/62/61/929016261.db2.gz	SNQKCIFBMRYKMB-UHFFFAOYSA-N	-1	1	319.312	-1.062	20	0		DAADMM
CC[C@@H](NC(C)=O)C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001443610992	929019863	/nfs/dbraw/zinc/01/98/63/929019863.db2.gz	FOEICSXOAKUBGS-LLVKDONJSA-N	-1	1	324.385	-1.429	20	0		DAADMM
CC[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)NCc1n[nH]c(=O)[n-]1	ZINC001443972212	929039109	/nfs/dbraw/zinc/03/91/09/929039109.db2.gz	WLEPVZPVONVDCA-YUMQZZPRSA-N	-1	1	311.346	-1.482	20	0		DAADMM
CC[C@@H](CNC(=O)c1ccc(=O)n(C)n1)NCc1n[nH]c(=O)[n-]1	ZINC001444022640	929040040	/nfs/dbraw/zinc/04/00/40/929040040.db2.gz	AVPMNWSLOGNUSM-QMMMGPOBSA-N	-1	1	321.341	-1.098	20	0		DAADMM
COCC(=O)NC[C@H](CO)NC(=O)c1cnc(C2CC2)[n-]c1=O	ZINC001444060019	929045477	/nfs/dbraw/zinc/04/54/77/929045477.db2.gz	LVRZQXCZOZRTSH-SECBINFHSA-N	-1	1	324.337	-1.087	20	0		DAADMM
COCC(=O)NC[C@@H](CO)NC(=O)c1cnc(C2CC2)[n-]c1=O	ZINC001444060020	929046383	/nfs/dbraw/zinc/04/63/83/929046383.db2.gz	LVRZQXCZOZRTSH-VIFPVBQESA-N	-1	1	324.337	-1.087	20	0		DAADMM
O=C(Cc1cnc[nH]1)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001444442645	929124256	/nfs/dbraw/zinc/12/42/56/929124256.db2.gz	HGTRMTARIYJZIY-SNVBAGLBSA-N	-1	1	321.341	-1.207	20	0		DAADMM
O=C(Cc1cnc[nH]1)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001444442640	929124562	/nfs/dbraw/zinc/12/45/62/929124562.db2.gz	HGTRMTARIYJZIY-JTQLQIEISA-N	-1	1	321.341	-1.207	20	0		DAADMM
CN(CCN(C)C(=O)C1=COCCO1)Cc1nc(=O)n(C)[n-]1	ZINC001444955304	929156790	/nfs/dbraw/zinc/15/67/90/929156790.db2.gz	VGZDRYASPPNNNO-UHFFFAOYSA-N	-1	1	311.342	-1.113	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N(C)CCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001445019842	929161248	/nfs/dbraw/zinc/16/12/48/929161248.db2.gz	NYKJEIGEPUJRTL-SECBINFHSA-N	-1	1	312.374	-1.490	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)N(C)CCN(C)Cc1nc(=O)n(C)[n-]1	ZINC001445019844	929162559	/nfs/dbraw/zinc/16/25/59/929162559.db2.gz	NYKJEIGEPUJRTL-VIFPVBQESA-N	-1	1	312.374	-1.490	20	0		DAADMM
CN1C[C@H](C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)NC1=O	ZINC001445962784	929265524	/nfs/dbraw/zinc/26/55/24/929265524.db2.gz	ULWCIONZXWEYCB-RKDXNWHRSA-N	-1	1	323.357	-1.482	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)C[C@H]2COC(=O)C2)nc1=O	ZINC001446029171	929271210	/nfs/dbraw/zinc/27/12/10/929271210.db2.gz	AFPSDPZYWPCDNO-NXEZZACHSA-N	-1	1	323.353	-1.248	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@]2(C)CCC(=O)N2)nc1=O	ZINC001446109535	929273962	/nfs/dbraw/zinc/27/39/62/929273962.db2.gz	WUXMKVZNYYQDNF-XPTSAGLGSA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)Cn2cncn2)nc1=O	ZINC001446129916	929277428	/nfs/dbraw/zinc/27/74/28/929277428.db2.gz	JTOPKXCRECAFPV-VIFPVBQESA-N	-1	1	306.330	-1.909	20	0		DAADMM
CN1CCC[C@H]1C(=O)NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001446747901	929307936	/nfs/dbraw/zinc/30/79/36/929307936.db2.gz	QUFAWCIKXMTKJS-HZMBPMFUSA-N	-1	1	324.385	-1.343	20	0		DAADMM
CN1CCC[C@H]1C(=O)NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001446747903	929310672	/nfs/dbraw/zinc/31/06/72/929310672.db2.gz	QUFAWCIKXMTKJS-IINYFYTJSA-N	-1	1	324.385	-1.343	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)c3cscn3)C2)nc1=O	ZINC001446828180	929331246	/nfs/dbraw/zinc/33/12/46/929331246.db2.gz	DIKRHBUJKVUCEU-UHFFFAOYSA-N	-1	1	324.366	-1.458	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)[C@@H]3CC3(F)F)C2)nc1=O	ZINC001446834036	929332296	/nfs/dbraw/zinc/33/22/96/929332296.db2.gz	LFZFRKYGAYYVAD-ZETCQYMHSA-N	-1	1	317.296	-1.574	20	0		DAADMM
Cn1cnnc1CN1CC(O)(CNC(=O)c2ncccc2[O-])C1	ZINC001446833885	929332899	/nfs/dbraw/zinc/33/28/99/929332899.db2.gz	ILUAIJRPWYXCKV-UHFFFAOYSA-N	-1	1	318.337	-1.108	20	0		DAADMM
Cn1[n-]c(CN2CC(O)(CNC(=O)c3cocn3)C2)nc1=O	ZINC001446832284	929333202	/nfs/dbraw/zinc/33/32/02/929333202.db2.gz	RGHRDGNGWRGUFW-UHFFFAOYSA-N	-1	1	308.298	-1.927	20	0		DAADMM
CCNS(=O)(=O)[C@@H]1CCN(C(=O)CCc2nn[n-]n2)C1	ZINC001446978673	929355706	/nfs/dbraw/zinc/35/57/06/929355706.db2.gz	FEBVWUGBLIUFMZ-MRVPVSSYSA-N	-1	1	302.360	-1.328	20	0		DAADMM
O=C(Cc1cnc[nH]1)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001447135016	929372437	/nfs/dbraw/zinc/37/24/37/929372437.db2.gz	KYBVCCULODDGLC-SNVBAGLBSA-N	-1	1	321.341	-1.207	20	0		DAADMM
NC(=O)NCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccc1[O-]	ZINC001447680119	929406445	/nfs/dbraw/zinc/40/64/45/929406445.db2.gz	FLDLETTUZSHBSI-VROVMSAKSA-N	-1	1	319.321	-1.358	20	0		DAADMM
C[C@H](CNC(=O)C[C@@H]1CCNC1=O)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001448031924	929425691	/nfs/dbraw/zinc/42/56/91/929425691.db2.gz	IDKJSJGIIYYBAI-ZJUUUORDSA-N	-1	1	324.385	-1.429	20	0		DAADMM
NS(=O)(=O)C1(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)CC1	ZINC001448132434	929433111	/nfs/dbraw/zinc/43/31/11/929433111.db2.gz	YLPGIJSJLDTCDX-ZETCQYMHSA-N	-1	1	300.344	-1.273	20	0		DAADMM
C[C@@H](NC(=O)[C@@H](C)CC(N)=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001448338723	929449010	/nfs/dbraw/zinc/44/90/10/929449010.db2.gz	OPHPZIMYYQPRLH-DTWKUNHWSA-N	-1	1	324.385	-1.444	20	0		DAADMM
C[C@H](CC(N)=O)C(=O)N[C@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001448338728	929449721	/nfs/dbraw/zinc/44/97/21/929449721.db2.gz	OPHPZIMYYQPRLH-RKDXNWHRSA-N	-1	1	324.385	-1.444	20	0		DAADMM
C[C@@H](CC(N)=O)C(=O)N[C@@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001448338726	929449934	/nfs/dbraw/zinc/44/99/34/929449934.db2.gz	OPHPZIMYYQPRLH-IUCAKERBSA-N	-1	1	324.385	-1.444	20	0		DAADMM
C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)NCc1n[nH]c(=O)[n-]1	ZINC001448727531	929467318	/nfs/dbraw/zinc/46/73/18/929467318.db2.gz	WLZBDRGFEPIVFB-HTQZYQBOSA-N	-1	1	311.346	-1.530	20	0		DAADMM
CO[C@@H](C(=O)NC[C@H](CO)NCc1nc(=O)n(C)[n-]1)C1CC1	ZINC001448823042	929482570	/nfs/dbraw/zinc/48/25/70/929482570.db2.gz	GNYTYSFBARAGLB-MWLCHTKSSA-N	-1	1	313.358	-1.900	20	0		DAADMM
CC[C@@H](OC)C(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[n-]1	ZINC001448823906	929482844	/nfs/dbraw/zinc/48/28/44/929482844.db2.gz	JLYJUKZBJAEUFD-DTWKUNHWSA-N	-1	1	301.347	-1.900	20	0		DAADMM
Cc1n[nH]c(C(=O)NC[C@H](CO)N[C@H](C)C(=O)N(C)C)c1[O-]	ZINC001448848041	929494430	/nfs/dbraw/zinc/49/44/30/929494430.db2.gz	YZGXLVIUIAGRSG-RKDXNWHRSA-N	-1	1	313.358	-1.419	20	0		DAADMM
Cc1n[nH]c(C(=O)NC[C@@H](CO)N[C@@H](C)C(=O)N(C)C)c1[O-]	ZINC001448848037	929494780	/nfs/dbraw/zinc/49/47/80/929494780.db2.gz	YZGXLVIUIAGRSG-IUCAKERBSA-N	-1	1	313.358	-1.419	20	0		DAADMM
Cc1cc(C)c(C(=O)NC[C@H](CO)NCc2nc(=O)n(C)[n-]2)[nH]1	ZINC001448878694	929503943	/nfs/dbraw/zinc/50/39/43/929503943.db2.gz	MLHQVDPGIHOVSC-SNVBAGLBSA-N	-1	1	322.369	-1.066	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CO)CNC(=O)[C@@H]2C[C@H]2C2CC2)nc1=O	ZINC001448927003	929518671	/nfs/dbraw/zinc/51/86/71/929518671.db2.gz	PFRDMFKSBFUIQQ-OUAUKWLOSA-N	-1	1	309.370	-1.279	20	0		DAADMM
CC(=O)NCC(=O)N[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)[C@H]1C	ZINC001449029161	929532488	/nfs/dbraw/zinc/53/24/88/929532488.db2.gz	OTBTZGWOBNAWCM-GXSJLCMTSA-N	-1	1	324.385	-1.286	20	0		DAADMM
CC(=O)NCC(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)C(C)(C)C1	ZINC001449066974	929535732	/nfs/dbraw/zinc/53/57/32/929535732.db2.gz	HBPHDMJOYKVJOB-VIFPVBQESA-N	-1	1	310.358	-1.027	20	0		DAADMM
CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)Cn1ccnc1	ZINC001449179176	929559973	/nfs/dbraw/zinc/55/99/73/929559973.db2.gz	XDVQNZPLCYPWJY-VIFPVBQESA-N	-1	1	309.330	-1.684	20	0		DAADMM
CN1CC[C@H]([NH+]2CCC(NC(=O)CCc3nnn[n-]3)CC2)C1=O	ZINC001449173490	929561910	/nfs/dbraw/zinc/56/19/10/929561910.db2.gz	DGAAVOQLSFKFNH-NSHDSACASA-N	-1	1	321.385	-1.056	20	0		DAADMM
CC(F)(F)C(=O)NCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001522488545	929670530	/nfs/dbraw/zinc/67/05/30/929670530.db2.gz	MPQDGFDZBWJSJS-UHFFFAOYSA-N	-1	1	314.252	-1.081	20	0		DAADMM
COCC(=O)N[C@H]1C[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001525233159	929752788	/nfs/dbraw/zinc/75/27/88/929752788.db2.gz	ZNPWOOCJXFHIHX-AOOOYVTPSA-N	-1	1	324.337	-1.664	20	0		DAADMM
NC(=O)CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21	ZINC001526151621	929758302	/nfs/dbraw/zinc/75/83/02/929758302.db2.gz	MXCVYDIOQNWZLD-JDICNCQASA-N	-1	1	304.306	-1.151	20	0		DAADMM
C[C@H](CNC(=O)Cn1cnnn1)CNC(=O)c1ncccc1[O-]	ZINC001532096073	929891212	/nfs/dbraw/zinc/89/12/12/929891212.db2.gz	MSLITJKMSZDAMS-SECBINFHSA-N	-1	1	319.325	-1.044	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NC1CCS(=O)(=O)CC1	ZINC001540827227	930024083	/nfs/dbraw/zinc/02/40/83/930024083.db2.gz	XAOKFZLVBUGPFH-UHFFFAOYSA-N	-1	1	315.351	-1.380	20	0		DAADMM
Cn1cc([C@H](CO)NC(=O)CCn2cc[n-]c(=O)c2=O)cn1	ZINC001547439320	930028698	/nfs/dbraw/zinc/02/86/98/930028698.db2.gz	FCELJRFUPYHXKQ-JTQLQIEISA-N	-1	1	307.310	-1.490	20	0		DAADMM
C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC001548690976	930037339	/nfs/dbraw/zinc/03/73/39/930037339.db2.gz	JPMPXKJXGOTNBZ-ZJUUUORDSA-N	-1	1	318.399	-2.043	20	0		DAADMM
C[C@@H]1CN2CCN1C[C@H]2C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC001548690976	930037349	/nfs/dbraw/zinc/03/73/49/930037349.db2.gz	JPMPXKJXGOTNBZ-ZJUUUORDSA-N	-1	1	318.399	-2.043	20	0		DAADMM
O=C(/C=C\CN1CCOCC1)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001556348761	930079080	/nfs/dbraw/zinc/07/90/80/930079080.db2.gz	ZCNDUWIROKNOSQ-UPHRSURJSA-N	-1	1	322.369	-1.102	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1	ZINC001556693842	930080985	/nfs/dbraw/zinc/08/09/85/930080985.db2.gz	GIPNLZAVQZDCRD-OCAPTIKFSA-N	-1	1	306.278	-2.342	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H](CO)[C@@H]1CCCOC1	ZINC001557019613	930082475	/nfs/dbraw/zinc/08/24/75/930082475.db2.gz	ALGKPOWPPJIURF-MNOVXSKESA-N	-1	1	311.338	-1.170	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H](CO)[C@H]1CCCOC1	ZINC001557019614	930083230	/nfs/dbraw/zinc/08/32/30/930083230.db2.gz	ALGKPOWPPJIURF-QWRGUYRKSA-N	-1	1	311.338	-1.170	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C)C(=O)N(C)OC	ZINC001561798597	930093738	/nfs/dbraw/zinc/09/37/38/930093738.db2.gz	OYDGLMJRYQSEPL-LURJTMIESA-N	-1	1	320.327	-1.117	20	0		DAADMM
CC(=O)N1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)CC1	ZINC001573450255	945819001	/nfs/dbraw/zinc/81/90/01/945819001.db2.gz	ABFJMIUOGKUUTR-UHFFFAOYSA-N	-1	1	320.313	-2.078	20	0		DAADMM
CC(=O)NCC(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1	ZINC001573516390	946561234	/nfs/dbraw/zinc/56/12/34/946561234.db2.gz	YNYDFBZFGYNUNZ-ZETCQYMHSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1	ZINC001573516390	946561237	/nfs/dbraw/zinc/56/12/37/946561237.db2.gz	YNYDFBZFGYNUNZ-ZETCQYMHSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1	ZINC001573520622	946601261	/nfs/dbraw/zinc/60/12/61/946601261.db2.gz	MOHJKDFLGJBVNV-UHFFFAOYSA-N	-1	1	319.329	-1.655	20	0		DAADMM
CC(=O)NCC(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1	ZINC001573520622	946601268	/nfs/dbraw/zinc/60/12/68/946601268.db2.gz	MOHJKDFLGJBVNV-UHFFFAOYSA-N	-1	1	319.329	-1.655	20	0		DAADMM
CC(=O)NCC(=O)N[C@H](C)CNc1nccnc1-c1nnn[n-]1	ZINC001573521812	946612432	/nfs/dbraw/zinc/61/24/32/946612432.db2.gz	IAZUHDMYCNYVID-SSDOTTSWSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)N[C@H](C)CNc1nccnc1-c1nn[n-]n1	ZINC001573521812	946612435	/nfs/dbraw/zinc/61/24/35/946612435.db2.gz	IAZUHDMYCNYVID-SSDOTTSWSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1	ZINC001573521813	946612974	/nfs/dbraw/zinc/61/29/74/946612974.db2.gz	IAZUHDMYCNYVID-ZETCQYMHSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1	ZINC001573521813	946612979	/nfs/dbraw/zinc/61/29/79/946612979.db2.gz	IAZUHDMYCNYVID-ZETCQYMHSA-N	-1	1	319.329	-1.291	20	0		DAADMM
CC(=O)NCC(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1	ZINC001573521858	946615474	/nfs/dbraw/zinc/61/54/74/946615474.db2.gz	LPNOFUYGFLYTOK-ZETCQYMHSA-N	-1	1	319.329	-1.869	20	0		DAADMM
CC(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1	ZINC001573528648	946663855	/nfs/dbraw/zinc/66/38/55/946663855.db2.gz	DKAMOTSZLHHNFA-UHFFFAOYSA-N	-1	1	317.357	-1.085	20	0		DAADMM
C[C@H](C(=O)N(C)Cc1cn(C)nn1)n1cnc(-c2nn[n-]n2)n1	ZINC001573603132	947479783	/nfs/dbraw/zinc/47/97/83/947479783.db2.gz	CQVQVSUMBQNYSK-SSDOTTSWSA-N	-1	1	317.317	-1.194	20	0		DAADMM
C[C@H](C(=O)N1C[C@H](O)C[C@]1(C)CO)n1cnc(-c2nn[n-]n2)n1	ZINC001573614701	947590138	/nfs/dbraw/zinc/59/01/38/947590138.db2.gz	OEVUNBDGJKCIBI-DNSOKLHBSA-N	-1	1	322.329	-1.637	20	0		DAADMM
C[C@H](C(=O)N1C[C@@H](O)C[C@]1(C)CO)n1cnc(-c2nn[n-]n2)n1	ZINC001573614712	947590486	/nfs/dbraw/zinc/59/04/86/947590486.db2.gz	OEVUNBDGJKCIBI-RGNHYFCHSA-N	-1	1	322.329	-1.637	20	0		DAADMM
CC(=O)C[C@@H](C)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001573365251	947729757	/nfs/dbraw/zinc/72/97/57/947729757.db2.gz	LTKZGLOJBLFXQW-ZCFIWIBFSA-N	-1	1	321.297	-1.387	20	0		DAADMM
C[C@H](C(=O)N1CCn2cnnc2C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573647977	947904186	/nfs/dbraw/zinc/90/41/86/947904186.db2.gz	WDYMQWZEKZKYSR-SSDOTTSWSA-N	-1	1	315.301	-1.347	20	0		DAADMM
C[C@H](C(=O)NC(C)(C)CNC(N)=O)n1cnc(-c2nn[n-]n2)n1	ZINC001573652673	947943887	/nfs/dbraw/zinc/94/38/87/947943887.db2.gz	GGAUAOJRYDALJW-ZCFIWIBFSA-N	-1	1	322.333	-1.418	20	0		DAADMM
C[C@H](C(=O)N[C@@H](CO)[C@H]1CCOC1)n1cnc(-c2nn[n-]n2)n1	ZINC001573654490	947968946	/nfs/dbraw/zinc/96/89/46/947968946.db2.gz	RMRBELOLUAZWDG-VGMNWLOBSA-N	-1	1	322.329	-1.467	20	0		DAADMM
C[C@H](C(=O)NC1(CO)CCOCC1)n1cnc(-c2nn[n-]n2)n1	ZINC001573663755	948041147	/nfs/dbraw/zinc/04/11/47/948041147.db2.gz	PJCVCUFTFDHLOD-MRVPVSSYSA-N	-1	1	322.329	-1.323	20	0		DAADMM
C[C@H](C(=O)N[C@@H]1C(=O)NCC1(C)C)n1cnc(-c2nn[n-]n2)n1	ZINC001573664371	948054112	/nfs/dbraw/zinc/05/41/12/948054112.db2.gz	UTXOAEYGVJCBLC-RNFRBKRXSA-N	-1	1	319.329	-1.340	20	0		DAADMM
C[C@@H](C(=O)N[C@@H]1CCN(C(N)=O)C1)n1cnc(-c2nn[n-]n2)n1	ZINC001573674622	948118899	/nfs/dbraw/zinc/11/88/99/948118899.db2.gz	OOWGSPDCPGUFMQ-NKWVEPMBSA-N	-1	1	320.317	-1.712	20	0		DAADMM
C[C@H](C(=O)NC[C@H](O)c1c[nH]cn1)n1cnc(-c2nn[n-]n2)n1	ZINC001573692669	948268878	/nfs/dbraw/zinc/26/88/78/948268878.db2.gz	QGYSJVPEXGPITL-SVRRBLITSA-N	-1	1	318.301	-1.408	20	0		DAADMM
C[C@@H](C(=O)NCCN1CCNC1=O)n1cnc(-c2nn[n-]n2)n1	ZINC001573720909	948536838	/nfs/dbraw/zinc/53/68/38/948536838.db2.gz	STIYSSXEHBUCAB-ZETCQYMHSA-N	-1	1	320.317	-1.839	20	0		DAADMM
Cc1cnc(CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cn1	ZINC001570918907	948579946	/nfs/dbraw/zinc/57/99/46/948579946.db2.gz	LROKOYZWVFMLOP-UHFFFAOYSA-N	-1	1	314.313	-1.084	20	0		DAADMM
CCS(=O)(=O)N(C)CC(=O)Nc1c[nH]nc1-c1nn[n-]n1	ZINC001570919647	948590461	/nfs/dbraw/zinc/59/04/61/948590461.db2.gz	XSWWJDWQZGAYCF-UHFFFAOYSA-N	-1	1	314.331	-1.190	20	0		DAADMM
O=C1NCCn2c(CNc3ccc(-c4nnn[n-]4)nn3)nnc21	ZINC001570920579	948602751	/nfs/dbraw/zinc/60/27/51/948602751.db2.gz	UIFJKTFLFYSWEM-UHFFFAOYSA-N	-1	1	313.285	-1.396	20	0		DAADMM
O=C1NCCn2c(CNc3ccc(-c4nn[n-]n4)nn3)nnc21	ZINC001570920579	948602754	/nfs/dbraw/zinc/60/27/54/948602754.db2.gz	UIFJKTFLFYSWEM-UHFFFAOYSA-N	-1	1	313.285	-1.396	20	0		DAADMM
Cc1nncn1CCNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1	ZINC001570921368	948619163	/nfs/dbraw/zinc/61/91/63/948619163.db2.gz	XKBRQAZSRGTENP-SSDOTTSWSA-N	-1	1	317.317	-1.264	20	0		DAADMM
CC(C)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O	ZINC001570922205	948637113	/nfs/dbraw/zinc/63/71/13/948637113.db2.gz	WWFDHGAWDFTNTJ-ZJUUUORDSA-N	-1	1	318.341	-1.022	20	0		DAADMM
CC(C)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O	ZINC001570922205	948637116	/nfs/dbraw/zinc/63/71/16/948637116.db2.gz	WWFDHGAWDFTNTJ-ZJUUUORDSA-N	-1	1	318.341	-1.022	20	0		DAADMM
COC[C@@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)C(N)=O	ZINC001570922424	948641980	/nfs/dbraw/zinc/64/19/80/948641980.db2.gz	IRBUTBOUENDURN-SSDOTTSWSA-N	-1	1	321.297	-1.494	20	0		DAADMM
CN(c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)[C@@H]1CCN(C)C1=O	ZINC001570922812	948647968	/nfs/dbraw/zinc/64/79/68/948647968.db2.gz	MXCMLZCJXKMBOU-ZCFIWIBFSA-N	-1	1	320.313	-2.079	20	0		DAADMM
Cc1nsc(NC(=O)N2CC(O)(C(N)=O)C2)c1-c1nnn[n-]1	ZINC001570923391	948661796	/nfs/dbraw/zinc/66/17/96/948661796.db2.gz	XISCZMMXERWNGE-UHFFFAOYSA-N	-1	1	324.326	-1.304	20	0		DAADMM
Cc1nsc(NC(=O)N2CC(O)(C(N)=O)C2)c1-c1nn[n-]n1	ZINC001570923391	948661802	/nfs/dbraw/zinc/66/18/02/948661802.db2.gz	XISCZMMXERWNGE-UHFFFAOYSA-N	-1	1	324.326	-1.304	20	0		DAADMM
CO[C@]1(CNc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)CCOC1	ZINC001570930848	948828436	/nfs/dbraw/zinc/82/84/36/948828436.db2.gz	HOMFTJXPMBAIEP-LBPRGKRZSA-N	-1	1	323.313	-1.117	20	0		DAADMM
C[C@@H](O)C[C@H](C)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001570931020	948830603	/nfs/dbraw/zinc/83/06/03/948830603.db2.gz	JQJZNOHTNXMQDS-NKWVEPMBSA-N	-1	1	323.313	-1.595	20	0		DAADMM
CNC(=O)[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)C(C)C	ZINC001570932612	948856840	/nfs/dbraw/zinc/85/68/40/948856840.db2.gz	UOWVHCJCDFTLKW-ZETCQYMHSA-N	-1	1	322.329	-1.152	20	0		DAADMM
C[C@H](CCO)CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001574694775	949092770	/nfs/dbraw/zinc/09/27/70/949092770.db2.gz	WDHKUVDZEUNIHA-SSDOTTSWSA-N	-1	1	323.313	-1.736	20	0		DAADMM
CC1(O)CN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1	ZINC001575858017	949282707	/nfs/dbraw/zinc/28/27/07/949282707.db2.gz	YHOVNBBSFRDDAT-UHFFFAOYSA-N	-1	1	321.297	-1.888	20	0		DAADMM
CC(C)(C)C(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(CCO)c1=O	ZINC001573793350	949290324	/nfs/dbraw/zinc/29/03/24/949290324.db2.gz	PVOAZZGVBZZEGG-UHFFFAOYSA-N	-1	1	322.325	-1.202	20	0		DAADMM
CC1(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)CC1	ZINC001575572326	949972284	/nfs/dbraw/zinc/97/22/84/949972284.db2.gz	FXXFXTWMYJQPDE-QMMMGPOBSA-N	-1	1	318.341	-1.232	20	0		DAADMM
CC1(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)CC1	ZINC001575572325	949973205	/nfs/dbraw/zinc/97/32/05/949973205.db2.gz	FXXFXTWMYJQPDE-MRVPVSSYSA-N	-1	1	318.341	-1.232	20	0		DAADMM
C[C@@H]1CCN(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)C[C@H]1O	ZINC001576190634	950167982	/nfs/dbraw/zinc/16/79/82/950167982.db2.gz	BZYMBSJUYNIIBE-RKDXNWHRSA-N	-1	1	321.345	-1.130	20	0		DAADMM
CCN(CCO)CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001589734324	950521957	/nfs/dbraw/zinc/52/19/57/950521957.db2.gz	XNVYYBRNLJWTQH-UHFFFAOYSA-N	-1	1	323.415	-1.068	20	0		DAADMM
O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ncc[nH]1	ZINC000380688707	971713424	/nfs/dbraw/zinc/71/34/24/971713424.db2.gz	LLRDRRCCSFZNNF-ZETCQYMHSA-N	-1	1	323.352	-1.328	20	0		DAADMM
O=C([O-])CN1CC[C@H](N2CCC3(CC2)NC(=O)NC3=O)C1=O	ZINC001595073837	951620240	/nfs/dbraw/zinc/62/02/40/951620240.db2.gz	JMMDKXFABYYGAM-QMMMGPOBSA-N	-1	1	310.310	-1.654	20	0		DAADMM
O=C([O-])COCC(=O)N1CCN([C@@H]2CCNC(=O)CC2)CC1	ZINC001595105775	951877428	/nfs/dbraw/zinc/87/74/28/951877428.db2.gz	LIQLIEKRRATKLF-NSHDSACASA-N	-1	1	313.354	-1.100	20	0		DAADMM
O=C([O-])CS(=O)(=O)CCN1CCN(Cc2nnc[nH]2)CC1	ZINC001595123798	951991683	/nfs/dbraw/zinc/99/16/83/951991683.db2.gz	CUUQTMKICMLEFW-UHFFFAOYSA-N	-1	1	317.371	-1.578	20	0		DAADMM
C[C@@H](CS(C)(=O)=O)NC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC001575185565	952434531	/nfs/dbraw/zinc/43/45/31/952434531.db2.gz	SNTPHJNHCXZQNG-LURJTMIESA-N	-1	1	314.331	-1.993	20	0		DAADMM
CC(C)(NCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC001602953697	971931169	/nfs/dbraw/zinc/93/11/69/971931169.db2.gz	LAFKRJDGDRDDDQ-SSDOTTSWSA-N	-1	1	321.355	-1.548	20	0		DAADMM
O=C([O-])C(=O)N1CCN(C(=O)C2CN([C@@H]3CCOC3)C2)CC1	ZINC001594826116	953941059	/nfs/dbraw/zinc/94/10/59/953941059.db2.gz	ZBVVYJPSLSKEJW-LLVKDONJSA-N	-1	1	311.338	-1.538	20	0		DAADMM
O=C([O-])C1(C(=O)NCc2nnc[nH]2)CCS(=O)(=O)CC1	ZINC001594864932	954313190	/nfs/dbraw/zinc/31/31/90/954313190.db2.gz	QGKYBFBKOHGAOQ-UHFFFAOYSA-N	-1	1	302.312	-1.300	20	0		DAADMM
O=C([O-])C1=NO[C@@H](C(=O)N2CCN(Cc3nnc[nH]3)CC2)C1	ZINC001594889545	954503699	/nfs/dbraw/zinc/50/36/99/954503699.db2.gz	HWRZEPMRCVTRHD-SECBINFHSA-N	-1	1	308.298	-1.322	20	0		DAADMM
NCC(=O)NCC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000385929386	972022233	/nfs/dbraw/zinc/02/22/33/972022233.db2.gz	ZYWIYYNWOHMQAX-UHFFFAOYSA-N	-1	1	308.294	-1.486	20	0		DAADMM
CN(CCC(=O)[O-])C(=O)C(=O)NC[C@@H]1CN(C)CCN1C	ZINC001593780675	954652362	/nfs/dbraw/zinc/65/23/62/954652362.db2.gz	CVRQORJCUQWUHN-SNVBAGLBSA-N	-1	1	300.359	-1.719	20	0		DAADMM
CN1CCN(C)[C@@H](CNC(=O)C(=O)NCCCCC(=O)[O-])C1	ZINC001593780641	954652723	/nfs/dbraw/zinc/65/27/23/954652723.db2.gz	AGPLBGXXBADFTQ-NSHDSACASA-N	-1	1	314.386	-1.281	20	0		DAADMM
CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001593781434	954671297	/nfs/dbraw/zinc/67/12/97/954671297.db2.gz	YQYUJLIIFPXDAL-AXFHLTTASA-N	-1	1	312.370	-1.672	20	0		DAADMM
CNC(=O)NC(=O)CCN1CCO[C@@](COC)(C(=O)[O-])C1	ZINC001593794822	954800345	/nfs/dbraw/zinc/80/03/45/954800345.db2.gz	FZODJQJUURSCNK-LBPRGKRZSA-N	-1	1	303.315	-1.366	20	0		DAADMM
O=C([O-])[C@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)CCO1	ZINC001594940760	954886163	/nfs/dbraw/zinc/88/61/63/954886163.db2.gz	NYPHWKYJIPVJKD-VXGBXAGGSA-N	-1	1	323.349	-1.229	20	0		DAADMM
COC(=O)[C@@H]1CN(C)CCN([C@@H]2CCN(CC(=O)[O-])C2=O)C1	ZINC001593829509	955137501	/nfs/dbraw/zinc/13/75/01/955137501.db2.gz	ZDJDQVCKSIFZAW-GHMZBOCLSA-N	-1	1	313.354	-1.292	20	0		DAADMM
COC(=O)[C@H]1CN(C)CCN([C@@H]2CCN(CC(=O)[O-])C2=O)C1	ZINC001593829513	955137561	/nfs/dbraw/zinc/13/75/61/955137561.db2.gz	ZDJDQVCKSIFZAW-WDEREUQCSA-N	-1	1	313.354	-1.292	20	0		DAADMM
COC(=O)[C@@H]1CN(C)CCN([C@H]2CCN(CC(=O)[O-])C2=O)C1	ZINC001593829510	955137739	/nfs/dbraw/zinc/13/77/39/955137739.db2.gz	ZDJDQVCKSIFZAW-MNOVXSKESA-N	-1	1	313.354	-1.292	20	0		DAADMM
COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1CN2CCN1C[C@@H]2C	ZINC001593839821	955349776	/nfs/dbraw/zinc/34/97/76/955349776.db2.gz	XLLKBDANKMDXBA-QWRGUYRKSA-N	-1	1	313.354	-1.149	20	0		DAADMM
COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1CN2CCN1C[C@H]2C	ZINC001593839820	955350239	/nfs/dbraw/zinc/35/02/39/955350239.db2.gz	XLLKBDANKMDXBA-MNOVXSKESA-N	-1	1	313.354	-1.149	20	0		DAADMM
CO[C@](C)(C(=O)[O-])C(=O)N1CCN(C(=O)CN(C)C)CC1	ZINC001593922228	956092225	/nfs/dbraw/zinc/09/22/25/956092225.db2.gz	HXTMRYYXCCPUNS-ZDUSSCGKSA-N	-1	1	301.343	-1.292	20	0		DAADMM
COC[C@@]1(C(=O)[O-])CN(C[C@@H](O)C2(O)CCOCC2)CCO1	ZINC001593985843	956775649	/nfs/dbraw/zinc/77/56/49/956775649.db2.gz	KFHWMQVKPDCAOC-BXUZGUMPSA-N	-1	1	319.354	-1.309	20	0		DAADMM
C[C@@]12CN(CCS(=O)(=O)CC(=O)[O-])C[C@@]1(C)C(=O)NC2=O	ZINC001589254588	956979699	/nfs/dbraw/zinc/97/96/99/956979699.db2.gz	ITPJAGDAEYPXPM-RYUDHWBXSA-N	-1	1	318.351	-1.530	20	0		DAADMM
O=C([O-])c1cc(S(=O)(=O)NCC(=O)N2CCNCC2)c[nH]1	ZINC000048839462	957465692	/nfs/dbraw/zinc/46/56/92/957465692.db2.gz	YRLWDPGJWPWMEY-UHFFFAOYSA-N	-1	1	316.339	-1.577	20	0		DAADMM
CN(CCC(=O)[O-])S(=O)(=O)NCCN1CCN(C)CC1	ZINC000088769183	958067624	/nfs/dbraw/zinc/06/76/24/958067624.db2.gz	KGQJSWZOZGTIEF-UHFFFAOYSA-N	-1	1	308.404	-1.525	20	0		DAADMM
Cc1nc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)n[nH]1	ZINC000392431736	972485232	/nfs/dbraw/zinc/48/52/32/972485232.db2.gz	XKFIWCJNLGHSMW-UHFFFAOYSA-N	-1	1	300.300	-1.127	20	0		DAADMM
C[C@@H]1CN([C@H]2CCN(CC(=O)[O-])C2=O)C[C@H]1CS(N)(=O)=O	ZINC001574275603	960634177	/nfs/dbraw/zinc/63/41/77/960634177.db2.gz	WCIICTPTHLYRGF-UTLUCORTSA-N	-1	1	319.383	-1.472	20	0		DAADMM
NS(=O)(=O)N1CCN(CC2(O)CCC(C(=O)[O-])CC2)CC1	ZINC001574281005	960644202	/nfs/dbraw/zinc/64/42/02/960644202.db2.gz	SXYQJOZPVFSRQU-UHFFFAOYSA-N	-1	1	321.399	-1.187	20	0		DAADMM
O=C([O-])C1(NC(=O)Cc2nnc[nH]2)CCS(=O)(=O)CC1	ZINC001571077010	960965263	/nfs/dbraw/zinc/96/52/63/960965263.db2.gz	RQQKPKAIWODIGP-UHFFFAOYSA-N	-1	1	302.312	-1.505	20	0		DAADMM
O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)CCCc1nn[nH]n1	ZINC001571106980	961292735	/nfs/dbraw/zinc/29/27/35/961292735.db2.gz	XOVCIMYVLSURLR-QMMMGPOBSA-N	-1	1	310.314	-1.286	20	0		DAADMM
CS(=O)(=O)N1CC(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])C1	ZINC001571131637	961562463	/nfs/dbraw/zinc/56/24/63/961562463.db2.gz	NTDOBTIIWPYXQO-SECBINFHSA-N	-1	1	316.339	-1.587	20	0		DAADMM
COC(=O)C1CC2(C1)CN(CC(=O)NC(N)=O)C[C@@H]2C(=O)[O-]	ZINC001574047820	962136305	/nfs/dbraw/zinc/13/63/05/962136305.db2.gz	NRRAQXGPFNYSSG-LPATWVRLSA-N	-1	1	313.310	-1.233	20	0		DAADMM
CN1CC(=O)N(CC(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])C1=O	ZINC000314089118	963709705	/nfs/dbraw/zinc/70/97/05/963709705.db2.gz	GUYJKPBDIJJQKO-MRVPVSSYSA-N	-1	1	309.282	-1.584	20	0		DAADMM
CN1CCN(C)[C@H](CNS(=O)(=O)c2cc(C(=O)[O-])no2)C1	ZINC000315489944	963907941	/nfs/dbraw/zinc/90/79/41/963907941.db2.gz	WWMBPIAENPWYNT-MRVPVSSYSA-N	-1	1	318.355	-1.103	20	0		DAADMM
CN1CCN(CCNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1	ZINC001604221142	972712387	/nfs/dbraw/zinc/71/23/87/972712387.db2.gz	OKDDWXSLIBKZBK-NSHDSACASA-N	-1	1	320.415	-1.383	20	0		DAADMM
Cn1nnc(CNS(=O)(=O)c2scnc2C(=O)[O-])n1	ZINC000398157001	973077048	/nfs/dbraw/zinc/07/70/48/973077048.db2.gz	UXNDRVADKSNKCO-UHFFFAOYSA-N	-1	1	304.313	-1.157	20	0		DAADMM
Cc1nc(CN2CCN(C(=O)[C@@H]3CC(C(=O)[O-])=NO3)CC2)n[nH]1	ZINC001605403456	973398016	/nfs/dbraw/zinc/39/80/16/973398016.db2.gz	JSXNUGCFEMHUMQ-JTQLQIEISA-N	-1	1	322.325	-1.013	20	0		DAADMM
O=C([O-])CN1CCC[C@@H](C(=O)NCc2n[nH]c(CO)n2)C1=O	ZINC001606253165	973570798	/nfs/dbraw/zinc/57/07/98/973570798.db2.gz	KTLPIBUWMNDHJB-ZETCQYMHSA-N	-1	1	311.298	-1.764	20	0		DAADMM
O=C([O-])Cn1cc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)nn1	ZINC001606326795	973755518	/nfs/dbraw/zinc/75/55/18/973755518.db2.gz	WWOUGODEBVIGAJ-NXEZZACHSA-N	-1	1	309.326	-1.356	20	0		DAADMM
Cn1nccc1[C@@H](NCc1cc(=O)n(C)c(=O)n1C)C(=O)[O-]	ZINC001605568185	973816081	/nfs/dbraw/zinc/81/60/81/973816081.db2.gz	NCHXODXWBQZDKN-LLVKDONJSA-N	-1	1	307.310	-1.267	20	0		DAADMM
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCN2C[C@H](O)C[C@H]2C1	ZINC001606388294	973838176	/nfs/dbraw/zinc/83/81/76/973838176.db2.gz	LFDVYTTZWRKFKS-AXFHLTTASA-N	-1	1	319.383	-1.469	20	0		DAADMM
CCN(CCO)CCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC001603739645	974186650	/nfs/dbraw/zinc/18/66/50/974186650.db2.gz	RSUGXLHMPNOEPT-JTQLQIEISA-N	-1	1	309.388	-1.316	20	0		DAADMM
CCN1CCN(CC(=O)NCCC(=O)NCCC(=O)[O-])CC1	ZINC001596431622	984102055	/nfs/dbraw/zinc/10/20/55/984102055.db2.gz	ZZNVKIXUZZZQRA-UHFFFAOYSA-N	-1	1	314.386	-1.279	20	0		DAADMM
C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)C[C@@H](C(=O)[O-])O1	ZINC001599910897	984983135	/nfs/dbraw/zinc/98/31/35/984983135.db2.gz	KBUCRMJKITYCGX-JLIMGVALSA-N	-1	1	317.317	-1.415	20	0		DAADMM
C[C@H]1CN(C(=O)C2CNCCS2(=O)=O)CC[C@H]1C(=O)[O-]	ZINC001599912125	984999550	/nfs/dbraw/zinc/99/95/50/984999550.db2.gz	JMBIVQBHNDXCOG-AEJSXWLSSA-N	-1	1	304.368	-1.058	20	0		DAADMM
CC(=O)NCC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	ZINC001589120946	985389374	/nfs/dbraw/zinc/38/93/74/985389374.db2.gz	FEWACCSCRDSCSM-UHFFFAOYSA-N	-1	1	300.359	-1.717	20	0		DAADMM
C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)CN1C(=O)CNC1=O	ZINC001594515467	985874160	/nfs/dbraw/zinc/87/41/60/985874160.db2.gz	OPIKUVQRMGKNDB-SECBINFHSA-N	-1	1	312.326	-1.454	20	0		DAADMM
C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1OCCN(C)C1=O	ZINC001594515762	985886633	/nfs/dbraw/zinc/88/66/33/985886633.db2.gz	QUCYYLQARUVGIY-PWSUYJOCSA-N	-1	1	313.354	-1.149	20	0		DAADMM
C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CCS(=O)(=O)N1	ZINC001594516439	985903938	/nfs/dbraw/zinc/90/39/38/985903938.db2.gz	XGOXGICUBCMZJO-ZJUUUORDSA-N	-1	1	319.383	-1.315	20	0		DAADMM
C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)Cn1ccc(=O)[nH]c1=O	ZINC001594516956	985922259	/nfs/dbraw/zinc/92/22/59/985922259.db2.gz	XCNYQNSTYNELLQ-SNVBAGLBSA-N	-1	1	324.337	-1.044	20	0		DAADMM
CCS(=O)(=O)NCC(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1	ZINC001597225811	987176594	/nfs/dbraw/zinc/17/65/94/987176594.db2.gz	WFGLPQDJZICIND-JTQLQIEISA-N	-1	1	321.399	-1.067	20	0		DAADMM
CN(CC(=O)N[C@H](Cn1cncn1)C(=O)[O-])[C@@H]1CCC[C@H]1O	ZINC001598387737	991623652	/nfs/dbraw/zinc/62/36/52/991623652.db2.gz	UAKNWIYCDSVZQK-GMTAPVOTSA-N	-1	1	311.342	-1.307	20	0		DAADMM
CN(CC(=O)[O-])C(=O)CCN[C@](C)(Cn1cccn1)C(N)=O	ZINC001598409753	991730447	/nfs/dbraw/zinc/73/04/47/991730447.db2.gz	UEHGQVSUUYONLT-CYBMUJFWSA-N	-1	1	311.342	-1.350	20	0		DAADMM
CN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])CC(=O)NC(N)=O	ZINC001598480031	992134499	/nfs/dbraw/zinc/13/44/99/992134499.db2.gz	RGWGSUPTSNFJDF-HTQZYQBOSA-N	-1	1	300.315	-1.660	20	0		DAADMM
CN(CCNC(=O)N(C)[C@H]1CCS(=O)(=O)C1)CC(=O)[O-]	ZINC001598490333	992279788	/nfs/dbraw/zinc/27/97/88/992279788.db2.gz	CARICPVASNHGLZ-VIFPVBQESA-N	-1	1	307.372	-1.169	20	0		DAADMM
CC(C)C[C@H](NC(=O)CNC(=O)[C@H]1CNCCO1)C(=O)[O-]	ZINC001591458663	992571040	/nfs/dbraw/zinc/57/10/40/992571040.db2.gz	VSOXABWURPBFOP-VHSXEESVSA-N	-1	1	301.343	-1.294	20	0		DAADMM
CC(C)NC(=O)CN(C)CC(=O)N1CCN(CC(=O)[O-])CC1	ZINC001591641100	992956918	/nfs/dbraw/zinc/95/69/18/992956918.db2.gz	JAFKAJWUYYYCQW-UHFFFAOYSA-N	-1	1	314.386	-1.328	20	0		DAADMM
CN1C[C@H](C(=O)[O-])N(C(=O)C2CN([C@@H]3CCOC3)C2)CC1=O	ZINC001598563143	993110074	/nfs/dbraw/zinc/11/00/74/993110074.db2.gz	OPVGPPZLRGJNPK-GHMZBOCLSA-N	-1	1	311.338	-1.539	20	0		DAADMM
CN1C[C@@H](O)C[C@@]1(C)C(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001598569385	993178504	/nfs/dbraw/zinc/17/85/04/993178504.db2.gz	JFAJMGRIVVGKTM-ZANVPECISA-N	-1	1	301.343	-1.461	20	0		DAADMM
CN1CC[C@@](O)(CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1	ZINC001598586501	993390758	/nfs/dbraw/zinc/39/07/58/993390758.db2.gz	REUBMQAWKZBLLS-SNVBAGLBSA-N	-1	1	304.328	-1.547	20	0		DAADMM
CN1CC[C@](O)(CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1	ZINC001598586499	993390992	/nfs/dbraw/zinc/39/09/92/993390992.db2.gz	REUBMQAWKZBLLS-JTQLQIEISA-N	-1	1	304.328	-1.547	20	0		DAADMM
CN1CCC[C@@H]1C(=O)NC[C@@H](CO)Nc1ccnc(C(=O)[O-])n1	ZINC001598591972	993447134	/nfs/dbraw/zinc/44/71/34/993447134.db2.gz	BXTSCVPZZWDDMJ-VHSXEESVSA-N	-1	1	323.353	-1.420	20	0		DAADMM
CN1CCN(C)[C@@H](CNC(=O)C(=O)NC[C@H](F)C(=O)[O-])C1	ZINC001598612214	993797972	/nfs/dbraw/zinc/79/79/72/993797972.db2.gz	PWSCCGLRWDPQDJ-IUCAKERBSA-N	-1	1	304.322	-2.113	20	0		DAADMM
CN1CCN(CCN(CC(=O)[O-])C(=O)Cc2nnc[nH]2)CC1	ZINC001598616846	993899084	/nfs/dbraw/zinc/89/90/84/993899084.db2.gz	PMPRDVRECGDELM-UHFFFAOYSA-N	-1	1	310.358	-1.492	20	0		DAADMM
CN1CCN(CCNC(=O)Cn2cccc(C(=O)[O-])c2=O)CC1	ZINC001598618448	993941115	/nfs/dbraw/zinc/94/11/15/993941115.db2.gz	GBJWSUTWARBHKP-UHFFFAOYSA-N	-1	1	322.365	-1.090	20	0		DAADMM
C[C@H](NS(C)(=O)=O)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C	ZINC001593347272	994953860	/nfs/dbraw/zinc/95/38/60/994953860.db2.gz	DFQDBCIJDDAXBY-ZJUUUORDSA-N	-1	1	321.399	-1.069	20	0		DAADMM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)C1CN([C@H]2CCOC2)C1	ZINC001598695492	995130778	/nfs/dbraw/zinc/13/07/78/995130778.db2.gz	VCTISSIZXHQAPF-VHSXEESVSA-N	-1	1	300.311	-1.160	20	0		DAADMM
C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(CC(=O)[O-])CC1	ZINC001593426536	995231248	/nfs/dbraw/zinc/23/12/48/995231248.db2.gz	SDYUAUONDHTLKW-JOYOIKCWSA-N	-1	1	313.354	-1.509	20	0		DAADMM
COC(=O)[C@]1(N2CCN(C[C@](C)(O)C(=O)[O-])CC2)CCOC1	ZINC001598720919	995474179	/nfs/dbraw/zinc/47/41/79/995474179.db2.gz	AMFNVQXBMFHKFS-KBPBESRZSA-N	-1	1	316.354	-1.228	20	0		DAADMM
COC(=O)C[C@@H](NC(=O)C1CN([C@H]2CCOC2)C1)C(=O)[O-]	ZINC001598837937	996501314	/nfs/dbraw/zinc/50/13/14/996501314.db2.gz	OZSDZZOZCRVUTN-VHSXEESVSA-N	-1	1	300.311	-1.160	20	0		DAADMM
CC1(C)CN(C(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCN1	ZINC001593927854	996867912	/nfs/dbraw/zinc/86/79/12/996867912.db2.gz	UVDZOPGMPNIEEQ-JTQLQIEISA-N	-1	1	313.354	-1.101	20	0		DAADMM
CO[C@]1(C(=O)[O-])CCN(CC(=O)N2CCC(C(N)=O)CC2)C1	ZINC001599077512	996910553	/nfs/dbraw/zinc/91/05/53/996910553.db2.gz	YUFRKBWIUKGLBA-CQSZACIVSA-N	-1	1	313.354	-1.114	20	0		DAADMM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H]1CN2CCN1C[C@@H]2C	ZINC001598889717	996969009	/nfs/dbraw/zinc/96/90/09/996969009.db2.gz	BKHKIGISNJGALC-AXFHLTTASA-N	-1	1	313.354	-1.103	20	0		DAADMM
COC[C@H]1CNCCN1C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC001599206566	997418776	/nfs/dbraw/zinc/41/87/76/997418776.db2.gz	BVSGQUKULMWSJY-QMTHXVAHSA-N	-1	1	313.354	-1.244	20	0		DAADMM
COC[C@H]1CNCCN1C(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001599208174	997449143	/nfs/dbraw/zinc/44/91/43/997449143.db2.gz	PZUACJIAYQGJRJ-LLVKDONJSA-N	-1	1	313.354	-1.244	20	0		DAADMM
COCC(COC)S(=O)(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1	ZINC001599167017	998557022	/nfs/dbraw/zinc/55/70/22/998557022.db2.gz	UHWGYRCMGQSDAP-SNVBAGLBSA-N	-1	1	324.399	-1.074	20	0		DAADMM
C[C@@H]1CN(C(=O)CN2CCOCC2=O)CCN1CCC(=O)[O-]	ZINC001594468754	999697505	/nfs/dbraw/zinc/69/75/05/999697505.db2.gz	QANQEYOVXAMAHT-LLVKDONJSA-N	-1	1	313.354	-1.147	20	0		DAADMM
C[C@H]1C[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCO1	ZINC000271271659	291147735	/nfs/dbraw/zinc/14/77/35/291147735.db2.gz	ONYIRXWHKFKRMI-DTWKUNHWSA-N	-1	1	317.367	-1.070	20	0		DAADMM
COC(=O)C(C)(C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000045958552	372785109	/nfs/dbraw/zinc/78/51/09/372785109.db2.gz	RJQKRQYICYELLR-UHFFFAOYSA-N	-1	1	319.339	-1.686	20	0		DAADMM
CN(CC(=O)N1CCNCC1)S(=O)(=O)[N-]CC(F)(F)F	ZINC000126170654	372787096	/nfs/dbraw/zinc/78/70/96/372787096.db2.gz	HCASHQYIWPZMBM-UHFFFAOYSA-N	-1	1	318.321	-1.253	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@H]2CCCCO2)c(=O)n(C)c1=O	ZINC000145395446	372836680	/nfs/dbraw/zinc/83/66/80/372836680.db2.gz	UCYFTKUSBKYBHM-SECBINFHSA-N	-1	1	317.367	-1.069	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCCCO2)c(=O)n(C)c1=O	ZINC000145395249	372837533	/nfs/dbraw/zinc/83/75/33/372837533.db2.gz	UCYFTKUSBKYBHM-VIFPVBQESA-N	-1	1	317.367	-1.069	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2O)c(=O)n(C)c1=O	ZINC000052005490	372905436	/nfs/dbraw/zinc/90/54/36/372905436.db2.gz	REEWRZWNGGTLSS-BDAKNGLRSA-N	-1	1	317.367	-1.334	20	0		DAADMM
O=C(CCc1nn[n-]n1)N1CCN(CC(F)(F)CO)CC1	ZINC000636133403	372912728	/nfs/dbraw/zinc/91/27/28/372912728.db2.gz	AGUYGGOJJIDFLD-UHFFFAOYSA-N	-1	1	304.301	-1.096	20	0		DAADMM
C[C@@H](O)C[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000228207022	372933848	/nfs/dbraw/zinc/93/38/48/372933848.db2.gz	SVQQTUUJBBBVRK-HTQZYQBOSA-N	-1	1	305.356	-1.478	20	0		DAADMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1COC[C@H]1O	ZINC000323044219	372949275	/nfs/dbraw/zinc/94/92/75/372949275.db2.gz	GUIBHRQRVWOXJN-HTQZYQBOSA-N	-1	1	305.312	-1.376	20	0		DAADMM
COC(=O)c1oc(S(=O)(=O)[N-][C@@H](CO)C(N)=O)cc1C	ZINC000595341832	372999008	/nfs/dbraw/zinc/99/90/08/372999008.db2.gz	YQLNDAXHJPVERY-LURJTMIESA-N	-1	1	306.296	-1.501	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCS(=O)(=O)C1	ZINC000337944404	373109109	/nfs/dbraw/zinc/10/91/09/373109109.db2.gz	XZFRPUVYAUAFNJ-MRVPVSSYSA-N	-1	1	313.335	-1.180	20	0		DAADMM
COCCNC(=O)CNC(=O)CNC(=O)c1ncccc1[O-]	ZINC000337902301	373111685	/nfs/dbraw/zinc/11/16/85/373111685.db2.gz	KAPSEBGOIWGXGZ-UHFFFAOYSA-N	-1	1	310.310	-1.604	20	0		DAADMM
CC[C@H](CCO)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000094960400	373111725	/nfs/dbraw/zinc/11/17/25/373111725.db2.gz	VPFFSOOGAUSKKU-SECBINFHSA-N	-1	1	319.383	-1.229	20	0		DAADMM
NC(=O)[C@@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])CCO1	ZINC000337940095	373111830	/nfs/dbraw/zinc/11/18/30/373111830.db2.gz	CBCJUBCSVQAAMG-VIFPVBQESA-N	-1	1	308.294	-1.770	20	0		DAADMM
O=C(CNC(=O)c1ncccc1[O-])N1CCN(CCO)CC1	ZINC000337951132	373113437	/nfs/dbraw/zinc/11/34/37/373113437.db2.gz	ITCKHQPLHCVRQS-UHFFFAOYSA-N	-1	1	308.338	-1.347	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(CCO)CC2)co1	ZINC000270004449	373171628	/nfs/dbraw/zinc/17/16/28/373171628.db2.gz	CFGHHINXKFTPSF-UHFFFAOYSA-N	-1	1	317.367	-1.062	20	0		DAADMM
CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000052782562	373155072	/nfs/dbraw/zinc/15/50/72/373155072.db2.gz	QCBBHTBOCZZNNH-ZETCQYMHSA-N	-1	1	318.355	-2.113	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](CO)C2)c(=O)n(C)c1=O	ZINC000565432567	373125289	/nfs/dbraw/zinc/12/52/89/373125289.db2.gz	OXOOSGUJCLZYBV-BDAKNGLRSA-N	-1	1	317.367	-1.477	20	0		DAADMM
COC(=O)C1([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1	ZINC000270892681	373176809	/nfs/dbraw/zinc/17/68/09/373176809.db2.gz	YHQMLAJSZMIVMY-UHFFFAOYSA-N	-1	1	317.323	-1.932	20	0		DAADMM
NC(=O)c1ccc(N2CCN(Cc3nc(=O)[n-][nH]3)CC2)nc1	ZINC000271601311	373178356	/nfs/dbraw/zinc/17/83/56/373178356.db2.gz	IIGDPPNSFSXNHV-UHFFFAOYSA-N	-1	1	303.326	-1.086	20	0		DAADMM
Cn1cnc(S(=O)(=O)[N-]C[C@H]2CC(C(N)=O)=NO2)c1Cl	ZINC000275864371	373181352	/nfs/dbraw/zinc/18/13/52/373181352.db2.gz	JLWJGSABYWMPEF-RXMQYKEDSA-N	-1	1	321.746	-1.018	20	0		DAADMM
COC[C@@H](C)S(=O)(=O)[N-][C@H](CN1CCOCC1)C(=O)OC	ZINC000583544194	373265629	/nfs/dbraw/zinc/26/56/29/373265629.db2.gz	UZQOLSHGPXDUGR-GHMZBOCLSA-N	-1	1	324.399	-1.186	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H]2C[C@@](C)(O)C2)c(=O)n(C)c1=O	ZINC000572014835	373328983	/nfs/dbraw/zinc/32/89/83/373328983.db2.gz	CSWOVJMHRUCGHT-DGFRNANFSA-N	-1	1	303.340	-1.724	20	0		DAADMM
CN(C)c1n[nH]c([N-]S(=O)(=O)CCCS(N)(=O)=O)n1	ZINC000348342143	373304404	/nfs/dbraw/zinc/30/44/04/373304404.db2.gz	OKLFWBBJBSHDTQ-UHFFFAOYSA-N	-1	1	312.377	-1.709	20	0		DAADMM
CCOC(=O)[C@H](CO)[N-]S(=O)(=O)CCCN1CCOCC1	ZINC000613273536	373306980	/nfs/dbraw/zinc/30/69/80/373306980.db2.gz	BRNMWVUIWXZQMJ-NSHDSACASA-N	-1	1	324.399	-1.448	20	0		DAADMM
COCCS(=O)(=O)[N-][C@H](CN1CCOCC1)C(=O)OC	ZINC000572472921	373344492	/nfs/dbraw/zinc/34/44/92/373344492.db2.gz	UYAAZEIVKWRFGB-SNVBAGLBSA-N	-1	1	310.372	-1.574	20	0		DAADMM
O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCC[C@H](c2nn[n-]n2)C1	ZINC000612818046	373361571	/nfs/dbraw/zinc/36/15/71/373361571.db2.gz	PCWNLECRJZAUFO-AYHFEMFVSA-N	-1	1	309.326	-1.682	20	0		DAADMM
C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1nc[nH]n1	ZINC000219303248	373444790	/nfs/dbraw/zinc/44/47/90/373444790.db2.gz	MBBHYNFQGOFZGE-LURJTMIESA-N	-1	1	314.327	-1.758	20	0		DAADMM
COC(=O)[C@@H](O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000231649633	373453429	/nfs/dbraw/zinc/45/34/29/373453429.db2.gz	HUWPBOHAOMFTHI-LURJTMIESA-N	-1	1	321.311	-3.104	20	0		DAADMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CNC(=O)C1	ZINC000232228027	373453547	/nfs/dbraw/zinc/45/35/47/373453547.db2.gz	ZXBWHQOBTLVXPI-LURJTMIESA-N	-1	1	302.312	-1.247	20	0		DAADMM
CN(C)S(=O)(=O)CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	ZINC000630226683	373496110	/nfs/dbraw/zinc/49/61/10/373496110.db2.gz	CTLPRYIBDODJHG-UHFFFAOYSA-N	-1	1	321.399	-1.115	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC[C@H]2CCOC2)c(=O)n(C)c1=O	ZINC000541323737	373499178	/nfs/dbraw/zinc/49/91/78/373499178.db2.gz	GJQXHIBAROEYNZ-VIFPVBQESA-N	-1	1	317.367	-1.211	20	0		DAADMM
CCN1C[C@@H](S(=O)(=O)N(CCN(C)C)CC(=O)[O-])CC1=O	ZINC000630440532	373500063	/nfs/dbraw/zinc/50/00/63/373500063.db2.gz	DBGOTDBSDTUMAH-JTQLQIEISA-N	-1	1	321.399	-1.115	20	0		DAADMM
COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)[N-][C@]1(C(N)=O)CCOC1	ZINC000580903780	373596689	/nfs/dbraw/zinc/59/66/89/373596689.db2.gz	XRTDZMJDAWOASH-KBVBSXBZSA-N	-1	1	320.367	-1.108	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CC(=O)N(C)C(=O)C2)o1	ZINC000567922151	373540120	/nfs/dbraw/zinc/54/01/20/373540120.db2.gz	QPGQDMWLWKDCQB-UHFFFAOYSA-N	-1	1	315.307	-1.372	20	0		DAADMM
COC(=O)[C@@H](CN1CCOCC1)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000574630845	373561750	/nfs/dbraw/zinc/56/17/50/373561750.db2.gz	OJGRZOKDPWXSHW-WDEREUQCSA-N	-1	1	322.383	-1.432	20	0		DAADMM
Cc1cc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)no1	ZINC000063186680	373622084	/nfs/dbraw/zinc/62/20/84/373622084.db2.gz	RGGKXPNGADLUBS-UHFFFAOYSA-N	-1	1	314.323	-1.141	20	0		DAADMM
COC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000313909521	373651324	/nfs/dbraw/zinc/65/13/24/373651324.db2.gz	ZXOWCQAQFUHNPA-SSDOTTSWSA-N	-1	1	319.339	-1.686	20	0		DAADMM
CC(C)NC(=O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000015365724	373605894	/nfs/dbraw/zinc/60/58/94/373605894.db2.gz	AOSNSPGVMJKHCC-UHFFFAOYSA-N	-1	1	318.355	-2.113	20	0		DAADMM
CC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H](C)O	ZINC000386794087	373608439	/nfs/dbraw/zinc/60/84/39/373608439.db2.gz	AORIWCXJCONLFV-JGVFFNPUSA-N	-1	1	305.356	-1.478	20	0		DAADMM
O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)N1CCOCC1	ZINC000021818707	182293749	/nfs/dbraw/zinc/29/37/49/182293749.db2.gz	YCJNBTQCKLJEFL-VIFPVBQESA-N	-1	1	304.328	-1.428	20	0		DAADMM
COC(=O)[C@@H]([N-]S(=O)(=O)N1CCOC(C)(C)C1)[C@@H](C)O	ZINC000444196280	545782507	/nfs/dbraw/zinc/78/25/07/545782507.db2.gz	WGDBIJILUQYPTC-BDAKNGLRSA-N	-1	1	310.372	-1.146	20	0		DAADMM
CCOC(=O)C(C)(C)S(=O)(=O)[N-]Cc1noc(C(N)=O)n1	ZINC001193074873	781992354	/nfs/dbraw/zinc/99/23/54/781992354.db2.gz	KTEUXKDMBGODRU-UHFFFAOYSA-N	-1	1	320.327	-1.070	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCC2(O)CCC2)c(=O)n(C)c1=O	ZINC000284753421	131109464	/nfs/dbraw/zinc/10/94/64/131109464.db2.gz	UOXVFTOXWSNMSW-UHFFFAOYSA-N	-1	1	317.367	-1.333	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCc2cn[nH]c2)c(=O)n(C)c1=O	ZINC000379783067	545803363	/nfs/dbraw/zinc/80/33/63/545803363.db2.gz	DUQQEHDACJEDFQ-UHFFFAOYSA-N	-1	1	313.339	-1.672	20	0		DAADMM
COC(=O)C(C)(C)CS(=O)(=O)[N-][C@@H]1CC(=O)N(C)C1=O	ZINC000289265470	131370260	/nfs/dbraw/zinc/37/02/60/131370260.db2.gz	VPXUTGBMXNRJRC-SSDOTTSWSA-N	-1	1	306.340	-1.138	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]CCS(=O)(=O)N(C)C	ZINC000289408973	131383847	/nfs/dbraw/zinc/38/38/47/131383847.db2.gz	ABOVOZRQYJGTQR-UHFFFAOYSA-N	-1	1	312.373	-1.265	20	0		DAADMM
CC[C@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)OC	ZINC000289478683	131390088	/nfs/dbraw/zinc/39/00/88/131390088.db2.gz	INZHKCDEJQTQBE-MRVPVSSYSA-N	-1	1	305.356	-1.213	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCC(C)(C)O)c(=O)n(C)c1=O	ZINC000336842317	545806215	/nfs/dbraw/zinc/80/62/15/545806215.db2.gz	UIFQMLUAUSRHCN-UHFFFAOYSA-N	-1	1	305.356	-1.477	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC2CCOCC2)c(=O)n(C)c1=O	ZINC000299610840	132113254	/nfs/dbraw/zinc/11/32/54/132113254.db2.gz	HPNICHYIYZMZMA-UHFFFAOYSA-N	-1	1	317.367	-1.211	20	0		DAADMM
Cc1o[n-]c(=N)c1S(=O)(=O)N[C@H]1CCN(S(C)(=O)=O)C1	ZINC000651815559	409375899	/nfs/dbraw/zinc/37/58/99/409375899.db2.gz	YHZFWNQFZBCQLM-ZETCQYMHSA-N	-1	1	324.384	-1.292	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCN(S(C)(=O)=O)C1	ZINC000651815559	409375902	/nfs/dbraw/zinc/37/59/02/409375902.db2.gz	YHZFWNQFZBCQLM-ZETCQYMHSA-N	-1	1	324.384	-1.292	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@@H](CO)CCF)c(=O)n(C)c1=O	ZINC000651896560	409380228	/nfs/dbraw/zinc/38/02/28/409380228.db2.gz	XMQAUXYZLSKAMX-SSDOTTSWSA-N	-1	1	309.319	-1.917	20	0		DAADMM
Cc1o[n-]c(=N)c1S(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1	ZINC000651882169	409381174	/nfs/dbraw/zinc/38/11/74/409381174.db2.gz	FCAIIYQNKXWSJD-SECBINFHSA-N	-1	1	302.356	-1.165	20	0		DAADMM
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCCN2)o1	ZINC000653171788	409336735	/nfs/dbraw/zinc/33/67/35/409336735.db2.gz	JRGCTEWQVJCDJQ-UHFFFAOYSA-N	-1	1	316.339	-1.216	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H]1CN2CCN1CC2	ZINC000290658517	409407574	/nfs/dbraw/zinc/40/75/74/409407574.db2.gz	FMQBDQMJFKHNHN-SECBINFHSA-N	-1	1	301.372	-1.157	20	0		DAADMM
CO[C@H]1C[C@@H](C(N)=O)N(C(=O)CNC(=O)c2ncccc2[O-])C1	ZINC000345000467	409434546	/nfs/dbraw/zinc/43/45/46/409434546.db2.gz	FMUJMIIDPXCCTH-IUCAKERBSA-N	-1	1	322.321	-1.382	20	0		DAADMM
CC[C@@H](C(=O)[O-])N1CCN(C(=O)C(=O)N2CCOCC2)CC1	ZINC000345249862	409436513	/nfs/dbraw/zinc/43/65/13/409436513.db2.gz	DGCBWMJLQMPWBZ-NSHDSACASA-N	-1	1	313.354	-1.147	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC(C)(C)CCO)c(=O)n(C)c1=O	ZINC000228616214	409451720	/nfs/dbraw/zinc/45/17/20/409451720.db2.gz	IKNIJQOSBBQDPB-UHFFFAOYSA-N	-1	1	319.383	-1.229	20	0		DAADMM
CN(C)C(=O)c1nc(C[N-]S(=O)(=O)c2nccn2C)no1	ZINC001193614239	782011346	/nfs/dbraw/zinc/01/13/46/782011346.db2.gz	RYLTZUJXRPZQSL-UHFFFAOYSA-N	-1	1	314.327	-1.017	20	0		DAADMM
NC(=O)[C@@H]1COCCN1C(=O)CNC(=O)c1ncccc1[O-]	ZINC000355023392	409479272	/nfs/dbraw/zinc/47/92/72/409479272.db2.gz	OMHPYDBBFBGNLH-QMMMGPOBSA-N	-1	1	308.294	-1.770	20	0		DAADMM
COC[C@H](C(N)=O)N(C)C(=O)CNC(=O)c1ncccc1[O-]	ZINC000354623968	409481196	/nfs/dbraw/zinc/48/11/96/409481196.db2.gz	NHKROWZRPJNAMP-MRVPVSSYSA-N	-1	1	310.310	-1.524	20	0		DAADMM
COC1(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCC1	ZINC000355729095	409483139	/nfs/dbraw/zinc/48/31/39/409483139.db2.gz	SAOCDZMLPCFEBO-UHFFFAOYSA-N	-1	1	317.367	-1.069	20	0		DAADMM
NC(=O)[C@H]1COCCN1C(=O)CNC(=O)c1ncccc1[O-]	ZINC000355023390	409481448	/nfs/dbraw/zinc/48/14/48/409481448.db2.gz	OMHPYDBBFBGNLH-MRVPVSSYSA-N	-1	1	308.294	-1.770	20	0		DAADMM
COC(=O)c1cn(CC(=O)N(C)C[C@@H](C)c2nn[n-]n2)nn1	ZINC000358414763	409496902	/nfs/dbraw/zinc/49/69/02/409496902.db2.gz	QFHDKUNOAFWLLB-SSDOTTSWSA-N	-1	1	308.302	-1.160	20	0		DAADMM
CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(=O)OC)o1	ZINC000357145044	409489768	/nfs/dbraw/zinc/48/97/68/409489768.db2.gz	LCNLRDTYUXDUAJ-ZCFIWIBFSA-N	-1	1	306.296	-1.549	20	0		DAADMM
CNC(=O)[C@@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])CCO1	ZINC000359609096	409503040	/nfs/dbraw/zinc/50/30/40/409503040.db2.gz	YCBMRWMDVSWVON-JTQLQIEISA-N	-1	1	322.321	-1.510	20	0		DAADMM
CNS(=O)(=O)NCC(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000653028465	409530671	/nfs/dbraw/zinc/53/06/71/409530671.db2.gz	IUBADODFNIOLAI-ZETCQYMHSA-N	-1	1	319.343	-1.465	20	0		DAADMM
Cc1c(C(=O)Nc2nn[n-]n2)cnc2c1c(=O)n(C)c(=O)n2C	ZINC000438837193	409581630	/nfs/dbraw/zinc/58/16/30/409581630.db2.gz	PMJQSWOCDYXKGN-UHFFFAOYSA-N	-1	1	316.281	-1.294	20	0		DAADMM
COC[C@](C)(O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000382565954	409666945	/nfs/dbraw/zinc/66/69/45/409666945.db2.gz	ODRDJFYXRNDWAU-LLVKDONJSA-N	-1	1	321.355	-2.240	20	0		DAADMM
CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)[C@@H]1CCO[C@@H]1C	ZINC000657101599	409676982	/nfs/dbraw/zinc/67/69/82/409676982.db2.gz	UCJMJTUGVIDMIE-UTINFBMNSA-N	-1	1	313.397	-1.105	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H](CO)C2CCC2)c(=O)n(C)c1=O	ZINC000657056566	409678460	/nfs/dbraw/zinc/67/84/60/409678460.db2.gz	MYGGJUOUNGJDOQ-SECBINFHSA-N	-1	1	317.367	-1.477	20	0		DAADMM
C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1(CO)CC1	ZINC000657101297	409678931	/nfs/dbraw/zinc/67/89/31/409678931.db2.gz	ZCBRWUXYWMVTTK-QMMMGPOBSA-N	-1	1	317.367	-1.477	20	0		DAADMM
NC(=O)Cn1ccc(NC(=O)CNC(=O)c2ncccc2[O-])n1	ZINC000343234372	409753682	/nfs/dbraw/zinc/75/36/82/409753682.db2.gz	JOVPLQLVXYAOGW-UHFFFAOYSA-N	-1	1	318.293	-1.163	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]C[C@H](O)Cn1ccnn1	ZINC000577768599	409811043	/nfs/dbraw/zinc/81/10/43/409811043.db2.gz	IJHPVTYUDHTOIF-ZETCQYMHSA-N	-1	1	302.316	-1.504	20	0		DAADMM
Cc1onc(N)c1S(=O)(=O)[N-]CCCn1cc(CO)nn1	ZINC000349814440	409811877	/nfs/dbraw/zinc/81/18/77/409811877.db2.gz	TYXHSOJTXDMGLI-UHFFFAOYSA-N	-1	1	316.343	-0.982	20	0		DAADMM
CCS(=O)(=O)NCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000677793723	545875707	/nfs/dbraw/zinc/87/57/07/545875707.db2.gz	ZVLNYYFHZXWZRA-MRVPVSSYSA-N	-1	1	302.360	-1.155	20	0		DAADMM
CN1CCN(c2cncc(C(=O)N[C@@H]3CO[N-]C3=O)c2)CC1	ZINC001193948443	782024779	/nfs/dbraw/zinc/02/47/79/782024779.db2.gz	XJYFXWREFCMTTD-GFCCVEGCSA-N	-1	1	305.338	-1.007	20	0		DAADMM
CCS(=O)(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)[C@H](C)C1	ZINC000347275931	262543055	/nfs/dbraw/zinc/54/30/55/262543055.db2.gz	NUQFERMTGRSEMQ-SECBINFHSA-N	-1	1	303.388	-1.036	20	0		DAADMM
COC(=O)[C@H](CNC(=O)CNC(=O)c1ncccc1[O-])OC	ZINC000347829669	262547530	/nfs/dbraw/zinc/54/75/30/262547530.db2.gz	HZZFJRKIDWMFPX-VIFPVBQESA-N	-1	1	311.294	-1.179	20	0		DAADMM
NC(=O)[C@@H]1C[C@H](F)CN1C(=O)CNC(=O)c1ncccc1[O-]	ZINC000347232668	263224173	/nfs/dbraw/zinc/22/41/73/263224173.db2.gz	SJOSUAFGVUAYMK-YUMQZZPRSA-N	-1	1	310.285	-1.059	20	0		DAADMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H](O)C(=O)OC	ZINC000226553135	263240861	/nfs/dbraw/zinc/24/08/61/263240861.db2.gz	LUQRTWMNWQDOHC-ZETCQYMHSA-N	-1	1	321.311	-1.601	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]C(C)(C)C(C)(C)O)c(=O)n(C)c1=O	ZINC000221106144	263241141	/nfs/dbraw/zinc/24/11/41/263241141.db2.gz	LUCQBXACQZBPSC-UHFFFAOYSA-N	-1	1	319.383	-1.088	20	0		DAADMM
CC(C)[C@H](O)CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000331263977	263247633	/nfs/dbraw/zinc/24/76/33/263247633.db2.gz	GAXRACRBVMOPOL-SECBINFHSA-N	-1	1	319.383	-1.231	20	0		DAADMM
COCC[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000263652049	263259293	/nfs/dbraw/zinc/25/92/93/263259293.db2.gz	DPBBSVUMPSFFMK-QMMMGPOBSA-N	-1	1	305.356	-1.213	20	0		DAADMM
COC(=O)[C@@]1(NC(=O)CNC(=O)c2ncccc2[O-])CCOC1	ZINC000352603217	263260390	/nfs/dbraw/zinc/26/03/90/263260390.db2.gz	GZEAWELFGXVIDE-CQSZACIVSA-N	-1	1	323.305	-1.035	20	0		DAADMM
CN1C[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1=O	ZINC000329217650	263262212	/nfs/dbraw/zinc/26/22/12/263262212.db2.gz	QNKYEEVZNCPJIH-SSDOTTSWSA-N	-1	1	316.339	-2.407	20	0		DAADMM
CNC(=O)[C@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])CCO1	ZINC000359609097	263281019	/nfs/dbraw/zinc/28/10/19/263281019.db2.gz	YCBMRWMDVSWVON-SNVBAGLBSA-N	-1	1	322.321	-1.510	20	0		DAADMM
COCCN(CCOC)S(=O)(=O)[N-][C@@H](CO)C(=O)OC	ZINC000351948613	263284388	/nfs/dbraw/zinc/28/43/88/263284388.db2.gz	GSTFLAYCSQZSMF-VIFPVBQESA-N	-1	1	314.360	-2.051	20	0		DAADMM
C[C@H](CNC(=O)CNC(=O)c1ncccc1[O-])S(N)(=O)=O	ZINC000350621412	263290549	/nfs/dbraw/zinc/29/05/49/263290549.db2.gz	RGSOGQXCOZZGTD-SSDOTTSWSA-N	-1	1	316.339	-1.690	20	0		DAADMM
COC(=O)[C@@](C)(O)CNC(=O)CNC(=O)c1ncccc1[O-]	ZINC000362423450	263291641	/nfs/dbraw/zinc/29/16/41/263291641.db2.gz	PAQNVEYCVOAVFX-ZDUSSCGKSA-N	-1	1	311.294	-1.443	20	0		DAADMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](CO)C(=O)OC	ZINC000037731946	263294371	/nfs/dbraw/zinc/29/43/71/263294371.db2.gz	BOKGZTRBDCYNHJ-ZETCQYMHSA-N	-1	1	321.311	-1.601	20	0		DAADMM
CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CO)C(=O)NC)o1	ZINC000357509042	263296666	/nfs/dbraw/zinc/29/66/66/263296666.db2.gz	LSNXCXHGNIHBMW-ZETCQYMHSA-N	-1	1	320.323	-1.159	20	0		DAADMM
Cn1ncc2c1[n-]cc(C(=O)NCCC(=O)NC(N)=O)c2=O	ZINC000358393282	263301299	/nfs/dbraw/zinc/30/12/99/263301299.db2.gz	FOHMHEJJCRNJOJ-UHFFFAOYSA-N	-1	1	306.282	-1.011	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CC2(C)COC2)c(=O)n(C)c1=O	ZINC000329462222	263323221	/nfs/dbraw/zinc/32/32/21/263323221.db2.gz	TVCDTXPPMDTRLH-UHFFFAOYSA-N	-1	1	303.340	-1.601	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCC[S@](C)=O)c(=O)n(C)c1=O	ZINC000342503709	263325551	/nfs/dbraw/zinc/32/55/51/263325551.db2.gz	ZXHRKHOQEVNXBY-IBGZPJMESA-N	-1	1	323.396	-1.869	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)CCCC(N)=O)C1	ZINC001194494457	782040256	/nfs/dbraw/zinc/04/02/56/782040256.db2.gz	TZRXGJMXCKVKNM-JTQLQIEISA-N	-1	1	324.385	-1.203	20	0		DAADMM
CC[C@H](F)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001195320059	782065004	/nfs/dbraw/zinc/06/50/04/782065004.db2.gz	WFTGTRXBULBFKL-DJLDLDEBSA-N	-1	1	301.322	-1.482	20	0		DAADMM
CCOC(=O)CS(=O)(=O)[N-]Cc1noc(C(=O)N(C)C)n1	ZINC001195984143	782087847	/nfs/dbraw/zinc/08/78/47/782087847.db2.gz	MOVKLOIQYPMTPE-UHFFFAOYSA-N	-1	1	320.327	-1.246	20	0		DAADMM
O=C(NCc1nn[n-]n1)c1nc(Br)c[nH]c1=O	ZINC001196503182	782104993	/nfs/dbraw/zinc/10/49/93/782104993.db2.gz	BHYHLBPPJRWLSF-UHFFFAOYSA-N	-1	1	300.076	-1.025	20	0		DAADMM
C[C@H]1C[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CO1	ZINC000571674792	336383791	/nfs/dbraw/zinc/38/37/91/336383791.db2.gz	BTRJTFRTXUCGJD-YUMQZZPRSA-N	-1	1	303.340	-1.460	20	0		DAADMM
COC(=O)[C@@H](CN1CCOCC1)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000574630842	341764297	/nfs/dbraw/zinc/76/42/97/341764297.db2.gz	OJGRZOKDPWXSHW-GHMZBOCLSA-N	-1	1	322.383	-1.432	20	0		DAADMM
COc1cccc(CS(=O)(=O)[N-]C(CO)(CO)CO)c1	ZINC001197397413	782132593	/nfs/dbraw/zinc/13/25/93/782132593.db2.gz	ZZAHWLNARQOUNI-UHFFFAOYSA-N	-1	1	305.352	-1.170	20	0		DAADMM
CN(C)C(=O)CC(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001197369846	782132666	/nfs/dbraw/zinc/13/26/66/782132666.db2.gz	MGENJPXKZVKMKL-UHFFFAOYSA-N	-1	1	324.385	-1.379	20	0		DAADMM
CCC[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1nn[n-]n1	ZINC000267619002	521130356	/nfs/dbraw/zinc/13/03/56/521130356.db2.gz	UEQOWEXLFCDGIG-QMMMGPOBSA-N	-1	1	307.314	-1.282	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCn2ncnn2)co1	ZINC000339436881	522263796	/nfs/dbraw/zinc/26/37/96/522263796.db2.gz	HLNPLWWOFRTFFT-UHFFFAOYSA-N	-1	1	300.300	-1.396	20	0		DAADMM
CC[C@@H](O)CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000157852542	522986956	/nfs/dbraw/zinc/98/69/56/522986956.db2.gz	VWULERXVHYXMEH-MRVPVSSYSA-N	-1	1	305.356	-1.477	20	0		DAADMM
C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1CCOC1	ZINC000266141363	525513641	/nfs/dbraw/zinc/51/36/41/525513641.db2.gz	CSOHLAIPJCHJOQ-DTWKUNHWSA-N	-1	1	317.367	-1.213	20	0		DAADMM
O=C(NC1(c2nn[n-]n2)CCCC1)c1cnn(C[C@H](O)CO)c1	ZINC000668868614	545673634	/nfs/dbraw/zinc/67/36/34/545673634.db2.gz	CUWJQPFNZMPERO-JTQLQIEISA-N	-1	1	321.341	-1.051	20	0		DAADMM
C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)O1	ZINC000416539103	545699115	/nfs/dbraw/zinc/69/91/15/545699115.db2.gz	XRVXJDHKGHNTMU-IUCAKERBSA-N	-1	1	317.367	-1.070	20	0		DAADMM
CCOCCS(=O)(=O)NCC(=O)NC(C)(C)c1nn[n-]n1	ZINC000343776874	545706917	/nfs/dbraw/zinc/70/69/17/545706917.db2.gz	IXDYZOGDFQHZFA-UHFFFAOYSA-N	-1	1	320.375	-1.493	20	0		DAADMM
NC(=O)[C@H]1C[C@H](F)CN1C(=O)CNC(=O)c1ncccc1[O-]	ZINC000347232666	545715802	/nfs/dbraw/zinc/71/58/02/545715802.db2.gz	SJOSUAFGVUAYMK-JGVFFNPUSA-N	-1	1	310.285	-1.059	20	0		DAADMM
COC(=O)C1(CS(=O)(=O)[N-]Cc2nnn(C)n2)CCC1	ZINC000331526453	545724139	/nfs/dbraw/zinc/72/41/39/545724139.db2.gz	DNESXPIDDFPDIO-UHFFFAOYSA-N	-1	1	303.344	-1.027	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCN2CCC2)c(=O)n(C)c1=O	ZINC000532776256	545734539	/nfs/dbraw/zinc/73/45/39/545734539.db2.gz	QIIZRLQPPMVJTP-UHFFFAOYSA-N	-1	1	302.356	-1.932	20	0		DAADMM
CN1C(=O)CC[C@H](NC(=O)CNC(=O)c2ncccc2[O-])C1=O	ZINC000425082383	545764171	/nfs/dbraw/zinc/76/41/71/545764171.db2.gz	HDJQOYUEUYFTLJ-QMMMGPOBSA-N	-1	1	320.305	-1.219	20	0		DAADMM
COC(=O)[C@H]([N-]S(=O)(=O)N1CCOC(C)(C)C1)[C@H](C)O	ZINC000444196283	545781560	/nfs/dbraw/zinc/78/15/60/545781560.db2.gz	WGDBIJILUQYPTC-DTWKUNHWSA-N	-1	1	310.372	-1.146	20	0		DAADMM
COC(=O)[C@H]([N-]S(=O)(=O)N1C[C@H](C)OC[C@@H]1C)[C@H](C)O	ZINC000444191890	545781833	/nfs/dbraw/zinc/78/18/33/545781833.db2.gz	JBEFLGVGJNRATE-AATLWQCWSA-N	-1	1	310.372	-1.148	20	0		DAADMM
Cc1cc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[nH]n1	ZINC000737265419	598830673	/nfs/dbraw/zinc/83/06/73/598830673.db2.gz	VIBYVVABGCSRQZ-UHFFFAOYSA-N	-1	1	317.313	-1.092	20	0		DAADMM
Cc1cc(CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)n[nH]1	ZINC000737265419	598830675	/nfs/dbraw/zinc/83/06/75/598830675.db2.gz	VIBYVVABGCSRQZ-UHFFFAOYSA-N	-1	1	317.313	-1.092	20	0		DAADMM
CN(Cc1ccon1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736830276	598856642	/nfs/dbraw/zinc/85/66/42/598856642.db2.gz	SCKZKNMFIDDORZ-UHFFFAOYSA-N	-1	1	318.297	-1.112	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@H](CO)C2)n(C)c1=O	ZINC000737593574	598856967	/nfs/dbraw/zinc/85/69/67/598856967.db2.gz	VKHDACAPEMYPTB-SSDOTTSWSA-N	-1	1	307.314	-1.917	20	0		DAADMM
CCN(CC(C)(C)O)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736511545	598895757	/nfs/dbraw/zinc/89/57/57/598895757.db2.gz	CIAPMOFZACDOMX-UHFFFAOYSA-N	-1	1	323.357	-1.139	20	0		DAADMM
CC(C)[C@H](O)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000735735806	598971688	/nfs/dbraw/zinc/97/16/88/598971688.db2.gz	VQCYJHKKYCDEBH-SSDOTTSWSA-N	-1	1	309.330	-1.307	20	0		DAADMM
CN(CCC(=O)N(C)CC(=O)[O-])CCN1CCCS1(=O)=O	ZINC000830727180	601434776	/nfs/dbraw/zinc/43/47/76/601434776.db2.gz	LXPZEAVQGCIEGF-UHFFFAOYSA-N	-1	1	321.399	-1.113	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](CCO)C2CC2)n(C)c1=O	ZINC000737598064	599044965	/nfs/dbraw/zinc/04/49/65/599044965.db2.gz	XGLQVWHNQMELKF-QMMMGPOBSA-N	-1	1	321.341	-1.163	20	0		DAADMM
Cc1nonc1CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000822530569	599066231	/nfs/dbraw/zinc/06/62/31/599066231.db2.gz	HTBAQDLPVUKVRQ-UHFFFAOYSA-N	-1	1	319.285	-1.432	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NCC[S@](C)=O)n(C)c1=O	ZINC000737598027	599205965	/nfs/dbraw/zinc/20/59/65/599205965.db2.gz	WDFVBKMHNUXVGQ-NRFANRHFSA-N	-1	1	313.343	-1.946	20	0		DAADMM
NS(=O)(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1	ZINC000737764200	599265367	/nfs/dbraw/zinc/26/53/67/599265367.db2.gz	GHUPNVWKKVYQHS-UHFFFAOYSA-N	-1	1	310.343	-1.413	20	0		DAADMM
NS(=O)(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1	ZINC000737764200	599265369	/nfs/dbraw/zinc/26/53/69/599265369.db2.gz	GHUPNVWKKVYQHS-UHFFFAOYSA-N	-1	1	310.343	-1.413	20	0		DAADMM
O=C([O-])CNC(=O)CN1CCC(O)(CN2CCOCC2)CC1	ZINC000821529072	597806355	/nfs/dbraw/zinc/80/63/55/597806355.db2.gz	DIACFIVMHBBQCD-UHFFFAOYSA-N	-1	1	315.370	-1.654	20	0		DAADMM
O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1	ZINC000738306450	598260999	/nfs/dbraw/zinc/26/09/99/598260999.db2.gz	IGGWKYDAJYLHPR-UHFFFAOYSA-N	-1	1	309.311	-1.618	20	0		DAADMM
O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1	ZINC000738306450	598261001	/nfs/dbraw/zinc/26/10/01/598261001.db2.gz	IGGWKYDAJYLHPR-UHFFFAOYSA-N	-1	1	309.311	-1.618	20	0		DAADMM
O=C1NCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000738316448	598271309	/nfs/dbraw/zinc/27/13/09/598271309.db2.gz	UDELLXQHEZRSHE-VIFPVBQESA-N	-1	1	323.338	-1.181	20	0		DAADMM
O=C1NCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000738316448	598271311	/nfs/dbraw/zinc/27/13/11/598271311.db2.gz	UDELLXQHEZRSHE-VIFPVBQESA-N	-1	1	323.338	-1.181	20	0		DAADMM
COC(=O)[C@H](C)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736893697	598298827	/nfs/dbraw/zinc/29/88/27/598298827.db2.gz	SMEOPYGUKBLMAE-ZCFIWIBFSA-N	-1	1	323.313	-1.515	20	0		DAADMM
COC(=O)[C@@H](C)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736893695	598299085	/nfs/dbraw/zinc/29/90/85/598299085.db2.gz	SMEOPYGUKBLMAE-LURJTMIESA-N	-1	1	323.313	-1.515	20	0		DAADMM
O=S1(=O)CCN(CCNc2nccnc2-c2nnn[n-]2)CC1	ZINC000738357515	598342430	/nfs/dbraw/zinc/34/24/30/598342430.db2.gz	DZUFXPNFPIEODQ-UHFFFAOYSA-N	-1	1	324.370	-1.201	20	0		DAADMM
O=S1(=O)CCN(CCNc2nccnc2-c2nn[n-]n2)CC1	ZINC000738357515	598342431	/nfs/dbraw/zinc/34/24/31/598342431.db2.gz	DZUFXPNFPIEODQ-UHFFFAOYSA-N	-1	1	324.370	-1.201	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCCOC2)n(C)c1=O	ZINC000737595060	598365226	/nfs/dbraw/zinc/36/52/26/598365226.db2.gz	DTIBVHVZCMGXTK-ZETCQYMHSA-N	-1	1	307.314	-1.145	20	0		DAADMM
O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCCN1	ZINC000738306956	598370371	/nfs/dbraw/zinc/37/03/71/598370371.db2.gz	MACCVFQGDSWUFP-UHFFFAOYSA-N	-1	1	323.338	-1.228	20	0		DAADMM
O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCCN1	ZINC000738306956	598370372	/nfs/dbraw/zinc/37/03/72/598370372.db2.gz	MACCVFQGDSWUFP-UHFFFAOYSA-N	-1	1	323.338	-1.228	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H](O)C2CC2)n(C)c1=O	ZINC000737597153	598673409	/nfs/dbraw/zinc/67/34/09/598673409.db2.gz	QMCIRSQYPOFPSN-SSDOTTSWSA-N	-1	1	307.314	-1.553	20	0		DAADMM
CN(Cc1cc[nH]n1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736814775	598755889	/nfs/dbraw/zinc/75/58/89/598755889.db2.gz	TWLYKAYHDSGJGG-UHFFFAOYSA-N	-1	1	317.313	-1.376	20	0		DAADMM
CCC[C@@H](O)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736434046	598774471	/nfs/dbraw/zinc/77/44/71/598774471.db2.gz	CIUVJAGALKKVJF-SSDOTTSWSA-N	-1	1	309.330	-1.163	20	0		DAADMM
CCCCN(CCO)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000736455777	599321992	/nfs/dbraw/zinc/32/19/92/599321992.db2.gz	BFHVKUYUYMSGOD-UHFFFAOYSA-N	-1	1	323.357	-1.137	20	0		DAADMM
CN1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1=O	ZINC000736856091	599597240	/nfs/dbraw/zinc/59/72/40/599597240.db2.gz	MGXSEFZYKXATIO-SECBINFHSA-N	-1	1	323.338	-1.229	20	0		DAADMM
CN1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1=O	ZINC000736856091	599597241	/nfs/dbraw/zinc/59/72/41/599597241.db2.gz	MGXSEFZYKXATIO-SECBINFHSA-N	-1	1	323.338	-1.229	20	0		DAADMM
CN(C)C(=O)CN1CCN(C(=O)CNC(C)(C)C(=O)[O-])CC1	ZINC000737350796	599924587	/nfs/dbraw/zinc/92/45/87/599924587.db2.gz	UDHIUYVSYOZGFE-UHFFFAOYSA-N	-1	1	314.386	-1.328	20	0		DAADMM
CN(CC(=O)[O-])C(=O)CCN1CCC[C@H](NS(C)(=O)=O)C1	ZINC000737403031	600159278	/nfs/dbraw/zinc/15/92/78/600159278.db2.gz	QQUMPVXCZHUPQD-JTQLQIEISA-N	-1	1	321.399	-1.067	20	0		DAADMM
CN(CC(=O)[O-])C(=O)CCN1CC[C@@H](NS(C)(=O)=O)C1	ZINC000737403077	600261942	/nfs/dbraw/zinc/26/19/42/600261942.db2.gz	SHCMXSGLDYYVDR-SECBINFHSA-N	-1	1	307.372	-1.457	20	0		DAADMM
CN(CC(=O)[O-])C(=O)CCN1CCCN(S(C)(=O)=O)CC1	ZINC000737401501	600287179	/nfs/dbraw/zinc/28/71/79/600287179.db2.gz	PKEDBOCVKKSIFG-UHFFFAOYSA-N	-1	1	321.399	-1.113	20	0		DAADMM
O=C([O-])CCN(CC(=O)N1CCNC(=O)C1)C[C@@H]1CCCO1	ZINC000739718142	600516346	/nfs/dbraw/zinc/51/63/46/600516346.db2.gz	KIYQKQWSPHEWBQ-NSHDSACASA-N	-1	1	313.354	-1.100	20	0		DAADMM
CNS(=O)(=O)[C@H]1CCCN(CCC(=O)N(C)CC(=O)[O-])C1	ZINC000737551766	600642279	/nfs/dbraw/zinc/64/22/79/600642279.db2.gz	ATBKHKJSLUKWFP-JTQLQIEISA-N	-1	1	321.399	-1.067	20	0		DAADMM
CCN1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])CC1	ZINC000829770191	600887062	/nfs/dbraw/zinc/88/70/62/600887062.db2.gz	FWCDIUPXNONRIZ-NSHDSACASA-N	-1	1	312.370	-1.574	20	0		DAADMM
CN(C)CC(=O)N1CCN(CCC(=O)N(C)CC(=O)[O-])CC1	ZINC000737361435	600976806	/nfs/dbraw/zinc/97/68/06/600976806.db2.gz	TXDHKGPEPHOYIK-UHFFFAOYSA-N	-1	1	314.386	-1.375	20	0		DAADMM
C[C@H](CC(=O)[O-])N1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1	ZINC000827368759	601104633	/nfs/dbraw/zinc/10/46/33/601104633.db2.gz	JOZJFVFJCXUDNE-SNVBAGLBSA-N	-1	1	324.337	-1.044	20	0		DAADMM
C[C@H](CC(=O)[O-])N1CCN(C(=O)CN(C)S(C)(=O)=O)CC1	ZINC000827362991	601106389	/nfs/dbraw/zinc/10/63/89/601106389.db2.gz	XXQHPVBQZZFATI-SNVBAGLBSA-N	-1	1	321.399	-1.115	20	0		DAADMM
O=C([O-])/C=C1/SCC(=O)N1CCCN1C[C@@H](O)[C@@H](O)C1	ZINC000833196522	601156099	/nfs/dbraw/zinc/15/60/99/601156099.db2.gz	VUBUCJXOZIZOFA-RGCVFXBKSA-N	-1	1	302.352	-1.085	20	0		DAADMM
C[C@@H](CNC(=O)Cn1cc(C(=O)[O-])nn1)N1CCN(C)CC1	ZINC000827469704	601200223	/nfs/dbraw/zinc/20/02/23/601200223.db2.gz	HTIYGWUUTKYXQI-JTQLQIEISA-N	-1	1	310.358	-1.272	20	0		DAADMM
C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)N(C)CCC(=O)[O-]	ZINC000827461515	601259929	/nfs/dbraw/zinc/25/99/29/601259929.db2.gz	ZXKLAXYBDQOUQI-NSHDSACASA-N	-1	1	322.431	-1.137	20	0		DAADMM
CN(CCC(=O)NCC(=O)[O-])CCN1CCCS1(=O)=O	ZINC000830727322	601434769	/nfs/dbraw/zinc/43/47/69/601434769.db2.gz	QRNHLFFCPHBUOW-UHFFFAOYSA-N	-1	1	307.372	-1.455	20	0		DAADMM
CNS(=O)(=O)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1	ZINC000826091144	607542158	/nfs/dbraw/zinc/54/21/58/607542158.db2.gz	WLCLOGCSMKDWPM-ZETCQYMHSA-N	-1	1	310.343	-1.215	20	0		DAADMM
CNS(=O)(=O)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1	ZINC000826091144	607542160	/nfs/dbraw/zinc/54/21/60/607542160.db2.gz	WLCLOGCSMKDWPM-ZETCQYMHSA-N	-1	1	310.343	-1.215	20	0		DAADMM
CN1CCN(C[C@@H]2CN(C(=O)CNC(=O)[O-])CCO2)CC1	ZINC000738013497	602422904	/nfs/dbraw/zinc/42/29/04/602422904.db2.gz	ROQTVGMTUZNTIQ-LLVKDONJSA-N	-1	1	300.359	-1.271	20	0		DAADMM
CN(C)CC(=O)N1CCN(C(=O)COCCNC(=O)[O-])CC1	ZINC000739605577	602660265	/nfs/dbraw/zinc/66/02/65/602660265.db2.gz	AGCAMHQXLQBKOE-UHFFFAOYSA-N	-1	1	316.358	-1.497	20	0		DAADMM
O=C(NC[C@H]1CN2CCN1CC2)c1ccc(-c2nn[n-]n2)nc1	ZINC000826435241	607587873	/nfs/dbraw/zinc/58/78/73/607587873.db2.gz	JSRIDWRHSVMYHJ-NSHDSACASA-N	-1	1	314.353	-1.009	20	0		DAADMM
O=C([O-])N1CCOC[C@@H]1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1	ZINC000740347249	602897983	/nfs/dbraw/zinc/89/79/83/602897983.db2.gz	ILQBLUROSOHZPY-HTQZYQBOSA-N	-1	1	312.286	-1.522	20	0		DAADMM
CN1CCN(C)[C@H](CNC(=O)[C@@H]2COCCN2C(=O)[O-])C1	ZINC000739735830	602901118	/nfs/dbraw/zinc/90/11/18/602901118.db2.gz	VPCWCICVVHFKLI-MNOVXSKESA-N	-1	1	300.359	-1.273	20	0		DAADMM
C[C@H](CN1CCN(C)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000738912273	603095034	/nfs/dbraw/zinc/09/50/34/603095034.db2.gz	OXHXWMXACDEOCJ-UTUOFQBUSA-N	-1	1	314.386	-1.148	20	0		DAADMM
C[C@H](CN1CCN(C)CC1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000738912269	603095143	/nfs/dbraw/zinc/09/51/43/603095143.db2.gz	OXHXWMXACDEOCJ-GRYCIOLGSA-N	-1	1	314.386	-1.148	20	0		DAADMM
COCCN(CC(=O)NCCN1CCN(C)CC1)C(=O)[O-]	ZINC000739818817	603106059	/nfs/dbraw/zinc/10/60/59/603106059.db2.gz	QHPUSQMMXBQTBN-UHFFFAOYSA-N	-1	1	302.375	-1.024	20	0		DAADMM
COCCN(CC(=O)NC[C@H]1CN(C)CCN1C)C(=O)[O-]	ZINC000739817918	603113472	/nfs/dbraw/zinc/11/34/72/603113472.db2.gz	IVERWQWGOHFNIV-NSHDSACASA-N	-1	1	302.375	-1.025	20	0		DAADMM
CN1CCN(CCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1	ZINC000739736216	603132413	/nfs/dbraw/zinc/13/24/13/603132413.db2.gz	CPDRKNZDPDMJPH-MNOVXSKESA-N	-1	1	300.359	-1.537	20	0		DAADMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCC(=O)NC(N)=O)n1	ZINC000826356941	607620436	/nfs/dbraw/zinc/62/04/36/607620436.db2.gz	LMCRRBWASIGWDR-UHFFFAOYSA-N	-1	1	322.289	-1.693	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCC(=O)NC(N)=O)n1	ZINC000826356941	607620438	/nfs/dbraw/zinc/62/04/38/607620438.db2.gz	LMCRRBWASIGWDR-UHFFFAOYSA-N	-1	1	322.289	-1.693	20	0		DAADMM
COCCN1CC[C@H](NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])C1	ZINC000828985883	603769617	/nfs/dbraw/zinc/76/96/17/603769617.db2.gz	SJAFBCBFWLIFJD-GARJFASQSA-N	-1	1	301.343	-1.064	20	0		DAADMM
COCCN1CC[C@H](NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])C1	ZINC000828985882	603769768	/nfs/dbraw/zinc/76/97/68/603769768.db2.gz	SJAFBCBFWLIFJD-DCAQKATOSA-N	-1	1	301.343	-1.064	20	0		DAADMM
O=C([O-])N1CCN(C(=O)CN[C@H]2CCCS(=O)(=O)C2)CC1	ZINC000834115534	605962824	/nfs/dbraw/zinc/96/28/24/605962824.db2.gz	LEMQMWKDKFMSCW-JTQLQIEISA-N	-1	1	319.383	-1.025	20	0		DAADMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCO[C@@H](CO)C2)n1	ZINC000822608325	606172930	/nfs/dbraw/zinc/17/29/30/606172930.db2.gz	CXYBAHNKYGZMCQ-SSDOTTSWSA-N	-1	1	308.302	-1.175	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCO[C@@H](CO)C2)n1	ZINC000822608325	606172932	/nfs/dbraw/zinc/17/29/32/606172932.db2.gz	CXYBAHNKYGZMCQ-SSDOTTSWSA-N	-1	1	308.302	-1.175	20	0		DAADMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCO[C@H](CO)C2)n1	ZINC000822608343	606172959	/nfs/dbraw/zinc/17/29/59/606172959.db2.gz	CXYBAHNKYGZMCQ-ZETCQYMHSA-N	-1	1	308.302	-1.175	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCO[C@H](CO)C2)n1	ZINC000822608343	606172960	/nfs/dbraw/zinc/17/29/60/606172960.db2.gz	CXYBAHNKYGZMCQ-ZETCQYMHSA-N	-1	1	308.302	-1.175	20	0		DAADMM
CN(C[C@@H](O)CN1CCOCC1)c1nccnc1-c1nnn[n-]1	ZINC000821595253	606229874	/nfs/dbraw/zinc/22/98/74/606229874.db2.gz	QNDVJQWZKYYCRF-SNVBAGLBSA-N	-1	1	320.357	-1.214	20	0		DAADMM
CN(C[C@@H](O)CN1CCOCC1)c1nccnc1-c1nn[n-]n1	ZINC000821595253	606229875	/nfs/dbraw/zinc/22/98/75/606229875.db2.gz	QNDVJQWZKYYCRF-SNVBAGLBSA-N	-1	1	320.357	-1.214	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@](C)(O)C2)n(C)c1=O	ZINC000822600074	606244187	/nfs/dbraw/zinc/24/41/87/606244187.db2.gz	JJZVBLMDCIRSIS-LBPRGKRZSA-N	-1	1	307.314	-1.775	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NCc2cn[nH]n2)n(C)c1=O	ZINC000822601255	606301185	/nfs/dbraw/zinc/30/11/85/606301185.db2.gz	WFVVQDFOYZNPLM-UHFFFAOYSA-N	-1	1	304.274	-2.006	20	0		DAADMM
CCn1cc(-c2nn[n-]n2)c(=O)n(C[C@H](O)CC(=O)OC)c1=O	ZINC000821565115	606399209	/nfs/dbraw/zinc/39/92/09/606399209.db2.gz	DTTUADBBLTXLGA-SSDOTTSWSA-N	-1	1	324.297	-1.866	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2C[C@H](O)C[C@H](O)C2)n(C)c1=O	ZINC000822601125	606421489	/nfs/dbraw/zinc/42/14/89/606421489.db2.gz	UHAPZCHTSYQYMG-KNVOCYPGSA-N	-1	1	323.313	-2.804	20	0		DAADMM
C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(=O)N(C)C	ZINC000821995061	606428118	/nfs/dbraw/zinc/42/81/18/606428118.db2.gz	YSNZVMACQJGSAG-ZCFIWIBFSA-N	-1	1	322.329	-1.847	20	0		DAADMM
C[C@H](NC(=O)Cn1cccc(-c2nn[n-]n2)c1=O)C(=O)N(C)C	ZINC000820334049	606824637	/nfs/dbraw/zinc/82/46/37/606824637.db2.gz	JPPFSRAJQFEZHP-QMMMGPOBSA-N	-1	1	319.325	-1.379	20	0		DAADMM
COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC(=O)N(C)OC)c1	ZINC000821666752	606866761	/nfs/dbraw/zinc/86/67/61/606866761.db2.gz	COLFJVRSJPLSAE-UHFFFAOYSA-N	-1	1	322.281	-1.165	20	0		DAADMM
C[C@@H]1C(=O)NCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1	ZINC000820643837	606956035	/nfs/dbraw/zinc/95/60/35/606956035.db2.gz	ZSYJQOVBPWEWTB-ZCFIWIBFSA-N	-1	1	305.302	-1.048	20	0		DAADMM
C[C@@H]1C(=O)NCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1	ZINC000820643837	606956036	/nfs/dbraw/zinc/95/60/36/606956036.db2.gz	ZSYJQOVBPWEWTB-ZCFIWIBFSA-N	-1	1	305.302	-1.048	20	0		DAADMM
C[C@H]1OCCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[C@H]1C	ZINC000820819182	607028741	/nfs/dbraw/zinc/02/87/41/607028741.db2.gz	GFONBXAHXGSISM-JGVFFNPUSA-N	-1	1	321.341	-1.122	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(C)(O)CC2)n(C)c1=O	ZINC000822599717	607118219	/nfs/dbraw/zinc/11/82/19/607118219.db2.gz	HCNNYXWOLGBMSQ-UHFFFAOYSA-N	-1	1	321.341	-1.385	20	0		DAADMM
O=C1NC[C@H]2CN(c3cccc(-c4nnn[n-]4)n3)CCN2C1=O	ZINC000823546702	607174184	/nfs/dbraw/zinc/17/41/84/607174184.db2.gz	DNCNJFBNZUUFFI-QMMMGPOBSA-N	-1	1	314.309	-1.591	20	0		DAADMM
O=C1NC[C@H]2CN(c3cccc(-c4nn[n-]n4)n3)CCN2C1=O	ZINC000823546702	607174185	/nfs/dbraw/zinc/17/41/85/607174185.db2.gz	DNCNJFBNZUUFFI-QMMMGPOBSA-N	-1	1	314.309	-1.591	20	0		DAADMM
COC(=O)[C@H]1CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821654965	607207250	/nfs/dbraw/zinc/20/72/50/607207250.db2.gz	BICRABBSYMOEGW-SSDOTTSWSA-N	-1	1	306.286	-1.378	20	0		DAADMM
CCOC(=O)[C@H](C)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821313752	607215995	/nfs/dbraw/zinc/21/59/95/607215995.db2.gz	IHGGQXPSCYGALS-ZETCQYMHSA-N	-1	1	308.302	-1.132	20	0		DAADMM
CCOC(=O)CN(CC)C(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821330332	607216894	/nfs/dbraw/zinc/21/68/94/607216894.db2.gz	HLQXYDDQYZRBIB-UHFFFAOYSA-N	-1	1	308.302	-1.130	20	0		DAADMM
COCCN1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1	ZINC000821691451	607217025	/nfs/dbraw/zinc/21/70/25/607217025.db2.gz	VCGAXPATFKKOQS-UHFFFAOYSA-N	-1	1	321.345	-1.751	20	0		DAADMM
CC(C)N1CC[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1=O	ZINC000820129011	607217189	/nfs/dbraw/zinc/21/71/89/607217189.db2.gz	VHCWQKOPTYJAHW-MRVPVSSYSA-N	-1	1	319.329	-1.416	20	0		DAADMM
COCCOC1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1	ZINC000821691890	607220950	/nfs/dbraw/zinc/22/09/50/607220950.db2.gz	ITDOMYNTXHHJJE-UHFFFAOYSA-N	-1	1	308.302	-1.668	20	0		DAADMM
COCCCOC1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1	ZINC000821687811	607221458	/nfs/dbraw/zinc/22/14/58/607221458.db2.gz	PYDOWWRZFWXQQS-UHFFFAOYSA-N	-1	1	322.329	-1.278	20	0		DAADMM
CCOC(=O)[C@H](C)CNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821313828	607221550	/nfs/dbraw/zinc/22/15/50/607221550.db2.gz	IMDLLOGCTKVBPC-SSDOTTSWSA-N	-1	1	308.302	-1.226	20	0		DAADMM
COC(=O)CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC1	ZINC000821661705	607221636	/nfs/dbraw/zinc/22/16/36/607221636.db2.gz	VIZKHRQDIJQQJW-UHFFFAOYSA-N	-1	1	306.286	-1.378	20	0		DAADMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CC(=O)N(C2CC2)C1	ZINC000823126068	607221759	/nfs/dbraw/zinc/22/17/59/607221759.db2.gz	GXJHIXDTCBQMSJ-ZETCQYMHSA-N	-1	1	317.313	-1.662	20	0		DAADMM
COC(=O)C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC1	ZINC000821657335	607222241	/nfs/dbraw/zinc/22/22/41/607222241.db2.gz	MEVBELKDBRJBEN-MRVPVSSYSA-N	-1	1	320.313	-1.084	20	0		DAADMM
C[C@@H]1COCCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1	ZINC000825007582	607822485	/nfs/dbraw/zinc/82/24/85/607822485.db2.gz	ZOYUISQGWUCXHV-QMMMGPOBSA-N	-1	1	321.341	-1.263	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](CO)CC2CC2)n(C)c1=O	ZINC000826356060	607850801	/nfs/dbraw/zinc/85/08/01/607850801.db2.gz	YUWLLNAJKLXJLC-MRVPVSSYSA-N	-1	1	321.341	-1.163	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@]2(O)CCOC2)n(C)c1=O	ZINC000826356050	607851277	/nfs/dbraw/zinc/85/12/77/607851277.db2.gz	YPPWZWITZFVALH-GFCCVEGCSA-N	-1	1	323.313	-2.173	20	0		DAADMM
CC[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@@H]1O	ZINC000825213479	608018110	/nfs/dbraw/zinc/01/81/10/608018110.db2.gz	YYMYGCDSMJKGSP-SFYZADRCSA-N	-1	1	321.341	-1.529	20	0		DAADMM
Cn1cc(-c2nn[n-]n2)c(=O)n(CC[C@H]2CCOC2=O)c1=O	ZINC000826356389	608095775	/nfs/dbraw/zinc/09/57/75/608095775.db2.gz	OLYHNDSPRVXEHV-ZETCQYMHSA-N	-1	1	306.282	-1.320	20	0		DAADMM
Cc1ccnc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)n1	ZINC000826309030	608096534	/nfs/dbraw/zinc/09/65/34/608096534.db2.gz	AQRFOEYTXWWNCU-UHFFFAOYSA-N	-1	1	300.282	-1.126	20	0		DAADMM
CCS(=O)(=O)NCC(=O)n1ncc(-c2nn[n-]n2)c1N	ZINC000825662700	608119812	/nfs/dbraw/zinc/11/98/12/608119812.db2.gz	AXAQBAJWKRWFOK-UHFFFAOYSA-N	-1	1	300.304	-1.775	20	0		DAADMM
COC1(C)CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1	ZINC000826143905	608373802	/nfs/dbraw/zinc/37/38/02/608373802.db2.gz	VPNRVOXOFODGDB-UHFFFAOYSA-N	-1	1	307.314	-1.511	20	0		DAADMM
NS(=O)(=O)C[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1	ZINC000826394345	608541458	/nfs/dbraw/zinc/54/14/58/608541458.db2.gz	GQCFHSXPZOYAKW-ZETCQYMHSA-N	-1	1	310.343	-1.086	20	0		DAADMM
NS(=O)(=O)C[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1	ZINC000826394345	608541460	/nfs/dbraw/zinc/54/14/60/608541460.db2.gz	GQCFHSXPZOYAKW-ZETCQYMHSA-N	-1	1	310.343	-1.086	20	0		DAADMM
C[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@H]1O	ZINC000824991486	608554871	/nfs/dbraw/zinc/55/48/71/608554871.db2.gz	BLQIGEQPFHOREU-RNFRBKRXSA-N	-1	1	307.314	-1.919	20	0		DAADMM
C[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@H]1O	ZINC000824991485	608554935	/nfs/dbraw/zinc/55/49/35/608554935.db2.gz	BLQIGEQPFHOREU-NKWVEPMBSA-N	-1	1	307.314	-1.919	20	0		DAADMM
O=C1NC[C@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)CCN2C1=O	ZINC000826483031	608833557	/nfs/dbraw/zinc/83/35/57/608833557.db2.gz	YTSNAVJOAPWRHV-QMMMGPOBSA-N	-1	1	317.309	-1.398	20	0		DAADMM
O=C1NC[C@H]2CN(Cc3ccc(-c4nn[n-]n4)o3)CCN2C1=O	ZINC000826483031	608833559	/nfs/dbraw/zinc/83/35/59/608833559.db2.gz	YTSNAVJOAPWRHV-QMMMGPOBSA-N	-1	1	317.309	-1.398	20	0		DAADMM
O=C1NC[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)CCN2C1=O	ZINC000826483030	608833596	/nfs/dbraw/zinc/83/35/96/608833596.db2.gz	YTSNAVJOAPWRHV-MRVPVSSYSA-N	-1	1	317.309	-1.398	20	0		DAADMM
O=C1NC[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)o3)CCN2C1=O	ZINC000826483030	608833598	/nfs/dbraw/zinc/83/35/98/608833598.db2.gz	YTSNAVJOAPWRHV-MRVPVSSYSA-N	-1	1	317.309	-1.398	20	0		DAADMM
NC(=O)[C@H]1CCCCN1C(=O)Cn1ccnc1-c1nnn[n-]1	ZINC000826390017	608892863	/nfs/dbraw/zinc/89/28/63/608892863.db2.gz	OCIVEASDIHBEPL-MRVPVSSYSA-N	-1	1	304.314	-1.070	20	0		DAADMM
NC(=O)[C@H]1CCCCN1C(=O)Cn1ccnc1-c1nn[n-]n1	ZINC000826390017	608892865	/nfs/dbraw/zinc/89/28/65/608892865.db2.gz	OCIVEASDIHBEPL-MRVPVSSYSA-N	-1	1	304.314	-1.070	20	0		DAADMM
Cn1cnn(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1=O	ZINC000826365337	609294734	/nfs/dbraw/zinc/29/47/34/609294734.db2.gz	KGKOSMVCEOZFOT-UHFFFAOYSA-N	-1	1	316.281	-1.100	20	0		DAADMM
Cn1cnn(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1=O	ZINC000826365337	609294736	/nfs/dbraw/zinc/29/47/36/609294736.db2.gz	KGKOSMVCEOZFOT-UHFFFAOYSA-N	-1	1	316.281	-1.100	20	0		DAADMM
C[C@H](O)[C@@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1	ZINC000824687962	609568662	/nfs/dbraw/zinc/56/86/62/609568662.db2.gz	HSBJURDKMHCBTB-JGVFFNPUSA-N	-1	1	321.341	-1.529	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(NCC2(CO)CCC2)n(C)c1=O	ZINC000826356040	609606700	/nfs/dbraw/zinc/60/67/00/609606700.db2.gz	XYXLOLPOPBVWCE-UHFFFAOYSA-N	-1	1	321.341	-1.161	20	0		DAADMM
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H]1COCCO1	ZINC000881803194	663957130	/nfs/dbraw/zinc/95/71/30/663957130.db2.gz	ZBDORIMQOKJLJA-WNWIJWBNSA-N	-1	1	301.390	-1.189	20	0		DAADMM
CCOC(=O)[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000049499759	662305228	/nfs/dbraw/zinc/30/52/28/662305228.db2.gz	GHGGXCMGMQKKKB-ZETCQYMHSA-N	-1	1	319.339	-1.686	20	0		DAADMM
Cn1cnn(CC(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)c1=O	ZINC000969140360	662305896	/nfs/dbraw/zinc/30/58/96/662305896.db2.gz	APKRMOOSBVYKKV-MRVPVSSYSA-N	-1	1	322.329	-2.204	20	0		DAADMM
O=C([C@@H]1CCC(=O)NC1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000969169979	662306729	/nfs/dbraw/zinc/30/67/29/662306729.db2.gz	KEGFNHLCONXIDY-RKDXNWHRSA-N	-1	1	308.342	-1.273	20	0		DAADMM
C[C@H](NC(=O)[C@H]1CCC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000969410680	662315136	/nfs/dbraw/zinc/31/51/36/662315136.db2.gz	SVXHDRAFBQXPJK-WCBMZHEXSA-N	-1	1	322.369	-1.677	20	0		DAADMM
CN1C[C@@H](C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)NC1=O	ZINC000969586416	662323263	/nfs/dbraw/zinc/32/32/63/662323263.db2.gz	KHLWUHIGPXVERO-SFYZADRCSA-N	-1	1	309.330	-1.776	20	0		DAADMM
CN1CC[C@@H](C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)C1=O	ZINC000969645301	662323845	/nfs/dbraw/zinc/32/38/45/662323845.db2.gz	VRTJHOADOYWBPR-RKDXNWHRSA-N	-1	1	308.342	-1.321	20	0		DAADMM
NC(=O)C(=O)N1CC[C@@H](NCc2cc(=O)n3[n-]ccc3n2)C1	ZINC000969776595	662329419	/nfs/dbraw/zinc/32/94/19/662329419.db2.gz	DOQKNPGUCRCHLN-MRVPVSSYSA-N	-1	1	304.310	-1.802	20	0		DAADMM
Cn1cc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)[nH]c1=O	ZINC000969827314	662333417	/nfs/dbraw/zinc/33/34/17/662333417.db2.gz	MAMGCWQUSMSCJY-SSDOTTSWSA-N	-1	1	307.314	-1.046	20	0		DAADMM
O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)c1cnon1	ZINC000969993620	662336825	/nfs/dbraw/zinc/33/68/25/662336825.db2.gz	KWZHTIKGHQRSJH-SCZZXKLOSA-N	-1	1	319.277	-1.215	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-]CCOC2CCC2)c(=O)n(C)c1=O	ZINC000742337398	662345503	/nfs/dbraw/zinc/34/55/03/662345503.db2.gz	YGJFRSJYGNRADO-UHFFFAOYSA-N	-1	1	317.367	-1.069	20	0		DAADMM
O=C(C[C@@H]1CCC(=O)N1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000970247525	662354890	/nfs/dbraw/zinc/35/48/90/662354890.db2.gz	WHMKFJOTNJITNI-DTWKUNHWSA-N	-1	1	308.342	-1.131	20	0		DAADMM
C[C@H](NC(=O)[C@@H]1CCNC1=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000970265361	662355614	/nfs/dbraw/zinc/35/56/14/662355614.db2.gz	PLVBMYFAFYQXNJ-WCBMZHEXSA-N	-1	1	322.369	-1.819	20	0		DAADMM
C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000970355539	662359444	/nfs/dbraw/zinc/35/94/44/662359444.db2.gz	ZICMTKGRKATAFU-CBAPKCEASA-N	-1	1	323.357	-2.274	20	0		DAADMM
NC(=O)c1cc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)c[nH]1	ZINC000970725856	662368786	/nfs/dbraw/zinc/36/87/86/662368786.db2.gz	LENWCQKODPAKDX-MRVPVSSYSA-N	-1	1	319.325	-1.058	20	0		DAADMM
C[C@@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)C1CN(CC(N)=O)C1	ZINC000970736844	662369137	/nfs/dbraw/zinc/36/91/37/662369137.db2.gz	GATOOAMBNQVFJK-SSDOTTSWSA-N	-1	1	319.325	-2.047	20	0		DAADMM
Cn1cc(CCC(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)nn1	ZINC000970876951	662373707	/nfs/dbraw/zinc/37/37/07/662373707.db2.gz	VHUJEPNERRKMME-SECBINFHSA-N	-1	1	320.357	-1.038	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)c2cc(=O)n(C)o2)nc1=O	ZINC001038199709	662375446	/nfs/dbraw/zinc/37/54/46/662375446.db2.gz	WTXIIFRBTXYNRL-MRVPVSSYSA-N	-1	1	322.325	-1.596	20	0		DAADMM
CCS(=O)(=O)N1CCC[C@@H](C(=O)NN2CC(=O)[N-]C2=O)C1	ZINC000050170227	662376015	/nfs/dbraw/zinc/37/60/15/662376015.db2.gz	BSJMTFNEOKDNQE-MRVPVSSYSA-N	-1	1	318.355	-1.369	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]3[C@H](CCCN3C(=O)C(N)=O)C2)nc1=O	ZINC001021661076	662377530	/nfs/dbraw/zinc/37/75/30/662377530.db2.gz	JYONCJDRLXDXIF-ZJUUUORDSA-N	-1	1	322.369	-1.593	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@@H]2CN(C)CCO2)nc1=O	ZINC001038137511	662383057	/nfs/dbraw/zinc/38/30/57/662383057.db2.gz	PEMAOPUYHPVMGW-MNOVXSKESA-N	-1	1	324.385	-1.871	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1	ZINC000971453006	662383456	/nfs/dbraw/zinc/38/34/56/662383456.db2.gz	XBMAZBINRARHQA-DTWKUNHWSA-N	-1	1	324.341	-1.751	20	0		DAADMM
Cn1[n-]c(C[NH2+][C@@H]2C[C@H](NC(=O)[C@H]3COCCN3C)C2)nc1=O	ZINC001021989476	662384108	/nfs/dbraw/zinc/38/41/08/662384108.db2.gz	ACDQMCWUGJTFAD-OUAUKWLOSA-N	-1	1	324.385	-1.824	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)Cn2ncnn2)C1	ZINC000971545098	662385041	/nfs/dbraw/zinc/38/50/41/662385041.db2.gz	JYVHQPORHCMFJS-VIFPVBQESA-N	-1	1	321.345	-2.172	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)c2ccc(=O)[nH]n2)nc1=O	ZINC001038038725	662390733	/nfs/dbraw/zinc/39/07/33/662390733.db2.gz	YLUNGXAWCPNNGS-MRVPVSSYSA-N	-1	1	319.325	-1.392	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)c2ccc(=O)[nH]n2)nc1=O	ZINC001038038727	662390959	/nfs/dbraw/zinc/39/09/59/662390959.db2.gz	YLUNGXAWCPNNGS-QMMMGPOBSA-N	-1	1	319.325	-1.392	20	0		DAADMM
Cn1ncnc1CN[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001022369268	662391215	/nfs/dbraw/zinc/39/12/15/662391215.db2.gz	CZLMESIOWPTZEU-KNVOCYPGSA-N	-1	1	320.313	-1.538	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1	ZINC000971847864	662392272	/nfs/dbraw/zinc/39/22/72/662392272.db2.gz	OCDVQYDAOOPDSD-MRVPVSSYSA-N	-1	1	306.330	-1.427	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1	ZINC000972080736	662399779	/nfs/dbraw/zinc/39/97/79/662399779.db2.gz	VZEZQEIHBLCPSU-UWVGGRQHSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)c2nnn(C)n2)C1	ZINC000972111939	662400489	/nfs/dbraw/zinc/40/04/89/662400489.db2.gz	IZALVYAVDFSCKB-QMMMGPOBSA-N	-1	1	321.345	-2.022	20	0		DAADMM
CN(CC(N)=O)[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC000972554479	662446401	/nfs/dbraw/zinc/44/64/01/662446401.db2.gz	IBRYAHPLGDBHCG-JTQLQIEISA-N	-1	1	323.353	-2.055	20	0		DAADMM
Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccn[nH]3)C[C@H]2O)c1[O-]	ZINC001023412106	662447428	/nfs/dbraw/zinc/44/74/28/662447428.db2.gz	NXYZHXOLZGBFAJ-RKDXNWHRSA-N	-1	1	320.309	-1.238	20	0		DAADMM
CN(CCO)[C@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000972569539	662448352	/nfs/dbraw/zinc/44/83/52/662448352.db2.gz	WNMXJTAMXHQJBY-JTQLQIEISA-N	-1	1	320.353	-1.404	20	0		DAADMM
CNC(=O)CN1CCC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001023468742	662448937	/nfs/dbraw/zinc/44/89/37/662448937.db2.gz	ZFBAOVVDVHIQPH-MRVPVSSYSA-N	-1	1	324.341	-1.529	20	0		DAADMM
O=C(N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O)c1ncccc1[O-]	ZINC001023489207	662450115	/nfs/dbraw/zinc/45/01/15/662450115.db2.gz	QWQNONRGQZJZSO-PSASIEDQSA-N	-1	1	318.293	-1.479	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)c2cnon2)C1	ZINC000972581050	662450470	/nfs/dbraw/zinc/45/04/70/662450470.db2.gz	IPCXXNWESVFKTA-MRVPVSSYSA-N	-1	1	307.314	-1.162	20	0		DAADMM
CN(CC(N)=O)[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC000972719891	662464573	/nfs/dbraw/zinc/46/45/73/662464573.db2.gz	DBNMNZJFBLWENR-QMMMGPOBSA-N	-1	1	319.325	-1.951	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1	ZINC000972764433	662466280	/nfs/dbraw/zinc/46/62/80/662466280.db2.gz	VRBCTMJVIATLGB-ZJUUUORDSA-N	-1	1	322.369	-1.580	20	0		DAADMM
Cn1nnc(C(=O)N2CCCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)n1	ZINC001025047957	662492663	/nfs/dbraw/zinc/49/26/63/662492663.db2.gz	RPHAUCYWQHKQKN-MRVPVSSYSA-N	-1	1	321.345	-1.182	20	0		DAADMM
C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(C)(C)O	ZINC000394022326	662501514	/nfs/dbraw/zinc/50/15/14/662501514.db2.gz	VDZYWRPKABEBED-ZETCQYMHSA-N	-1	1	305.356	-1.478	20	0		DAADMM
O=C(N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1)[C@@H]1CNC(=O)N1	ZINC000973196514	662505750	/nfs/dbraw/zinc/50/57/50/662505750.db2.gz	DTUMSCKVLSJLDM-CIUDSAMLSA-N	-1	1	319.321	-1.154	20	0		DAADMM
O=S(=O)(c1n[n-]c(C2CC2)n1)[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000783706543	662520586	/nfs/dbraw/zinc/52/05/86/662520586.db2.gz	QWEWBXGRPJESAY-NKWVEPMBSA-N	-1	1	307.353	-1.386	20	0		DAADMM
C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H]1CCCN(CC(N)=O)C1	ZINC001025474901	662521758	/nfs/dbraw/zinc/52/17/58/662521758.db2.gz	PMLHPOOGTNCLFO-SFYZADRCSA-N	-1	1	324.341	-1.402	20	0		DAADMM
C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H]1CCCN(CC(N)=O)C1	ZINC001025474900	662522035	/nfs/dbraw/zinc/52/20/35/662522035.db2.gz	PMLHPOOGTNCLFO-JGVFFNPUSA-N	-1	1	324.341	-1.402	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@@H]2CCCNC2=O)nc1=O	ZINC001038361914	662547424	/nfs/dbraw/zinc/54/74/24/662547424.db2.gz	SEQUBOPSRUATHU-VHSXEESVSA-N	-1	1	322.369	-1.675	20	0		DAADMM
O=C(N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)[C@H]1CNC(=O)N1	ZINC000974055689	662548751	/nfs/dbraw/zinc/54/87/51/662548751.db2.gz	DTUMSCKVLSJLDM-HRDYMLBCSA-N	-1	1	319.321	-1.154	20	0		DAADMM
O=C(N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1cnn[nH]1	ZINC000974297778	662557515	/nfs/dbraw/zinc/55/75/15/662557515.db2.gz	OJQOSMKGYXYHRL-SYDPRGILSA-N	-1	1	320.269	-1.908	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1	ZINC000974348483	662558614	/nfs/dbraw/zinc/55/86/14/662558614.db2.gz	PRSLXMSOFQSUSE-OLQVQODUSA-N	-1	1	322.285	-2.115	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1	ZINC000974348483	662558616	/nfs/dbraw/zinc/55/86/16/662558616.db2.gz	PRSLXMSOFQSUSE-OLQVQODUSA-N	-1	1	322.285	-2.115	20	0		DAADMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1	ZINC000979344435	662623386	/nfs/dbraw/zinc/62/33/86/662623386.db2.gz	OOWONNYTQRBRIG-APPZFPTMSA-N	-1	1	322.329	-1.352	20	0		DAADMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)c2cnon2)CCO1	ZINC000979419793	662624543	/nfs/dbraw/zinc/62/45/43/662624543.db2.gz	WLTCBENKZWSVAC-APPZFPTMSA-N	-1	1	323.313	-1.087	20	0		DAADMM
C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1	ZINC000979392680	662624547	/nfs/dbraw/zinc/62/45/47/662624547.db2.gz	FPVCQVJZHRRQFD-YUMQZZPRSA-N	-1	1	322.329	-1.352	20	0		DAADMM
CN([C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1)[C@H]1CCNC1=O	ZINC000980262049	662634496	/nfs/dbraw/zinc/63/44/96/662634496.db2.gz	CRDAIEUBBISHMX-BDAKNGLRSA-N	-1	1	324.341	-1.890	20	0		DAADMM
CN([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC000980262051	662634587	/nfs/dbraw/zinc/63/45/87/662634587.db2.gz	CRDAIEUBBISHMX-DTWKUNHWSA-N	-1	1	324.341	-1.890	20	0		DAADMM
C[C@H](C(N)=O)N(C)[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC000980274600	662634902	/nfs/dbraw/zinc/63/49/02/662634902.db2.gz	HWIHYXSDMIEJHG-SFYZADRCSA-N	-1	1	312.330	-1.904	20	0		DAADMM
CC(C)C[C@H](O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000228549067	662636437	/nfs/dbraw/zinc/63/64/37/662636437.db2.gz	SGNFSHSIOGZSJC-VIFPVBQESA-N	-1	1	319.383	-1.231	20	0		DAADMM
Cn1[n-]c(CN2CCCN(C(=O)Cn3cnnn3)CC2)nc1=O	ZINC000980677696	662638425	/nfs/dbraw/zinc/63/84/25/662638425.db2.gz	RRXJWOBSLZTEKF-UHFFFAOYSA-N	-1	1	321.345	-2.171	20	0		DAADMM
CC[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001027999839	662639968	/nfs/dbraw/zinc/63/99/68/662639968.db2.gz	QZIMHLRHPLTMGZ-HTQZYQBOSA-N	-1	1	324.341	-1.259	20	0		DAADMM
CC[C@H](C(N)=O)N1CCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001027999839	662639969	/nfs/dbraw/zinc/63/99/69/662639969.db2.gz	QZIMHLRHPLTMGZ-HTQZYQBOSA-N	-1	1	324.341	-1.259	20	0		DAADMM
Cc1nn[nH]c1C(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1	ZINC001028064513	662642738	/nfs/dbraw/zinc/64/27/38/662642738.db2.gz	KRWYMBLIQVJXDD-SECBINFHSA-N	-1	1	320.357	-1.071	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H]2CNC(=O)[C@H]2CCNC2=O)nc1=O	ZINC001028071844	662643325	/nfs/dbraw/zinc/64/33/25/662643325.db2.gz	GKCJONGDPRJHRV-UWVGGRQHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3cnns3)C2)nc1=O	ZINC001010319338	662644670	/nfs/dbraw/zinc/64/46/70/662644670.db2.gz	QSRGNVVRWHILDL-ZETCQYMHSA-N	-1	1	309.355	-1.036	20	0		DAADMM
Cn1[n-]c(CN2CCCN(C(=O)c3cn[nH]n3)CC2)nc1=O	ZINC000981531812	662645267	/nfs/dbraw/zinc/64/52/67/662645267.db2.gz	KQQCFNOTHDWTKB-UHFFFAOYSA-N	-1	1	306.330	-1.425	20	0		DAADMM
Cn1[n-]c(CN2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)nc1=O	ZINC000981971967	662650701	/nfs/dbraw/zinc/65/07/01/662650701.db2.gz	IATSXIQXSJCQGC-ZJUUUORDSA-N	-1	1	322.369	-1.736	20	0		DAADMM
Cn1[n-]c(CN2CCCN(C(=O)c3nc[nH]n3)CC2)nc1=O	ZINC000982275648	662653992	/nfs/dbraw/zinc/65/39/92/662653992.db2.gz	NUVCSOPQLABDOV-UHFFFAOYSA-N	-1	1	306.330	-1.425	20	0		DAADMM
Cn1[n-]c(CN2CCCN(C(=O)c3cnon3)CC2)nc1=O	ZINC000982317878	662655654	/nfs/dbraw/zinc/65/56/54/662655654.db2.gz	SYHSXYYPVKMRMC-UHFFFAOYSA-N	-1	1	307.314	-1.161	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCNc1cnccn1	ZINC000726867220	662681359	/nfs/dbraw/zinc/68/13/59/662681359.db2.gz	CKBKMLIEUQWBBX-UHFFFAOYSA-N	-1	1	304.310	-1.055	20	0		DAADMM
C[C@@H](C(N)=O)N1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001028661778	662684079	/nfs/dbraw/zinc/68/40/79/662684079.db2.gz	PBZNHBRYAXKWLD-NKWVEPMBSA-N	-1	1	310.314	-1.792	20	0		DAADMM
Cn1nnc(C(=O)NC[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001028744586	662690206	/nfs/dbraw/zinc/69/02/06/662690206.db2.gz	OPCVZBSUAXIIHM-MRVPVSSYSA-N	-1	1	321.345	-2.116	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)nc1=O	ZINC001028807962	662691940	/nfs/dbraw/zinc/69/19/40/662691940.db2.gz	YHYPQYQBAPYKFR-AEJSXWLSSA-N	-1	1	322.369	-1.832	20	0		DAADMM
C[C@@H]1CN(CCNC(=O)CCn2cc[n-]c(=O)c2=O)CCO1	ZINC000727853241	662706599	/nfs/dbraw/zinc/70/65/99/662706599.db2.gz	FUFPJGHWGRBAJU-LLVKDONJSA-N	-1	1	310.354	-1.236	20	0		DAADMM
C[C@H]1CN(CCNC(=O)CCn2cc[n-]c(=O)c2=O)CCO1	ZINC000727853242	662706684	/nfs/dbraw/zinc/70/66/84/662706684.db2.gz	FUFPJGHWGRBAJU-NSHDSACASA-N	-1	1	310.354	-1.236	20	0		DAADMM
COCC(=O)N1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC000727849993	662706897	/nfs/dbraw/zinc/70/68/97/662706897.db2.gz	PRNWTEXCLUNFQG-UHFFFAOYSA-N	-1	1	324.337	-1.756	20	0		DAADMM
CO[N-]C(=O)CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC000896702995	662707837	/nfs/dbraw/zinc/70/78/37/662707837.db2.gz	SLOPKMXHVYLBSB-GHMZBOCLSA-N	-1	1	300.359	-1.095	20	0		DAADMM
COC(=O)[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)CCO1	ZINC000728610504	662710445	/nfs/dbraw/zinc/71/04/45/662710445.db2.gz	YSIGCQYYTWWMGL-VIFPVBQESA-N	-1	1	311.294	-1.673	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1	ZINC001029802979	662712083	/nfs/dbraw/zinc/71/20/83/662712083.db2.gz	IADVHLNETNNABZ-UWVGGRQHSA-N	-1	1	322.369	-1.073	20	0		DAADMM
CN(CC(N)=O)C1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC000985519815	662712304	/nfs/dbraw/zinc/71/23/04/662712304.db2.gz	CBJQGSZHJLEWSO-UHFFFAOYSA-N	-1	1	310.314	-1.696	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1	ZINC001029822038	662712545	/nfs/dbraw/zinc/71/25/45/662712545.db2.gz	XRHSXWZLGKTMCS-IUCAKERBSA-N	-1	1	323.357	-1.528	20	0		DAADMM
C[C@@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CS(C)(=O)=O	ZINC000986041882	662715595	/nfs/dbraw/zinc/71/55/95/662715595.db2.gz	MYDHCFXLOAMINW-SFYZADRCSA-N	-1	1	317.371	-1.366	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CN1CCOCC1	ZINC000986172577	662715948	/nfs/dbraw/zinc/71/59/48/662715948.db2.gz	FTRMTQMXBZJNNV-QWRGUYRKSA-N	-1	1	324.385	-1.079	20	0		DAADMM
C[C@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)Cn1nccn1	ZINC000986312543	662716719	/nfs/dbraw/zinc/71/67/19/662716719.db2.gz	UPLVOTLMHCCVBX-DTWKUNHWSA-N	-1	1	306.330	-1.119	20	0		DAADMM
C[C@@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)Cn1ncnn1	ZINC000986285235	662716818	/nfs/dbraw/zinc/71/68/18/662716818.db2.gz	DMTMLSBKMUWJDP-HTQZYQBOSA-N	-1	1	307.318	-1.724	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)c1nnn(C)n1	ZINC000986666517	662719227	/nfs/dbraw/zinc/71/92/27/662719227.db2.gz	WZBFLLDSXPMEFW-BQBZGAKWSA-N	-1	1	307.318	-1.573	20	0		DAADMM
C[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CN1CCOCC1	ZINC000988648854	662729309	/nfs/dbraw/zinc/72/93/09/662729309.db2.gz	AEONCIOQJNVZOR-MNOVXSKESA-N	-1	1	324.385	-1.079	20	0		DAADMM
C[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CN1CCOCC1	ZINC000988648858	662729475	/nfs/dbraw/zinc/72/94/75/662729475.db2.gz	AEONCIOQJNVZOR-WDEREUQCSA-N	-1	1	324.385	-1.079	20	0		DAADMM
C[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CN1CN=NC1=O	ZINC000988665203	662730200	/nfs/dbraw/zinc/73/02/00/662730200.db2.gz	FPGHDNJWQNCMRG-HTQZYQBOSA-N	-1	1	322.329	-1.413	20	0		DAADMM
O=C(Cn1ncnn1)N1CC[C@H](NC(=O)c2ncccc2[O-])C1	ZINC000937860707	662732709	/nfs/dbraw/zinc/73/27/09/662732709.db2.gz	MLIXJNPJASCBJO-VIFPVBQESA-N	-1	1	317.309	-1.195	20	0		DAADMM
C[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CCn1cnnn1	ZINC000989600785	662749117	/nfs/dbraw/zinc/74/91/17/662749117.db2.gz	MPWZGKBUMHJZLS-IUCAKERBSA-N	-1	1	321.345	-1.334	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)Cn3ncnn3)C2)nc1=O	ZINC001014431668	662750783	/nfs/dbraw/zinc/75/07/83/662750783.db2.gz	UMWSKSUKAZIJCJ-QMMMGPOBSA-N	-1	1	307.318	-2.514	20	0		DAADMM
C[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)Cn1cncn1	ZINC000989761872	662751152	/nfs/dbraw/zinc/75/11/52/662751152.db2.gz	AYERCWCHLOKTKR-BDAKNGLRSA-N	-1	1	306.330	-1.119	20	0		DAADMM
C[C@H]1C[C@H]1C(=O)NC1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC000990130729	662753558	/nfs/dbraw/zinc/75/35/58/662753558.db2.gz	RMSFXWQGRCMQQC-GXSJLCMTSA-N	-1	1	320.349	-1.090	20	0		DAADMM
C[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC000990130731	662753744	/nfs/dbraw/zinc/75/37/44/662753744.db2.gz	RMSFXWQGRCMQQC-MWLCHTKSSA-N	-1	1	320.349	-1.090	20	0		DAADMM
CC(C)C(=O)NC1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC000990264988	662757457	/nfs/dbraw/zinc/75/74/57/662757457.db2.gz	CXZCTMJNOMKBTD-UHFFFAOYSA-N	-1	1	308.338	-1.090	20	0		DAADMM
CN1CCC[C@@H]1C(=O)NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000990520127	662764214	/nfs/dbraw/zinc/76/42/14/662764214.db2.gz	WDZPGHBSSYNVJZ-MRVPVSSYSA-N	-1	1	322.325	-1.682	20	0		DAADMM
O=C(CCn1cnnn1)N1CC(NC(=O)c2ncccc2[O-])C1	ZINC000990972513	662788105	/nfs/dbraw/zinc/78/81/05/662788105.db2.gz	RHMYUTDWTPRNRI-UHFFFAOYSA-N	-1	1	317.309	-1.195	20	0		DAADMM
CN1C[C@@H](C(=O)N2CC(NC(=O)c3ncccc3[O-])C2)NC1=O	ZINC000990976087	662788365	/nfs/dbraw/zinc/78/83/65/662788365.db2.gz	VVFHLRDBUADCHM-VIFPVBQESA-N	-1	1	319.321	-1.249	20	0		DAADMM
O=C(NC1CN(C(=O)[C@@H]2CCNC2=O)C1)c1ncccc1[O-]	ZINC000990976151	662788393	/nfs/dbraw/zinc/78/83/93/662788393.db2.gz	WIZVLCQXYBUBRT-SECBINFHSA-N	-1	1	304.306	-1.136	20	0		DAADMM
CC(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@@H]1O	ZINC000991160290	662803808	/nfs/dbraw/zinc/80/38/08/662803808.db2.gz	ZBSCKOINTHIJNR-QWRGUYRKSA-N	-1	1	324.337	-1.975	20	0		DAADMM
CC(=O)N[C@@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@@H]1O	ZINC000991160289	662803815	/nfs/dbraw/zinc/80/38/15/662803815.db2.gz	ZBSCKOINTHIJNR-MNOVXSKESA-N	-1	1	324.337	-1.975	20	0		DAADMM
CC(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1O	ZINC000991160291	662803854	/nfs/dbraw/zinc/80/38/54/662803854.db2.gz	ZBSCKOINTHIJNR-WDEREUQCSA-N	-1	1	324.337	-1.975	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CC(=O)N(C)C1=O	ZINC000912549933	663153641	/nfs/dbraw/zinc/15/36/41/663153641.db2.gz	IXLMKZWFKULIBU-LURJTMIESA-N	-1	1	316.295	-1.768	20	0		DAADMM
Cn1cc(C(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)cn1	ZINC001038054440	663153846	/nfs/dbraw/zinc/15/38/46/663153846.db2.gz	HMWLNZJMUUFQIW-SNVBAGLBSA-N	-1	1	305.342	-1.154	20	0		DAADMM
Cn1nccc1C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001038099561	663160792	/nfs/dbraw/zinc/16/07/92/663160792.db2.gz	LFOFLKTXIVCYHI-SECBINFHSA-N	-1	1	305.342	-1.154	20	0		DAADMM
Cn1nccc1C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001038099562	663160869	/nfs/dbraw/zinc/16/08/69/663160869.db2.gz	LFOFLKTXIVCYHI-VIFPVBQESA-N	-1	1	305.342	-1.154	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3ccc(=O)[nH]n3)C2)nc1=O	ZINC001030071236	663163301	/nfs/dbraw/zinc/16/33/01/663163301.db2.gz	JCQHVMXWKXNPGI-UHFFFAOYSA-N	-1	1	305.298	-1.782	20	0		DAADMM
C[C@@H](C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1)n1cccn1	ZINC001030125668	663165796	/nfs/dbraw/zinc/16/57/96/663165796.db2.gz	WFUAFXMNAJRIFM-VIFPVBQESA-N	-1	1	305.342	-1.134	20	0		DAADMM
CCn1cc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC001030166697	663168153	/nfs/dbraw/zinc/16/81/53/663168153.db2.gz	SMKMLFDQXFQIMB-UHFFFAOYSA-N	-1	1	305.342	-1.061	20	0		DAADMM
CC(=O)N1CC[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H](O)C1	ZINC000991621416	663172818	/nfs/dbraw/zinc/17/28/18/663172818.db2.gz	YWHLFPKDKKXRFH-SCZZXKLOSA-N	-1	1	320.309	-1.871	20	0		DAADMM
CC(=O)N1CC[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@H](O)C1	ZINC000991621420	663172860	/nfs/dbraw/zinc/17/28/60/663172860.db2.gz	YWHLFPKDKKXRFH-WCBMZHEXSA-N	-1	1	320.309	-1.871	20	0		DAADMM
C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)NC(N)=O)o1	ZINC000046314998	663175607	/nfs/dbraw/zinc/17/56/07/663175607.db2.gz	DMMJEMCLEJHAEE-RXMQYKEDSA-N	-1	1	319.295	-1.072	20	0		DAADMM
COc1cc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)ncn1	ZINC001030320528	663179039	/nfs/dbraw/zinc/17/90/39/663179039.db2.gz	CVWSKWKYZSPWTR-UHFFFAOYSA-N	-1	1	319.325	-1.479	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@]3(C)CCNC(=O)C3)C2)nc1=O	ZINC001030518717	663199689	/nfs/dbraw/zinc/19/96/89/663199689.db2.gz	IBJOKBKCQVIIHG-CQSZACIVSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@H]3CCN(C)C(=O)C3)C2)nc1=O	ZINC001030539636	663200338	/nfs/dbraw/zinc/20/03/38/663200338.db2.gz	IKZJYHSHMJRUSF-VIFPVBQESA-N	-1	1	322.369	-1.723	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3cnn(CCF)c3)C2)nc1=O	ZINC001030585692	663202193	/nfs/dbraw/zinc/20/21/93/663202193.db2.gz	FEWBJTGJMVHBFL-UHFFFAOYSA-N	-1	1	323.332	-1.111	20	0		DAADMM
O=C(COc1ccccc1)NCC(=O)NN1CC(=O)[N-]C1=O	ZINC000061715094	663208184	/nfs/dbraw/zinc/20/81/84/663208184.db2.gz	WXMLZOUKBRAPLA-UHFFFAOYSA-N	-1	1	306.278	-1.235	20	0		DAADMM
Cc1cc(C)n(CC(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001030641101	663209334	/nfs/dbraw/zinc/20/93/34/663209334.db2.gz	SPJQMQZZVFKCII-UHFFFAOYSA-N	-1	1	319.369	-1.078	20	0		DAADMM
CCn1cc(CC(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001030718617	663216533	/nfs/dbraw/zinc/21/65/33/663216533.db2.gz	HQHPQEYBKFNRBV-UHFFFAOYSA-N	-1	1	320.357	-1.737	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@@H]3CCNC(=O)CC3)C2)nc1=O	ZINC001030744277	663218140	/nfs/dbraw/zinc/21/81/40/663218140.db2.gz	FWQLDIWZXOAALQ-VIFPVBQESA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@H]3CCNC(=O)CC3)C2)nc1=O	ZINC001030744276	663218422	/nfs/dbraw/zinc/21/84/22/663218422.db2.gz	FWQLDIWZXOAALQ-SECBINFHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cc1nc(CN2CC(NC(=O)c3cnc([O-])n(C)c3=O)C2)n[nH]1	ZINC001030779535	663221441	/nfs/dbraw/zinc/22/14/41/663221441.db2.gz	CAFRIWCBKPOYMN-UHFFFAOYSA-N	-1	1	319.325	-1.473	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@@H]3CCC(=O)N3C)C2)nc1=O	ZINC001030800221	663224669	/nfs/dbraw/zinc/22/46/69/663224669.db2.gz	TVEPMFOWYKJCRF-VIFPVBQESA-N	-1	1	308.342	-1.970	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)[C@@]3(C)CCC(=O)NC3)C2)nc1=O	ZINC001030822528	663225805	/nfs/dbraw/zinc/22/58/05/663225805.db2.gz	IVJHWOATXATPQP-AWEZNQCLSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cc1nc[nH]c(=O)c1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001030821747	663226102	/nfs/dbraw/zinc/22/61/02/663226102.db2.gz	KBLIODXTNVZZNS-UHFFFAOYSA-N	-1	1	319.325	-1.473	20	0		DAADMM
Cn1[n-]c(CN2CC(NC(=O)c3cc(C(N)=O)co3)C2)nc1=O	ZINC001030938992	663236504	/nfs/dbraw/zinc/23/65/04/663236504.db2.gz	DLAOOCRLZIBVTJ-UHFFFAOYSA-N	-1	1	320.309	-1.586	20	0		DAADMM
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001030967725	663239509	/nfs/dbraw/zinc/23/95/09/663239509.db2.gz	JMMLKNZAKQSJLA-VHSXEESVSA-N	-1	1	322.369	-1.867	20	0		DAADMM
C[C@H](C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1)[C@@H]1CCC(=O)N1	ZINC001030987433	663241540	/nfs/dbraw/zinc/24/15/40/663241540.db2.gz	OWHBCIWPHXSMMH-WPRPVWTQSA-N	-1	1	322.369	-1.677	20	0		DAADMM
Cc1ccnn1CC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031029863	663243259	/nfs/dbraw/zinc/24/32/59/663243259.db2.gz	GTMJSGCXQUUVAS-UHFFFAOYSA-N	-1	1	305.342	-1.386	20	0		DAADMM
CCCn1cc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001031159826	663252653	/nfs/dbraw/zinc/25/26/53/663252653.db2.gz	PRASAJPDGPCRGE-UHFFFAOYSA-N	-1	1	320.357	-1.276	20	0		DAADMM
Cc1cc(=O)c(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)c[nH]1	ZINC001031196558	663254431	/nfs/dbraw/zinc/25/44/31/663254431.db2.gz	ZXVNGILSAIZHDF-UHFFFAOYSA-N	-1	1	318.337	-1.281	20	0		DAADMM
CC(C)[C@@H]1C(=O)NCCN1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000731225829	663254466	/nfs/dbraw/zinc/25/44/66/663254466.db2.gz	UFMJRUFQULRDCW-LLVKDONJSA-N	-1	1	308.338	-1.090	20	0		DAADMM
CC(C)[C@H]1C(=O)NCCN1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000731225830	663254558	/nfs/dbraw/zinc/25/45/58/663254558.db2.gz	UFMJRUFQULRDCW-NSHDSACASA-N	-1	1	308.338	-1.090	20	0		DAADMM
NC(=O)C([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)C(N)=O	ZINC000731602555	663255578	/nfs/dbraw/zinc/25/55/78/663255578.db2.gz	IZXJGWQISCBCNJ-UHFFFAOYSA-N	-1	1	315.232	-1.074	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)nc1=O	ZINC001015634542	663257519	/nfs/dbraw/zinc/25/75/19/663257519.db2.gz	MGHDCNWMBDYEQI-HTQZYQBOSA-N	-1	1	309.330	-2.520	20	0		DAADMM
CN(C)C(=O)CN1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001031249758	663261174	/nfs/dbraw/zinc/26/11/74/663261174.db2.gz	HAAOMNKYRBAVBL-UHFFFAOYSA-N	-1	1	319.325	-2.080	20	0		DAADMM
C[C@@H](C(N)=O)N1CC(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1	ZINC001031251709	663262325	/nfs/dbraw/zinc/26/23/25/663262325.db2.gz	VQAKQIJTIAJSEH-LURJTMIESA-N	-1	1	305.298	-2.295	20	0		DAADMM
O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCc2[nH]nnc2C1	ZINC001031250994	663262625	/nfs/dbraw/zinc/26/26/25/663262625.db2.gz	UTGFDIJVQDALDW-SSDOTTSWSA-N	-1	1	318.341	-1.266	20	0		DAADMM
O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCc2nn[nH]c2C1	ZINC001031250994	663262628	/nfs/dbraw/zinc/26/26/28/663262628.db2.gz	UTGFDIJVQDALDW-SSDOTTSWSA-N	-1	1	318.341	-1.266	20	0		DAADMM
Cc1nc[nH]c1CC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031313383	663278982	/nfs/dbraw/zinc/27/89/82/663278982.db2.gz	LEBSBCCQFHRGAG-UHFFFAOYSA-N	-1	1	305.342	-1.317	20	0		DAADMM
CCNC(=O)N1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC000733125805	663280545	/nfs/dbraw/zinc/28/05/45/663280545.db2.gz	NGWFUGBPPPVRIR-UHFFFAOYSA-N	-1	1	323.353	-1.200	20	0		DAADMM
C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cnc[nH]c3=O)C2)C1	ZINC000994430215	663284697	/nfs/dbraw/zinc/28/46/97/663284697.db2.gz	VTUCAIPDFGYFQW-NSHDSACASA-N	-1	1	321.337	-1.547	20	0		DAADMM
CS(C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CN2CCN1CCC2	ZINC000917062460	663286004	/nfs/dbraw/zinc/28/60/04/663286004.db2.gz	WMEDGQFMHADSFV-SNVBAGLBSA-N	-1	1	310.445	-1.062	20	0		DAADMM
COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001031578213	663300156	/nfs/dbraw/zinc/30/01/56/663300156.db2.gz	HPNQJPDBIZZUPT-VHSXEESVSA-N	-1	1	323.353	-1.535	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)c3nccnc3N)C2)nc1=O	ZINC001031588356	663301160	/nfs/dbraw/zinc/30/11/60/663301160.db2.gz	AYELWFWSQDPRSI-UHFFFAOYSA-N	-1	1	318.341	-1.658	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)c2c[nH]c(=O)n2C)nc1=O	ZINC001038589257	663333634	/nfs/dbraw/zinc/33/36/34/663333634.db2.gz	XQELOIZXKDLPNP-QMMMGPOBSA-N	-1	1	321.341	-1.448	20	0		DAADMM
C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC000939039824	663341313	/nfs/dbraw/zinc/34/13/13/663341313.db2.gz	OMZOGTWBKSJKCZ-JGVFFNPUSA-N	-1	1	308.342	-1.288	20	0		DAADMM
C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC000939039825	663341706	/nfs/dbraw/zinc/34/17/06/663341706.db2.gz	OMZOGTWBKSJKCZ-SFYZADRCSA-N	-1	1	308.342	-1.288	20	0		DAADMM
Cn1nnc(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)n1	ZINC000940130310	663368557	/nfs/dbraw/zinc/36/85/57/663368557.db2.gz	LBQDXDKMSJGFJJ-MRVPVSSYSA-N	-1	1	317.309	-1.045	20	0		DAADMM
O=C(N[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1)c1ncccc1[O-]	ZINC000940135481	663368617	/nfs/dbraw/zinc/36/86/17/663368617.db2.gz	AIVCOPXBUKFTCK-RKDXNWHRSA-N	-1	1	319.321	-1.201	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)c3c[nH]c(=O)n3C)C2)nc1=O	ZINC001031898223	663376753	/nfs/dbraw/zinc/37/67/53/663376753.db2.gz	DDDOSPGTHOLLQH-UHFFFAOYSA-N	-1	1	321.341	-1.591	20	0		DAADMM
CN1CC[C@H](C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)C1=O	ZINC001031910847	663380440	/nfs/dbraw/zinc/38/04/40/663380440.db2.gz	RVRWEFJQHWMYSV-SNVBAGLBSA-N	-1	1	322.369	-1.865	20	0		DAADMM
Cn1[n-]c(CN2CC(CNC(=O)[C@H]3CCC(=O)N3C)C2)nc1=O	ZINC001031917232	663382128	/nfs/dbraw/zinc/38/21/28/663382128.db2.gz	ROMGROAOAXFHFH-SNVBAGLBSA-N	-1	1	322.369	-1.723	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@@H]2CCNC2=O)nc1=O	ZINC001038595591	663382300	/nfs/dbraw/zinc/38/23/00/663382300.db2.gz	UFQLDOHGTMZYMG-DTWKUNHWSA-N	-1	1	308.342	-2.065	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)C(N)=O)C(C)(C)C2)nc1=O	ZINC000940994945	663382816	/nfs/dbraw/zinc/38/28/16/663382816.db2.gz	ZYUYGWSLJFGNOR-MRVPVSSYSA-N	-1	1	310.358	-1.690	20	0		DAADMM
O=C(N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1cnn[nH]1	ZINC000941443302	663393661	/nfs/dbraw/zinc/39/36/61/663393661.db2.gz	MDJYOKFXGCDYSX-RXMQYKEDSA-N	-1	1	320.269	-1.955	20	0		DAADMM
O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(C(=O)c2ccn[nH]2)C1	ZINC000941934880	663407328	/nfs/dbraw/zinc/40/73/28/663407328.db2.gz	YBMMSMOORJSYFQ-SSDOTTSWSA-N	-1	1	321.297	-1.557	20	0		DAADMM
Cn1nnc(C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)n1	ZINC000942192692	663415611	/nfs/dbraw/zinc/41/56/11/663415611.db2.gz	VYNAIVXYPFECBK-MRVPVSSYSA-N	-1	1	317.309	-1.045	20	0		DAADMM
CNC(=O)CN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](C)C1	ZINC000942305216	663420086	/nfs/dbraw/zinc/42/00/86/663420086.db2.gz	SPLFVXFZWIRCBB-YUMQZZPRSA-N	-1	1	324.341	-1.531	20	0		DAADMM
Cn1ncc(C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001032048515	663429499	/nfs/dbraw/zinc/42/94/99/663429499.db2.gz	YUNJKUNGBUOGQK-UHFFFAOYSA-N	-1	1	306.330	-1.901	20	0		DAADMM
CCn1cc(C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001032081730	663434636	/nfs/dbraw/zinc/43/46/36/663434636.db2.gz	YTEAHWCJZHRQRL-UHFFFAOYSA-N	-1	1	320.357	-1.418	20	0		DAADMM
CC1(C)CN(C(=O)Cn2cnnn2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC000995419139	663440999	/nfs/dbraw/zinc/44/09/99/663440999.db2.gz	YHPQQJGPCRECBC-MRVPVSSYSA-N	-1	1	321.345	-1.476	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC1CN(CC(N)=O)C1	ZINC001032127389	663441132	/nfs/dbraw/zinc/44/11/32/663441132.db2.gz	RHKOIOWWLUBERK-UHFFFAOYSA-N	-1	1	311.298	-1.957	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3cccnn3)C2)nc1=O	ZINC001015889025	663446085	/nfs/dbraw/zinc/44/60/85/663446085.db2.gz	MIRIQTRVIHGWMS-SECBINFHSA-N	-1	1	303.326	-1.097	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cn[nH]c2)nc1=O	ZINC001032292654	663483171	/nfs/dbraw/zinc/48/31/71/663483171.db2.gz	KPXQTQCYCOGRSM-UWVGGRQHSA-N	-1	1	303.326	-1.070	20	0		DAADMM
CC1(C)CN(C(=O)[C@@H]2CNC(=O)N2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC000996211915	663484295	/nfs/dbraw/zinc/48/42/95/663484295.db2.gz	JUSCSOCJGOUBMM-YUMQZZPRSA-N	-1	1	323.357	-1.482	20	0		DAADMM
COCC(=O)N1CC(NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1	ZINC000996397631	663486094	/nfs/dbraw/zinc/48/60/94/663486094.db2.gz	PMWKTJXKNIAYSA-UHFFFAOYSA-N	-1	1	312.282	-1.517	20	0		DAADMM
O=C(NC1CN(C(=O)C(F)F)C1)c1cc(=O)n2[n-]cnc2n1	ZINC000996408414	663486111	/nfs/dbraw/zinc/48/61/11/663486111.db2.gz	OXCMAJJBPNFNLY-UHFFFAOYSA-N	-1	1	312.236	-1.377	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1CN(C(=O)C(N)=O)C1	ZINC000996397282	663486194	/nfs/dbraw/zinc/48/61/94/663486194.db2.gz	OQLHRYCAMRYWMB-UHFFFAOYSA-N	-1	1	311.254	-2.678	20	0		DAADMM
C[C@@H](C(=O)N1CCO[C@@H](c2nn[n-]n2)C1)N1C(=O)CCC1=O	ZINC000735526378	663497633	/nfs/dbraw/zinc/49/76/33/663497633.db2.gz	WBYUXWDVCMQFAB-JGVFFNPUSA-N	-1	1	308.298	-1.363	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CNC(=O)N2)nc1=O	ZINC001032595308	663535460	/nfs/dbraw/zinc/53/54/60/663535460.db2.gz	LSDOVGWHAPXCOF-XHNCKOQMSA-N	-1	1	321.341	-2.425	20	0		DAADMM
NC(=O)C(=O)NC1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC000998705346	663549961	/nfs/dbraw/zinc/54/99/61/663549961.db2.gz	SNAZNZDDEDDEBT-UHFFFAOYSA-N	-1	1	309.282	-3.261	20	0		DAADMM
CN1CCOC[C@@H]1C(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000998967223	663553746	/nfs/dbraw/zinc/55/37/46/663553746.db2.gz	YMYKUMBAPINBIZ-WDEREUQCSA-N	-1	1	324.385	-1.079	20	0		DAADMM
O=C(CN1CN=NC1=O)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000998976298	663553777	/nfs/dbraw/zinc/55/37/77/663553777.db2.gz	RAFSNDODVBKLAE-MRVPVSSYSA-N	-1	1	322.329	-1.412	20	0		DAADMM
O=C([C@@H]1COC(=O)N1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000999055233	663554561	/nfs/dbraw/zinc/55/45/61/663554561.db2.gz	ATOSAZPQELAVBE-YUMQZZPRSA-N	-1	1	310.314	-1.301	20	0		DAADMM
O=C([C@@H]1COC(=O)N1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000999055232	663554823	/nfs/dbraw/zinc/55/48/23/663554823.db2.gz	ATOSAZPQELAVBE-SFYZADRCSA-N	-1	1	310.314	-1.301	20	0		DAADMM
NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001032730538	663577094	/nfs/dbraw/zinc/57/70/94/663577094.db2.gz	IOPIBKOQTHZYBH-YUMQZZPRSA-N	-1	1	317.309	-2.198	20	0		DAADMM
O=C(Cn1ncnn1)N1CC(CNC(=O)c2ncccc2[O-])C1	ZINC001001542136	663603271	/nfs/dbraw/zinc/60/32/71/663603271.db2.gz	REZXZRQLQTZSEA-UHFFFAOYSA-N	-1	1	317.309	-1.338	20	0		DAADMM
CNC(=O)CN1CCC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001001589753	663603743	/nfs/dbraw/zinc/60/37/43/663603743.db2.gz	XDYJPCUDNWXMSL-UHFFFAOYSA-N	-1	1	324.341	-1.529	20	0		DAADMM
NC(=O)C(=O)N1CC(CNC(=O)c2cnc(C3CC3)[n-]c2=O)C1	ZINC001001953140	663611770	/nfs/dbraw/zinc/61/17/70/663611770.db2.gz	ZYWMDMHLHQCLRA-UHFFFAOYSA-N	-1	1	319.321	-1.267	20	0		DAADMM
O=C(NC1CCN([C@H]2CCNC2=O)CC1)c1n[nH]c(=O)[n-]c1=O	ZINC001003250880	663627015	/nfs/dbraw/zinc/62/70/15/663627015.db2.gz	LOWIGXNOJQTCEH-QMMMGPOBSA-N	-1	1	322.325	-1.635	20	0		DAADMM
CN(C(=O)Cn1cnnn1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001032896449	663640728	/nfs/dbraw/zinc/64/07/28/663640728.db2.gz	HSVQNFLDFSWOIA-VIFPVBQESA-N	-1	1	321.345	-2.172	20	0		DAADMM
CN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033044308	663646372	/nfs/dbraw/zinc/64/63/72/663646372.db2.gz	DNRFDEQCLJGTRF-RKDXNWHRSA-N	-1	1	324.341	-1.751	20	0		DAADMM
CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033044307	663646552	/nfs/dbraw/zinc/64/65/52/663646552.db2.gz	DNRFDEQCLJGTRF-IUCAKERBSA-N	-1	1	324.341	-1.751	20	0		DAADMM
CN(C(=O)c1cnnn1C)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033056395	663647281	/nfs/dbraw/zinc/64/72/81/663647281.db2.gz	DYVOUFMMUHAVDD-SECBINFHSA-N	-1	1	320.357	-1.417	20	0		DAADMM
CN(C(=O)Cn1ncnn1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033079082	663647942	/nfs/dbraw/zinc/64/79/42/663647942.db2.gz	TYQPZVJLRSLICS-VIFPVBQESA-N	-1	1	321.345	-2.172	20	0		DAADMM
CN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033321114	663657993	/nfs/dbraw/zinc/65/79/93/663657993.db2.gz	IVJRQMATJVYBLF-NXEZZACHSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN1C(=O)CN(CC(=O)NC2(c3nn[n-]n3)CCCC2)C1=O	ZINC000625709719	663658753	/nfs/dbraw/zinc/65/87/53/663658753.db2.gz	XBHKCHRFAYIBLH-UHFFFAOYSA-N	-1	1	307.314	-1.021	20	0		DAADMM
CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033381723	663659946	/nfs/dbraw/zinc/65/99/46/663659946.db2.gz	YMPPCRVFSIYFGV-BDAKNGLRSA-N	-1	1	323.357	-2.178	20	0		DAADMM
CN(C(=O)Cc1nnc[nH]1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033567168	663662893	/nfs/dbraw/zinc/66/28/93/663662893.db2.gz	WMQCPHCZZTWJQX-SECBINFHSA-N	-1	1	320.357	-1.498	20	0		DAADMM
CN(C(=O)Cn1cncn1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033640111	663665274	/nfs/dbraw/zinc/66/52/74/663665274.db2.gz	MCXSKHMTJKAARL-JTQLQIEISA-N	-1	1	320.357	-1.567	20	0		DAADMM
CC(=O)N[C@H](C)C1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001005554692	663672016	/nfs/dbraw/zinc/67/20/16/663672016.db2.gz	LLPPAMSEGFREHR-SECBINFHSA-N	-1	1	308.338	-1.090	20	0		DAADMM
CN(C(=O)c1cn[nH]n1)C1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001005652780	663673366	/nfs/dbraw/zinc/67/33/66/663673366.db2.gz	NBXHKCPGZLZWBL-UHFFFAOYSA-N	-1	1	320.357	-1.037	20	0		DAADMM
CN1C[C@@H](C(=O)N2CCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)NC1=O	ZINC001035013777	663676639	/nfs/dbraw/zinc/67/66/39/663676639.db2.gz	HFEYGPNTNVJIHF-BDAKNGLRSA-N	-1	1	323.357	-1.386	20	0		DAADMM
CNC(=O)CN1CCO[C@@H](CNC(=O)c2ncccc2[O-])C1	ZINC001035344286	663679690	/nfs/dbraw/zinc/67/96/90/663679690.db2.gz	PFUGHTPDWBOSCQ-JTQLQIEISA-N	-1	1	308.338	-1.036	20	0		DAADMM
O=C(NC[C@@H]1CN(CCO)CCO1)c1cc(=O)n2[n-]cnc2n1	ZINC001035577251	663687877	/nfs/dbraw/zinc/68/78/77/663687877.db2.gz	PGBPQIXEQRNZLI-SECBINFHSA-N	-1	1	322.325	-2.160	20	0		DAADMM
CN(C(=O)c1nc[nH]n1)C1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001006160493	663698526	/nfs/dbraw/zinc/69/85/26/663698526.db2.gz	RXKIEJRLXVWJDB-UHFFFAOYSA-N	-1	1	320.357	-1.037	20	0		DAADMM
CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H]1CN2CCN1CC2	ZINC000866994954	663793338	/nfs/dbraw/zinc/79/33/38/663793338.db2.gz	VQGSPTJSLHSQMP-YPMLDQLKSA-N	-1	1	310.445	-1.062	20	0		DAADMM
CS(=O)(=O)N1CCCC[C@@H]1C(=O)NN1CC(=O)[N-]C1=O	ZINC000743287234	663796451	/nfs/dbraw/zinc/79/64/51/663796451.db2.gz	LOPDLLAFOSOHMZ-SSDOTTSWSA-N	-1	1	304.328	-1.617	20	0		DAADMM
CCOCCO[N-]C(=O)C(=O)N[C@H]1CCN(CCOC)C1	ZINC000804897070	663797478	/nfs/dbraw/zinc/79/74/78/663797478.db2.gz	DJMLSQXVXYWETE-NSHDSACASA-N	-1	1	303.359	-1.092	20	0		DAADMM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(=O)O1	ZINC000748861607	663801257	/nfs/dbraw/zinc/80/12/57/663801257.db2.gz	CIGYVNWLULXFSZ-RNFRBKRXSA-N	-1	1	317.323	-1.934	20	0		DAADMM
Cn1cc(S(=O)(=O)[N-][C@H](CO)C2CC2)c(=O)n(C)c1=O	ZINC000751424141	663802661	/nfs/dbraw/zinc/80/26/61/663802661.db2.gz	RTSKFVLBJZPUGF-MRVPVSSYSA-N	-1	1	303.340	-1.867	20	0		DAADMM
COC[C@@](C)(NC(=O)CCn1cc[n-]c(=O)c1=O)C(=O)OC	ZINC000757007211	663805912	/nfs/dbraw/zinc/80/59/12/663805912.db2.gz	AQZDQRVBZAUZHS-CYBMUJFWSA-N	-1	1	313.310	-1.379	20	0		DAADMM
O=C(CCN1C(=O)NC2(CCCC2)C1=O)NN1CC(=O)[N-]C1=O	ZINC000757939332	663807447	/nfs/dbraw/zinc/80/74/47/663807447.db2.gz	ZRMKUHJTDORIHH-UHFFFAOYSA-N	-1	1	323.309	-1.176	20	0		DAADMM
CCNC(=O)N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC000760924892	663810032	/nfs/dbraw/zinc/81/00/32/663810032.db2.gz	OXEATGFVGIHULB-JTQLQIEISA-N	-1	1	323.353	-1.153	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCN2C(=O)OCC[C@@H]2C1	ZINC000764261704	663811768	/nfs/dbraw/zinc/81/17/68/663811768.db2.gz	DMXFWBIGCRMRNC-SNVBAGLBSA-N	-1	1	322.321	-1.020	20	0		DAADMM
CC[C@@]1(C)NC(=O)N(CC(=O)OCc2nc(=O)n(C)[n-]2)C1=O	ZINC000765394447	663812433	/nfs/dbraw/zinc/81/24/33/663812433.db2.gz	SENIIUKDSYMHRT-GFCCVEGCSA-N	-1	1	311.298	-1.128	20	0		DAADMM
CCCCS(=O)(=O)NCC(=O)OCc1nc(=O)n(C)[n-]1	ZINC000765496857	663812927	/nfs/dbraw/zinc/81/29/27/663812927.db2.gz	MDKVFASGMXVICN-UHFFFAOYSA-N	-1	1	306.344	-1.129	20	0		DAADMM
CC[C@@]1(C)NC(=O)N(NC(=O)CCn2cc[n-]c(=O)c2=O)C1=O	ZINC000769817335	663816157	/nfs/dbraw/zinc/81/61/57/663816157.db2.gz	UMSZWLCCJCKZPC-CYBMUJFWSA-N	-1	1	323.309	-1.322	20	0		DAADMM
C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)[C@@H]1CN(C)CCO1	ZINC000770335264	663816899	/nfs/dbraw/zinc/81/68/99/663816899.db2.gz	LGPYZZAIRONZPJ-QWRGUYRKSA-N	-1	1	310.354	-1.238	20	0		DAADMM
CN(CC(=O)N1CCSC[C@H]1c1nn[n-]n1)S(C)(=O)=O	ZINC000773147605	663819385	/nfs/dbraw/zinc/81/93/85/663819385.db2.gz	CJXSCGRBAGRUGI-ZETCQYMHSA-N	-1	1	320.400	-1.292	20	0		DAADMM
CCS(=O)(=O)NCC(=O)N1CCSC[C@H]1c1nn[n-]n1	ZINC000776563339	663821962	/nfs/dbraw/zinc/82/19/62/663821962.db2.gz	IKPQLJUMXDKGJC-ZETCQYMHSA-N	-1	1	320.400	-1.245	20	0		DAADMM
CCS(=O)(=O)NCC(=O)N1CCSC[C@@H]1c1nn[n-]n1	ZINC000776563331	663822333	/nfs/dbraw/zinc/82/23/33/663822333.db2.gz	IKPQLJUMXDKGJC-SSDOTTSWSA-N	-1	1	320.400	-1.245	20	0		DAADMM
Cn1c2[nH]c(COC(=O)c3cn[n-]n3)nc2c(=O)n(C)c1=O	ZINC000805608729	663822885	/nfs/dbraw/zinc/82/28/85/663822885.db2.gz	INVCRQGMMPJUSL-UHFFFAOYSA-N	-1	1	305.254	-1.565	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CC(NC(=O)C2CC2)C1	ZINC000779168891	663824160	/nfs/dbraw/zinc/82/41/60/663824160.db2.gz	UZRDWHBHSCRJEE-UHFFFAOYSA-N	-1	1	306.322	-1.336	20	0		DAADMM
CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NN1CC(=O)[N-]C1=O	ZINC000783568714	663827059	/nfs/dbraw/zinc/82/70/59/663827059.db2.gz	DBCGAIMTEBTMGA-SSDOTTSWSA-N	-1	1	306.344	-1.467	20	0		DAADMM
C[C@@H](CO)COC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000786202303	663829570	/nfs/dbraw/zinc/82/95/70/663829570.db2.gz	KZRQOWNSFRAWTJ-ZETCQYMHSA-N	-1	1	320.323	-1.172	20	0		DAADMM
COCCO[N-]C(=O)C(=O)NCCCCN1CCOCC1	ZINC000787901131	663830967	/nfs/dbraw/zinc/83/09/67/663830967.db2.gz	AIBYYORHKZZPQQ-UHFFFAOYSA-N	-1	1	303.359	-1.091	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CC(=O)N(CC2CC2)C1	ZINC000790271797	663832850	/nfs/dbraw/zinc/83/28/50/663832850.db2.gz	MQYYFXPPJGXRET-UHFFFAOYSA-N	-1	1	306.322	-1.035	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)Cn3ccc(=O)n(C)c3=O)ccnc1-2	ZINC000791168007	663833434	/nfs/dbraw/zinc/83/34/34/663833434.db2.gz	SWRUZURPSPHMSO-UHFFFAOYSA-N	-1	1	314.305	-1.159	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)C(=O)N3CCNC(=O)C3)ccnc1-2	ZINC000806842137	663845750	/nfs/dbraw/zinc/84/57/50/663845750.db2.gz	FNOBXPIPFZZOSL-UHFFFAOYSA-N	-1	1	302.294	-1.761	20	0		DAADMM
CCN1CN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC1=O	ZINC000807035255	663846026	/nfs/dbraw/zinc/84/60/26/663846026.db2.gz	MGZQVOACFYETAM-UHFFFAOYSA-N	-1	1	316.321	-1.072	20	0		DAADMM
COCCN(CCO)C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC000807006370	663846279	/nfs/dbraw/zinc/84/62/79/663846279.db2.gz	XMMJOUYHNFKGFH-UHFFFAOYSA-N	-1	1	321.337	-1.252	20	0		DAADMM
CCNS(=O)(=O)CC[N-]S(=O)(=O)c1c(C)onc1N	ZINC000809816748	663848248	/nfs/dbraw/zinc/84/82/48/663848248.db2.gz	OFCGELDKYYCYDR-UHFFFAOYSA-N	-1	1	312.373	-1.217	20	0		DAADMM
CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](O)C(=O)NC)o1	ZINC000809838461	663848822	/nfs/dbraw/zinc/84/88/22/663848822.db2.gz	YUNZDVYFGWTDLW-ZETCQYMHSA-N	-1	1	320.323	-1.159	20	0		DAADMM
Cn1[n-]c(COC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)nc1=O	ZINC000815270029	663852077	/nfs/dbraw/zinc/85/20/77/663852077.db2.gz	ZZADNMFAWMWYBL-SSDOTTSWSA-N	-1	1	319.343	-1.933	20	0		DAADMM
CC(C)COC(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O	ZINC000824266224	663863129	/nfs/dbraw/zinc/86/31/29/663863129.db2.gz	HCJBBCNCZKVYQD-UHFFFAOYSA-N	-1	1	308.298	-1.074	20	0		DAADMM
CCOC(=O)[C@@H](CO)NC(=O)Cc1noc(C)c1-c1nnn[n-]1	ZINC000825493451	663864729	/nfs/dbraw/zinc/86/47/29/663864729.db2.gz	LTNZOMRVWMIWQJ-MRVPVSSYSA-N	-1	1	324.297	-1.254	20	0		DAADMM
CCOC(=O)[C@@H](CO)NC(=O)Cc1noc(C)c1-c1nn[n-]n1	ZINC000825493451	663864732	/nfs/dbraw/zinc/86/47/32/663864732.db2.gz	LTNZOMRVWMIWQJ-MRVPVSSYSA-N	-1	1	324.297	-1.254	20	0		DAADMM
CS[C@@H](CO)[C@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000826225821	663866178	/nfs/dbraw/zinc/86/61/78/663866178.db2.gz	LTBFYENHGQROSZ-BQBZGAKWSA-N	-1	1	312.359	-1.313	20	0		DAADMM
Cc1onc(CC(=O)N2C[C@H](O)C[C@H](O)C2)c1-c1nnn[n-]1	ZINC000826345052	663866215	/nfs/dbraw/zinc/86/62/15/663866215.db2.gz	AIFNYWYKDTWGEZ-OCAPTIKFSA-N	-1	1	308.298	-1.340	20	0		DAADMM
Cc1onc(CC(=O)N2C[C@H](O)C[C@H](O)C2)c1-c1nn[n-]n1	ZINC000826345052	663866217	/nfs/dbraw/zinc/86/62/17/663866217.db2.gz	AIFNYWYKDTWGEZ-OCAPTIKFSA-N	-1	1	308.298	-1.340	20	0		DAADMM
Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CNC(=O)C2)n(C)c1=O	ZINC000826355944	663866484	/nfs/dbraw/zinc/86/64/84/663866484.db2.gz	UNLCOIXXNLFVAO-YFKPBYRVSA-N	-1	1	306.286	-2.436	20	0		DAADMM
O=C(CN1CCN(C2CC2)C1=O)N1CCO[C@H](c2nn[n-]n2)C1	ZINC000826834044	663867373	/nfs/dbraw/zinc/86/73/73/663867373.db2.gz	LOOWZXTWMQBGIZ-JTQLQIEISA-N	-1	1	321.341	-1.000	20	0		DAADMM
Cn1cnc(S(=O)(=O)[N-][C@@]2(C(N)=O)CCOC2)c1Cl	ZINC000848502892	663892205	/nfs/dbraw/zinc/89/22/05/663892205.db2.gz	YQWRVNBGZRTNJV-VIFPVBQESA-N	-1	1	308.747	-1.004	20	0		DAADMM
CON(C)CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000849406560	663893609	/nfs/dbraw/zinc/89/36/09/663893609.db2.gz	KPYUMZLEUDJQCC-UHFFFAOYSA-N	-1	1	306.344	-2.145	20	0		DAADMM
COC[C@@H]([N-]S(=O)(=O)C[C@@]1(OC(C)C)CCOC1)C(N)=O	ZINC000851775178	663897039	/nfs/dbraw/zinc/89/70/39/663897039.db2.gz	OERIMVQPTMSMIQ-ZYHUDNBSSA-N	-1	1	324.399	-1.010	20	0		DAADMM
Cn1cc(N2C[C@H](C(=O)NN3CC(=O)[N-]C3=O)CC2=O)cn1	ZINC000858544034	663909702	/nfs/dbraw/zinc/90/97/02/663909702.db2.gz	XZIGHQLXKOLKRE-SSDOTTSWSA-N	-1	1	306.282	-1.644	20	0		DAADMM
COCOCCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000859382081	663912735	/nfs/dbraw/zinc/91/27/35/663912735.db2.gz	AGFQUZNICCFYDX-UHFFFAOYSA-N	-1	1	321.355	-1.627	20	0		DAADMM
O=C(/C=C\CN1CCOCC1)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC000865596199	663930805	/nfs/dbraw/zinc/93/08/05/663930805.db2.gz	VKGCQLKKIJGNEN-RFMOXSJOSA-N	-1	1	308.342	-1.012	20	0		DAADMM
O=C(N1CCO[C@@H](c2nn[n-]n2)C1)C1(N2CCOCC2)CC1	ZINC000865595423	663930821	/nfs/dbraw/zinc/93/08/21/663930821.db2.gz	JSYLUQVHMVRKMA-SNVBAGLBSA-N	-1	1	308.342	-1.036	20	0		DAADMM
CCN(C)C(=O)C[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C	ZINC000882086459	663958568	/nfs/dbraw/zinc/95/85/68/663958568.db2.gz	XAVNDXKHCLCZEL-KRWDZBQOSA-N	-1	1	300.406	-1.127	20	0		DAADMM
CN1C[C@H](C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)CC1=O	ZINC000948614943	664019668	/nfs/dbraw/zinc/01/96/68/664019668.db2.gz	OQSQDHSLVDOTNF-SNVBAGLBSA-N	-1	1	322.369	-1.769	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@@H]3CC[C@H]3C(N)=O)CC2)nc1=O	ZINC000949627552	664039773	/nfs/dbraw/zinc/03/97/73/664039773.db2.gz	IMZNOAOUTOOTTC-NXEZZACHSA-N	-1	1	322.369	-1.736	20	0		DAADMM
CN1CC[C@@H](C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)C1=O	ZINC000949749185	664044502	/nfs/dbraw/zinc/04/45/02/664044502.db2.gz	LYPMMZFVZKDGBT-SNVBAGLBSA-N	-1	1	322.369	-1.769	20	0		DAADMM
CCN(C(=O)[C@H]1CCC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000949787323	664046268	/nfs/dbraw/zinc/04/62/68/664046268.db2.gz	GVZLDUILONCUHT-SNVBAGLBSA-N	-1	1	322.369	-1.580	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)nc1=O	ZINC000949953538	664049689	/nfs/dbraw/zinc/04/96/89/664049689.db2.gz	NQFIESZOONLRIW-MRVPVSSYSA-N	-1	1	309.330	-2.566	20	0		DAADMM
NC(=O)C(=O)N1CC[C@@H]1CNC(=O)c1cnc(C2CC2)[n-]c1=O	ZINC000950038749	664049916	/nfs/dbraw/zinc/04/99/16/664049916.db2.gz	ZVODMAVLSKDOSZ-MRVPVSSYSA-N	-1	1	319.321	-1.124	20	0		DAADMM
Cn1cc(C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)[nH]c1=O	ZINC000950023067	664050374	/nfs/dbraw/zinc/05/03/74/664050374.db2.gz	LYCDVHDLXKOQMZ-UHFFFAOYSA-N	-1	1	321.341	-1.495	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)[C@]3(C)CCC(=O)N3)CC2)nc1=O	ZINC000950332613	664054937	/nfs/dbraw/zinc/05/49/37/664054937.db2.gz	PPJGGHNUBYIWRC-AWEZNQCLSA-N	-1	1	322.369	-1.579	20	0		DAADMM
Cc1ccnn1CC(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC000950971140	664066726	/nfs/dbraw/zinc/06/67/26/664066726.db2.gz	QCMGKQCHTLWGRK-UHFFFAOYSA-N	-1	1	319.369	-1.042	20	0		DAADMM
CCN(C(=O)[C@@H]1CCNC1=O)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000951126536	664070982	/nfs/dbraw/zinc/07/09/82/664070982.db2.gz	ROFPZJCLXRWFLP-SNVBAGLBSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CCN(C(=O)c1nnn(C)n1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000951183934	664072119	/nfs/dbraw/zinc/07/21/19/664072119.db2.gz	YALKWTNZQIBXGQ-UHFFFAOYSA-N	-1	1	321.345	-2.022	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)c3ncccn3)CC2)nc1=O	ZINC000952370835	664110400	/nfs/dbraw/zinc/11/04/00/664110400.db2.gz	OLLOTAVLXCGUKI-UHFFFAOYSA-N	-1	1	303.326	-1.144	20	0		DAADMM
CN(C(=O)c1ncccc1[O-])C1CN(C(=O)[C@H]2CNC(=O)N2)C1	ZINC000954125458	664135365	/nfs/dbraw/zinc/13/53/65/664135365.db2.gz	PCMRAOFIONMWKK-SECBINFHSA-N	-1	1	319.321	-1.249	20	0		DAADMM
CN(C(=O)c1ncccc1[O-])C1CN(C(=O)c2nnn(C)n2)C1	ZINC000954127705	664135520	/nfs/dbraw/zinc/13/55/20/664135520.db2.gz	DEQQIQGWEOFVDQ-UHFFFAOYSA-N	-1	1	317.309	-1.093	20	0		DAADMM
CN(C(=O)[C@H]1CNC(=O)N1)C1CN(C(=O)c2ncccc2[O-])C1	ZINC000955152204	664174249	/nfs/dbraw/zinc/17/42/49/664174249.db2.gz	TYJMZQKMQLJYAO-SECBINFHSA-N	-1	1	319.321	-1.249	20	0		DAADMM
CN(C(=O)C(N)=O)C1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1	ZINC000955161336	664177998	/nfs/dbraw/zinc/17/79/98/664177998.db2.gz	HJLMQEIYRGVGRG-UHFFFAOYSA-N	-1	1	319.321	-1.172	20	0		DAADMM
CCN(C(=O)c1cc(=O)n2[n-]cnc2n1)C1CN(C[C@H](C)O)C1	ZINC000957134463	664205506	/nfs/dbraw/zinc/20/55/06/664205506.db2.gz	OSGIHANWDYJULR-VIFPVBQESA-N	-1	1	320.353	-1.055	20	0		DAADMM
C[C@H](C(N)=O)N1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC1	ZINC000957314799	664209483	/nfs/dbraw/zinc/20/94/83/664209483.db2.gz	OZUUCOFNGQUYAO-MRVPVSSYSA-N	-1	1	319.325	-1.951	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)Cn3cncn3)CC2)nc1=O	ZINC000957572620	664214609	/nfs/dbraw/zinc/21/46/09/664214609.db2.gz	RXBHMNHMZPRBLT-UHFFFAOYSA-N	-1	1	306.330	-1.956	20	0		DAADMM
Cn1[n-]c(CN2C[C@H](O)[C@H](CNC(=O)C3CCC3)C2)nc1=O	ZINC000957797123	664218986	/nfs/dbraw/zinc/21/89/86/664218986.db2.gz	CEVRJULMAHKFSP-MNOVXSKESA-N	-1	1	309.370	-1.183	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](CNC(=O)c3ccco3)[C@H](O)C2)nc1=O	ZINC000957829933	664219505	/nfs/dbraw/zinc/21/95/05/664219505.db2.gz	DNEMOTFAJYASQT-NXEZZACHSA-N	-1	1	321.337	-1.076	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@@H](CNC(=O)c3ccoc3)C2)nc1=O	ZINC000957872232	664221275	/nfs/dbraw/zinc/22/12/75/664221275.db2.gz	ASILDFAPVSGMDZ-WDEREUQCSA-N	-1	1	321.337	-1.076	20	0		DAADMM
Cn1[n-]c(CN2C[C@H](O)[C@H](CNC(=O)c3ccc[nH]3)C2)nc1=O	ZINC000957868686	664221557	/nfs/dbraw/zinc/22/15/57/664221557.db2.gz	DKTHVPVZCCRDAS-KOLCDFICSA-N	-1	1	320.353	-1.341	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@@H](CNC(=O)c3ccc[nH]3)C2)nc1=O	ZINC000957868685	664221749	/nfs/dbraw/zinc/22/17/49/664221749.db2.gz	DKTHVPVZCCRDAS-GXSJLCMTSA-N	-1	1	320.353	-1.341	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@@H](CNC(=O)c3cocn3)C2)nc1=O	ZINC000957926014	664226422	/nfs/dbraw/zinc/22/64/22/664226422.db2.gz	JVHSQWNPPZSHKM-WCBMZHEXSA-N	-1	1	322.325	-1.681	20	0		DAADMM
CN(C)C(=O)CN1C[C@H](O)[C@H](CNC(=O)c2ncccc2[O-])C1	ZINC000957997514	664229241	/nfs/dbraw/zinc/22/92/41/664229241.db2.gz	ZFXFXQNQEHPRCH-PWSUYJOCSA-N	-1	1	322.365	-1.102	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](CNC(=O)c3cnco3)[C@H](O)C2)nc1=O	ZINC000958288768	664252756	/nfs/dbraw/zinc/25/27/56/664252756.db2.gz	PUXNQBPCCKNLFA-RKDXNWHRSA-N	-1	1	322.325	-1.681	20	0		DAADMM
O=C(NC[C@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ncn[n-]1	ZINC000958503806	664274496	/nfs/dbraw/zinc/27/44/96/664274496.db2.gz	SWASPIOGRSAFAL-NKWVEPMBSA-N	-1	1	308.302	-2.149	20	0		DAADMM
O=C(NC[C@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ncn[n-]1	ZINC000958503805	664274668	/nfs/dbraw/zinc/27/46/68/664274668.db2.gz	SWASPIOGRSAFAL-BQBZGAKWSA-N	-1	1	308.302	-2.149	20	0		DAADMM
Cn1nnc(C(=O)N2CCCC[C@H]2CNCc2n[nH]c(=O)[n-]2)n1	ZINC000960095062	664315157	/nfs/dbraw/zinc/31/51/57/664315157.db2.gz	RPHAUCYWQHKQKN-QMMMGPOBSA-N	-1	1	321.345	-1.182	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2nccn2)nc1=O	ZINC000960105522	664315327	/nfs/dbraw/zinc/31/53/27/664315327.db2.gz	MXACYSJDKHWODS-GDGBQDQQSA-N	-1	1	318.341	-2.054	20	0		DAADMM
O=C([C@@H]1CNC(=O)N1)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC000960115133	664315689	/nfs/dbraw/zinc/31/56/89/664315689.db2.gz	NRJMXLRLFVXGTC-IUCAKERBSA-N	-1	1	323.357	-1.338	20	0		DAADMM
C[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000960807946	664324680	/nfs/dbraw/zinc/32/46/80/664324680.db2.gz	IZFIHYHHPLTQOK-JWXFUTCRSA-N	-1	1	308.298	-2.183	20	0		DAADMM
CC[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000960809666	664324973	/nfs/dbraw/zinc/32/49/73/664324973.db2.gz	OBDKFZRIIRSHOO-FKSUSPILSA-N	-1	1	322.325	-1.793	20	0		DAADMM
O=C(NC1CC(CNCc2cnon2)C1)c1n[nH]c(=O)[n-]c1=O	ZINC000962039722	664366091	/nfs/dbraw/zinc/36/60/91/664366091.db2.gz	NMLAABZDHBUCGK-UHFFFAOYSA-N	-1	1	321.297	-1.036	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ncccn2)nc1=O	ZINC000962123229	664368601	/nfs/dbraw/zinc/36/86/01/664368601.db2.gz	WKZPTVYNOTUICP-JZYVYDRUSA-N	-1	1	315.337	-1.241	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cncn2)nc1=O	ZINC000962483110	664377574	/nfs/dbraw/zinc/37/75/74/664377574.db2.gz	CAXTUEDYPBGBJF-GDGBQDQQSA-N	-1	1	318.341	-2.054	20	0		DAADMM
Cn1ccc(C(=O)N[C@@H]2[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]32)n1	ZINC000962567563	664379040	/nfs/dbraw/zinc/37/90/40/664379040.db2.gz	LMUWKYIBMZQMOX-GDGBQDQQSA-N	-1	1	317.353	-1.298	20	0		DAADMM
NC(=O)C(=O)N1CC2(C1)C[C@H](NC(=O)c1ncccc1[O-])CO2	ZINC000965681718	664428445	/nfs/dbraw/zinc/42/84/45/664428445.db2.gz	KJMKIZJMWSCHSG-QMMMGPOBSA-N	-1	1	320.305	-1.628	20	0		DAADMM
CC(=O)N[C@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@@H]1C	ZINC000966593720	664447176	/nfs/dbraw/zinc/44/71/76/664447176.db2.gz	PMZUSNIYXJVQHM-ONGXEEELSA-N	-1	1	308.338	-1.090	20	0		DAADMM
Cc1c(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)nnn1C	ZINC000968239274	664472437	/nfs/dbraw/zinc/47/24/37/664472437.db2.gz	RYXMDLVJVKBVCH-MRVPVSSYSA-N	-1	1	306.330	-1.048	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H]2CNC(=O)c2cnccn2)nc1=O	ZINC001038025423	664473560	/nfs/dbraw/zinc/47/35/60/664473560.db2.gz	SWTMPFUDFLRWON-VIFPVBQESA-N	-1	1	303.326	-1.097	20	0		DAADMM
O=C(CN1CCOCC1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000968446098	664477749	/nfs/dbraw/zinc/47/77/49/664477749.db2.gz	NZZWIFRUFFLMCW-SNVBAGLBSA-N	-1	1	310.358	-1.467	20	0		DAADMM
CC(=O)N1CC(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)C1	ZINC000968514343	664479710	/nfs/dbraw/zinc/47/97/10/664479710.db2.gz	OMFANFLSXXVXAH-SNVBAGLBSA-N	-1	1	308.342	-1.321	20	0		DAADMM
Cc1nnc(CC(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)[nH]1	ZINC000968632788	664481265	/nfs/dbraw/zinc/48/12/65/664481265.db2.gz	HKMAOKWGMAWLGN-MRVPVSSYSA-N	-1	1	306.330	-1.130	20	0		DAADMM
O=C(N[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@@H]1O)c1cnn[nH]1	ZINC000968694291	664482440	/nfs/dbraw/zinc/48/24/40/664482440.db2.gz	FOODITMHQRDROC-GDPRMGEGSA-N	-1	1	309.326	-1.467	20	0		DAADMM
CN1C[C@H](C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)CC1=O	ZINC000968844868	664487042	/nfs/dbraw/zinc/48/70/42/664487042.db2.gz	IXFFUVDOAXOCSR-RKDXNWHRSA-N	-1	1	308.342	-1.321	20	0		DAADMM
O=C([C@@H]1CCCNC1=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000968994507	664489374	/nfs/dbraw/zinc/48/93/74/664489374.db2.gz	MQNNGVJHARQZAR-RKDXNWHRSA-N	-1	1	308.342	-1.273	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H](NC(=O)Cn3cnnn3)C2)nc1=O	ZINC001006685311	664491666	/nfs/dbraw/zinc/49/16/66/664491666.db2.gz	PPYWCLDDOLIAGP-SECBINFHSA-N	-1	1	321.345	-2.124	20	0		DAADMM
Cn1cnc(C(=O)N[C@H]2CCCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001007271254	664494245	/nfs/dbraw/zinc/49/42/45/664494245.db2.gz	FVXYIGFVTHCNLE-VIFPVBQESA-N	-1	1	320.357	-1.369	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H](NC(=O)Cn3nccn3)C2)nc1=O	ZINC001007422092	664494942	/nfs/dbraw/zinc/49/49/42/664494942.db2.gz	BMJHJLAYCDJNLI-JTQLQIEISA-N	-1	1	320.357	-1.519	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)nc1=O	ZINC001008173631	664499048	/nfs/dbraw/zinc/49/90/48/664499048.db2.gz	AYPGSLKRAWWWPD-VHSXEESVSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1nnc(C(=O)N[C@@H]2CCCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001008212280	664500005	/nfs/dbraw/zinc/50/00/05/664500005.db2.gz	HPWRLRGCFNWZDD-MRVPVSSYSA-N	-1	1	321.345	-1.974	20	0		DAADMM
Cn1nnc(C(=O)N[C@H]2CCCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001008212282	664500272	/nfs/dbraw/zinc/50/02/72/664500272.db2.gz	HPWRLRGCFNWZDD-QMMMGPOBSA-N	-1	1	321.345	-1.974	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)nc1=O	ZINC001009264759	664506649	/nfs/dbraw/zinc/50/66/49/664506649.db2.gz	RUFUZGNYPAZFPG-UWVGGRQHSA-N	-1	1	322.369	-1.532	20	0		DAADMM
Cn1[n-]c(CN2CCC[C@@H](NC(=O)Cn3cncn3)C2)nc1=O	ZINC001009434391	664507738	/nfs/dbraw/zinc/50/77/38/664507738.db2.gz	LOARKJHIOVWIIV-SNVBAGLBSA-N	-1	1	320.357	-1.519	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)nc1=O	ZINC001010025636	664512108	/nfs/dbraw/zinc/51/21/08/664512108.db2.gz	CXSCNFDPQGNQEG-NSHDSACASA-N	-1	1	318.337	-1.254	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)Cn3cccn3)C2)nc1=O	ZINC001010183798	664513082	/nfs/dbraw/zinc/51/30/82/664513082.db2.gz	FRAZMGMAFFVMCV-JTQLQIEISA-N	-1	1	305.342	-1.304	20	0		DAADMM
Cn1cc(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)cn1	ZINC001010114828	664513170	/nfs/dbraw/zinc/51/31/70/664513170.db2.gz	GUSLKZRAHBDUME-SNVBAGLBSA-N	-1	1	305.342	-1.154	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)Cn3cccn3)C2)nc1=O	ZINC001010183799	664513286	/nfs/dbraw/zinc/51/32/86/664513286.db2.gz	FRAZMGMAFFVMCV-SNVBAGLBSA-N	-1	1	305.342	-1.304	20	0		DAADMM
Cn1nccc1C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001010357910	664514782	/nfs/dbraw/zinc/51/47/82/664514782.db2.gz	MVMYKDGOGFPEMG-VIFPVBQESA-N	-1	1	305.342	-1.154	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)C[C@H]3COC(=O)C3)C2)nc1=O	ZINC001010570347	664516676	/nfs/dbraw/zinc/51/66/76/664516676.db2.gz	LBUPMCKYPMASPB-ZJUUUORDSA-N	-1	1	323.353	-1.248	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)nc1=O	ZINC001010668934	664516962	/nfs/dbraw/zinc/51/69/62/664516962.db2.gz	LUVSPZXOMFYEJN-MRVPVSSYSA-N	-1	1	322.329	-2.204	20	0		DAADMM
C[C@H](C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1)n1cncn1	ZINC001010684419	664517637	/nfs/dbraw/zinc/51/76/37/664517637.db2.gz	SWYCRFXJCAQPDA-ZJUUUORDSA-N	-1	1	320.357	-1.348	20	0		DAADMM
Cn1ncc(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)c1N	ZINC001010705820	664518923	/nfs/dbraw/zinc/51/89/23/664518923.db2.gz	HIUYDKFQIGLQBX-MRVPVSSYSA-N	-1	1	320.357	-1.572	20	0		DAADMM
CCn1nncc1C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001010852757	664520749	/nfs/dbraw/zinc/52/07/49/664520749.db2.gz	FNWJDOUFQXZNGJ-SECBINFHSA-N	-1	1	320.357	-1.276	20	0		DAADMM
Cn1cc(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001010854818	664521026	/nfs/dbraw/zinc/52/10/26/664521026.db2.gz	UELDFOXAAGXGMF-MRVPVSSYSA-N	-1	1	306.330	-1.759	20	0		DAADMM
O=C(Cn1ncnn1)N1CCN(C(=O)c2ncccc2[O-])CC1	ZINC001011035364	664523955	/nfs/dbraw/zinc/52/39/55/664523955.db2.gz	FYLCQBANSKTUAL-UHFFFAOYSA-N	-1	1	317.309	-1.242	20	0		DAADMM
Cn1ccc(CC(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001014404614	664553570	/nfs/dbraw/zinc/55/35/70/664553570.db2.gz	FZWPHJSCESXRKU-LLVKDONJSA-N	-1	1	319.369	-1.225	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@H]3CCCNC3=O)C2)nc1=O	ZINC001014813002	664558295	/nfs/dbraw/zinc/55/82/95/664558295.db2.gz	XIZTYDRHWJJMMS-UWVGGRQHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)nc1=O	ZINC001015040296	664559292	/nfs/dbraw/zinc/55/92/92/664559292.db2.gz	ARBBWSNZOSTVDS-UWVGGRQHSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3csnn3)C2)nc1=O	ZINC001015425266	664562852	/nfs/dbraw/zinc/56/28/52/664562852.db2.gz	SFTRVTDCWYPZMC-ZETCQYMHSA-N	-1	1	309.355	-1.036	20	0		DAADMM
Cc1nn[nH]c1C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001015480680	664563087	/nfs/dbraw/zinc/56/30/87/664563087.db2.gz	WWZHHJYFPOBZRF-MRVPVSSYSA-N	-1	1	306.330	-1.461	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)nc1=O	ZINC001015504332	664563605	/nfs/dbraw/zinc/56/36/05/664563605.db2.gz	ORQKGIGBFQACJY-BDAKNGLRSA-N	-1	1	308.342	-2.065	20	0		DAADMM
CN1C[C@@H](C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)NC1=O	ZINC001015514000	664564374	/nfs/dbraw/zinc/56/43/74/664564374.db2.gz	NZAUIEBPBWZCSM-IUCAKERBSA-N	-1	1	323.357	-2.178	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3C)C2)nc1=O	ZINC001015533881	664564411	/nfs/dbraw/zinc/56/44/11/664564411.db2.gz	ZSCGLUQUHCXKIM-ZJUUUORDSA-N	-1	1	322.369	-1.580	20	0		DAADMM
CN1CC[C@H](C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)C1=O	ZINC001015551428	664564822	/nfs/dbraw/zinc/56/48/22/664564822.db2.gz	VNZZZXXTAACZCV-VHSXEESVSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN1CC[C@@H](C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)C1=O	ZINC001015551429	664564938	/nfs/dbraw/zinc/56/49/38/664564938.db2.gz	VNZZZXXTAACZCV-ZJUUUORDSA-N	-1	1	322.369	-1.723	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@H]3CCC(=O)N3C)C2)nc1=O	ZINC001015602975	664565620	/nfs/dbraw/zinc/56/56/20/664565620.db2.gz	ZSCGLUQUHCXKIM-VHSXEESVSA-N	-1	1	322.369	-1.580	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@@]3(F)CCOC3)C2)nc1=O	ZINC001015607228	664565675	/nfs/dbraw/zinc/56/56/75/664565675.db2.gz	INEAWGDJKNIKFV-TVQRCGJNSA-N	-1	1	313.333	-1.073	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@@]3(F)CCOC3)C2)nc1=O	ZINC001015607226	664565813	/nfs/dbraw/zinc/56/58/13/664565813.db2.gz	INEAWGDJKNIKFV-NOZJJQNGSA-N	-1	1	313.333	-1.073	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)nc1=O	ZINC001015634545	664565982	/nfs/dbraw/zinc/56/59/82/664565982.db2.gz	MGHDCNWMBDYEQI-SFYZADRCSA-N	-1	1	309.330	-2.520	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)nc1=O	ZINC001015711552	664567166	/nfs/dbraw/zinc/56/71/66/664567166.db2.gz	KKLLAZNQESPUFP-YIZRAAEISA-N	-1	1	308.342	-2.080	20	0		DAADMM
Cn1ncc(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001015844743	664568966	/nfs/dbraw/zinc/56/89/66/664568966.db2.gz	LKGNRWVCWFUFAP-MRVPVSSYSA-N	-1	1	306.330	-1.759	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)Cc3nc[nH]n3)C2)nc1=O	ZINC001015968002	664570108	/nfs/dbraw/zinc/57/01/08/664570108.db2.gz	OVVQMPVZEUGMME-QMMMGPOBSA-N	-1	1	306.330	-1.840	20	0		DAADMM
C[C@H](O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001017704192	664582680	/nfs/dbraw/zinc/58/26/80/664582680.db2.gz	CRGDXIKSSFKTRU-XHNCKOQMSA-N	-1	1	309.326	-1.048	20	0		DAADMM
O=C(CCn1cncn1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001018517538	664587922	/nfs/dbraw/zinc/58/79/22/664587922.db2.gz	KRGUGIJSKBBLIJ-VIFPVBQESA-N	-1	1	306.330	-1.117	20	0		DAADMM
NC(=O)C(=O)N1CCC2(CN(C(=O)c3ncccc3[O-])C2)C1	ZINC001018962072	664592136	/nfs/dbraw/zinc/59/21/36/664592136.db2.gz	DTJNTAKDPPBHTM-UHFFFAOYSA-N	-1	1	304.306	-1.053	20	0		DAADMM
O=C(C[C@H]1CCNC1=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001018960566	664592446	/nfs/dbraw/zinc/59/24/46/664592446.db2.gz	UZAWIEAPDTUOGL-BDAKNGLRSA-N	-1	1	308.342	-1.273	20	0		DAADMM
CN1C[C@H](C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)NC1=O	ZINC001019240400	664596459	/nfs/dbraw/zinc/59/64/59/664596459.db2.gz	KHLWUHIGPXVERO-JGVFFNPUSA-N	-1	1	309.330	-1.776	20	0		DAADMM
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019390326	664600489	/nfs/dbraw/zinc/60/04/89/664600489.db2.gz	CUAJZPGYTLYLAT-AEJSXWLSSA-N	-1	1	322.369	-1.075	20	0		DAADMM
O=C(C1CC(=O)NC(=O)C1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019507706	664601755	/nfs/dbraw/zinc/60/17/55/664601755.db2.gz	JZTNNWHKIBLONV-QMMMGPOBSA-N	-1	1	322.325	-1.746	20	0		DAADMM
Cn1nc(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)ccc1=O	ZINC001019741256	664604106	/nfs/dbraw/zinc/60/41/06/664604106.db2.gz	OYKYXFNYIFMMPB-QMMMGPOBSA-N	-1	1	319.325	-1.392	20	0		DAADMM
O=C(CN1C(=O)CCC1=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019753948	664604712	/nfs/dbraw/zinc/60/47/12/664604712.db2.gz	YUPPLBBGLPDFRI-QMMMGPOBSA-N	-1	1	322.325	-1.650	20	0		DAADMM
Cn1cc(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)n(C)c1=O	ZINC001019837581	664605329	/nfs/dbraw/zinc/60/53/29/664605329.db2.gz	ZOZXUPRNBPKTHD-QMMMGPOBSA-N	-1	1	321.341	-1.448	20	0		DAADMM
O=C(C[C@H]1CC(=O)NC1=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019892654	664606038	/nfs/dbraw/zinc/60/60/38/664606038.db2.gz	SPMBPKVSXIHEDK-SFYZADRCSA-N	-1	1	322.325	-1.746	20	0		DAADMM
Cn1cnnc1CN[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001020353063	664611646	/nfs/dbraw/zinc/61/16/46/664611646.db2.gz	NNXZNXDPGAXWAG-LJGSYFOKSA-N	-1	1	320.313	-1.538	20	0		DAADMM
Cn1ncnc1CN[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001020352876	664611938	/nfs/dbraw/zinc/61/19/38/664611938.db2.gz	CZLMESIOWPTZEU-LJGSYFOKSA-N	-1	1	320.313	-1.538	20	0		DAADMM
Cn1nncc1C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001038209603	664612274	/nfs/dbraw/zinc/61/22/74/664612274.db2.gz	XWPUYXNCBZBDGS-MRVPVSSYSA-N	-1	1	306.330	-1.759	20	0		DAADMM
Cn1cncc1C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001038471111	664613215	/nfs/dbraw/zinc/61/32/15/664613215.db2.gz	SIBKUJFTJDNENC-SECBINFHSA-N	-1	1	305.342	-1.154	20	0		DAADMM
Cn1cncc1C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001038471112	664613317	/nfs/dbraw/zinc/61/33/17/664613317.db2.gz	SIBKUJFTJDNENC-VIFPVBQESA-N	-1	1	305.342	-1.154	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)nc1=O	ZINC001038598715	664615190	/nfs/dbraw/zinc/61/51/90/664615190.db2.gz	BRLDFXCKMYENBR-SVDPJWKOSA-N	-1	1	307.354	-1.309	20	0		DAADMM
Cn1ncc(C(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)n1	ZINC001038803343	664616939	/nfs/dbraw/zinc/61/69/39/664616939.db2.gz	ZRTCWEZWOQFGSE-MRVPVSSYSA-N	-1	1	306.330	-1.759	20	0		DAADMM
Cn1ccc(C(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)n1	ZINC001039021918	664618584	/nfs/dbraw/zinc/61/85/84/664618584.db2.gz	MMICKCNZARVVDS-SECBINFHSA-N	-1	1	305.342	-1.154	20	0		DAADMM
Cc1nonc1C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001039084793	664618996	/nfs/dbraw/zinc/61/89/96/664618996.db2.gz	MDZFJTPZPIQORP-MRVPVSSYSA-N	-1	1	307.314	-1.196	20	0		DAADMM
Cn1cncc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001077316892	677800084	/nfs/dbraw/zinc/80/00/84/677800084.db2.gz	USFCWWMENFJXHR-PSASIEDQSA-N	-1	1	321.341	-2.183	20	0		DAADMM
CN1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001083573446	677800572	/nfs/dbraw/zinc/80/05/72/677800572.db2.gz	JGBUYYAXKCXPML-MXWKQRLJSA-N	-1	1	324.385	-1.344	20	0		DAADMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCNC(=O)N(C)C	ZINC000912547700	677818743	/nfs/dbraw/zinc/81/87/43/677818743.db2.gz	NYUVQRCZUJQGIF-UHFFFAOYSA-N	-1	1	319.343	-1.254	20	0		DAADMM
NC(=O)C(=O)NC[C@]1(O)CCN(C(=O)c2ncccc2[O-])C1	ZINC001040750952	677846161	/nfs/dbraw/zinc/84/61/61/677846161.db2.gz	QWTHTLCKVYVMIM-CYBMUJFWSA-N	-1	1	308.294	-2.034	20	0		DAADMM
CS(=O)(=O)CC(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001044948906	677961146	/nfs/dbraw/zinc/96/11/46/677961146.db2.gz	QMOMQVCJKXQPOB-QMMMGPOBSA-N	-1	1	317.371	-1.365	20	0		DAADMM
NC(=O)C(=O)NCC1(O)CCN(C(=O)c2ncccc2[O-])CC1	ZINC001074559131	678197160	/nfs/dbraw/zinc/19/71/60/678197160.db2.gz	RCEQVNKHXLEGAX-UHFFFAOYSA-N	-1	1	322.321	-1.644	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)[C@@H]1COCCN1C	ZINC001074612733	678198245	/nfs/dbraw/zinc/19/82/45/678198245.db2.gz	MVMHXEFGYXMVKE-DCAQKATOSA-N	-1	1	324.385	-1.080	20	0		DAADMM
C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)[C@H]1COCCN1C	ZINC001074612734	678198404	/nfs/dbraw/zinc/19/84/04/678198404.db2.gz	MVMHXEFGYXMVKE-GARJFASQSA-N	-1	1	324.385	-1.080	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)C(C)(C)F)[C@@H](O)C2)nc1=O	ZINC001083305172	677687555	/nfs/dbraw/zinc/68/75/55/677687555.db2.gz	AZKKLSDOIDVRDX-SFYZADRCSA-N	-1	1	301.322	-1.482	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3cccnc3)[C@@H](O)C2)nc1=O	ZINC001083308457	677687873	/nfs/dbraw/zinc/68/78/73/677687873.db2.gz	CBKHEYBIHGRPAO-MNOVXSKESA-N	-1	1	318.337	-1.522	20	0		DAADMM
Cc1occc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001083328097	677689880	/nfs/dbraw/zinc/68/98/80/677689880.db2.gz	ZEOTUKBSHOYFIV-MNOVXSKESA-N	-1	1	321.337	-1.015	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)nc1=O	ZINC001075632831	677689930	/nfs/dbraw/zinc/68/99/30/677689930.db2.gz	PEBGGZUPXVCTDZ-DTWKUNHWSA-N	-1	1	308.342	-1.984	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](CNC(=O)[C@H]3COC(=O)N3)C2)nc1=O	ZINC001028519762	677690159	/nfs/dbraw/zinc/69/01/59/677690159.db2.gz	SNOHAADQTOJTGB-DTWKUNHWSA-N	-1	1	324.341	-1.845	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)Cn3cccn3)[C@@H](O)C2)nc1=O	ZINC001083339815	677690842	/nfs/dbraw/zinc/69/08/42/677690842.db2.gz	CFQCTYRMEPYLFT-ZJUUUORDSA-N	-1	1	321.341	-2.334	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3ccoc3)[C@@H](O)C2)nc1=O	ZINC001083338099	677690883	/nfs/dbraw/zinc/69/08/83/677690883.db2.gz	XJWCENZLRAFNIZ-ZJUUUORDSA-N	-1	1	307.310	-1.324	20	0		DAADMM
Cn1cccc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001083344574	677690949	/nfs/dbraw/zinc/69/09/49/677690949.db2.gz	XGEFJUWOFILWMA-KOLCDFICSA-N	-1	1	320.353	-1.578	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)nc1=O	ZINC001083353252	677691179	/nfs/dbraw/zinc/69/11/79/677691179.db2.gz	VUAWLZJMGNQTIK-BDAKNGLRSA-N	-1	1	307.314	-2.193	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3cncs3)[C@@H](O)C2)nc1=O	ZINC001083359850	677691540	/nfs/dbraw/zinc/69/15/40/677691540.db2.gz	BTZMIZJSROUQEB-SFYZADRCSA-N	-1	1	324.366	-1.460	20	0		DAADMM
Cc1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)[nH]n1	ZINC001083357000	677691597	/nfs/dbraw/zinc/69/15/97/677691597.db2.gz	VUTVFYDFKOZYQO-ZJUUUORDSA-N	-1	1	321.341	-1.885	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)Cc3ccon3)[C@@H](O)C2)nc1=O	ZINC001083378025	677692544	/nfs/dbraw/zinc/69/25/44/677692544.db2.gz	VXXWQPJVKMFHEC-ZJUUUORDSA-N	-1	1	322.325	-2.000	20	0		DAADMM
C[C@H](C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O)C1CC1	ZINC001083389913	677693347	/nfs/dbraw/zinc/69/33/47/677693347.db2.gz	WKHBOQRPCUFOHV-GDPRMGEGSA-N	-1	1	309.370	-1.184	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)[C@@H](O)C2)nc1=O	ZINC001083393087	677693544	/nfs/dbraw/zinc/69/35/44/677693544.db2.gz	JPEAXEASBHLHGN-OQEOFVATSA-N	-1	1	321.381	-1.184	20	0		DAADMM
C[C@H](C(N)=O)N1CC[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1	ZINC001028734271	677693861	/nfs/dbraw/zinc/69/38/61/677693861.db2.gz	TXMSVLBNIOMMTE-RKDXNWHRSA-N	-1	1	323.353	-1.589	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](CNC(=O)[C@H]3CCNC3=O)C2)nc1=O	ZINC001028734606	677693907	/nfs/dbraw/zinc/69/39/07/677693907.db2.gz	BDVUYJQDENFHDI-ZJUUUORDSA-N	-1	1	322.369	-1.817	20	0		DAADMM
Cc1cc(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)[nH]n1	ZINC001083400882	677694522	/nfs/dbraw/zinc/69/45/22/677694522.db2.gz	KIXDQGTZZAXXBL-ZJUUUORDSA-N	-1	1	321.341	-1.554	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)[C@H]3CC3(C)C)[C@@H](O)C2)nc1=O	ZINC001083412784	677696005	/nfs/dbraw/zinc/69/60/05/677696005.db2.gz	QMHAZFKEPMNFGN-BBBLOLIVSA-N	-1	1	309.370	-1.184	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)[C@@H]3CC3(C)C)[C@@H](O)C2)nc1=O	ZINC001083412783	677696023	/nfs/dbraw/zinc/69/60/23/677696023.db2.gz	QMHAZFKEPMNFGN-AEJSXWLSSA-N	-1	1	309.370	-1.184	20	0		DAADMM
CN(C(=O)c1ccnn1C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042527101	677700045	/nfs/dbraw/zinc/70/00/45/677700045.db2.gz	GQIUKQAQPMUXNQ-UHFFFAOYSA-N	-1	1	305.342	-1.202	20	0		DAADMM
Cn1nncc1CN1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1	ZINC001083423445	677701015	/nfs/dbraw/zinc/70/10/15/677701015.db2.gz	WIEMMKJEYSSWKA-PWSUYJOCSA-N	-1	1	318.337	-1.109	20	0		DAADMM
CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1	ZINC001029720960	677703203	/nfs/dbraw/zinc/70/32/03/677703203.db2.gz	OWUHCPAYXOMLBA-IUCAKERBSA-N	-1	1	324.341	-1.101	20	0		DAADMM
Cc1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)co1	ZINC001083427827	677705647	/nfs/dbraw/zinc/70/56/47/677705647.db2.gz	WWIWVMNWHDRRHX-MNOVXSKESA-N	-1	1	321.337	-1.015	20	0		DAADMM
Cc1c(C(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)nnn1C	ZINC001038128761	677709036	/nfs/dbraw/zinc/70/90/36/677709036.db2.gz	SXKLBQINWOEPPG-SECBINFHSA-N	-1	1	320.357	-1.450	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C3CCCC3)C2)nc1=O	ZINC001076667721	677748215	/nfs/dbraw/zinc/74/82/15/677748215.db2.gz	IYZQMFGKQFAXIM-GHMZBOCLSA-N	-1	1	309.370	-1.040	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3ccco3)C2)nc1=O	ZINC001076687977	677749028	/nfs/dbraw/zinc/74/90/28/677749028.db2.gz	USKUDMQKXSYBIX-RKDXNWHRSA-N	-1	1	307.310	-1.324	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)nc1=O	ZINC001076696601	677749264	/nfs/dbraw/zinc/74/92/64/677749264.db2.gz	CFIRVGQYLHMBLJ-NXEZZACHSA-N	-1	1	319.325	-2.127	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)nc1=O	ZINC001076769917	677755525	/nfs/dbraw/zinc/75/55/25/677755525.db2.gz	VUAWLZJMGNQTIK-RKDXNWHRSA-N	-1	1	307.314	-2.193	20	0		DAADMM
Cc1ocnc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001076789655	677756923	/nfs/dbraw/zinc/75/69/23/677756923.db2.gz	ORPHDSGVMRFGMZ-RKDXNWHRSA-N	-1	1	322.325	-1.620	20	0		DAADMM
Cn1ncc(CN2C[C@@H](O)[C@H](NC(=O)c3ncccc3[O-])C2)n1	ZINC001076917082	677769449	/nfs/dbraw/zinc/76/94/49/677769449.db2.gz	PLRLWSZXUZWWKS-ZYHUDNBSSA-N	-1	1	318.337	-1.109	20	0		DAADMM
Cn1nncc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001076945398	677771260	/nfs/dbraw/zinc/77/12/60/677771260.db2.gz	HUVCVPNIVLIJPE-VXNVDRBHSA-N	-1	1	322.329	-2.788	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3(F)F)C2)nc1=O	ZINC001076969315	677775243	/nfs/dbraw/zinc/77/52/43/677775243.db2.gz	QHPFUUCMXXOOSX-XLPZGREQSA-N	-1	1	317.296	-1.575	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)nc1=O	ZINC001077030292	677779743	/nfs/dbraw/zinc/77/97/43/677779743.db2.gz	BXTBJRDPPYCLLV-KSQLKPTDSA-N	-1	1	323.353	-2.194	20	0		DAADMM
CN1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O	ZINC001077236346	677792978	/nfs/dbraw/zinc/79/29/78/677792978.db2.gz	JGBUYYAXKCXPML-GMTAPVOTSA-N	-1	1	324.385	-1.344	20	0		DAADMM
C[C@@H](CCNC(=O)c1cnn[nH]1)NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001077296157	677797323	/nfs/dbraw/zinc/79/73/23/677797323.db2.gz	WIODBGRWXFBLGP-LURJTMIESA-N	-1	1	324.301	-1.868	20	0		DAADMM
COC[C@H](C)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1	ZINC001083608163	677810676	/nfs/dbraw/zinc/81/06/76/677810676.db2.gz	IFDDJTGFNUBLBJ-RNJXMRFFSA-N	-1	1	313.314	-1.907	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)[C@]34C[C@H]3CCC4)[C@@H](O)C2)nc1=O	ZINC001083655575	677819527	/nfs/dbraw/zinc/81/95/27/677819527.db2.gz	XDSFGRLXGPIEEZ-YYHMBLRTSA-N	-1	1	321.381	-1.040	20	0		DAADMM
NC(=O)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])[C@H](O)C1	ZINC000991423390	677821811	/nfs/dbraw/zinc/82/18/11/677821811.db2.gz	ILXQZFDTFWBQDL-VXNVDRBHSA-N	-1	1	308.294	-2.036	20	0		DAADMM
Cc1n[nH]cc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001077481044	677831292	/nfs/dbraw/zinc/83/12/92/677831292.db2.gz	GDJVSFFRPKKGGE-NXEZZACHSA-N	-1	1	321.341	-1.885	20	0		DAADMM
C[C@@H](CCNC(=O)c1cc(=O)n2[n-]cnc2n1)NC(=O)C(N)=O	ZINC001077488291	677832019	/nfs/dbraw/zinc/83/20/19/677832019.db2.gz	LDMGQTIVFWPVRZ-LURJTMIESA-N	-1	1	321.297	-2.473	20	0		DAADMM
COCCN1C[C@@H](O)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1	ZINC001077498390	677832542	/nfs/dbraw/zinc/83/25/42/677832542.db2.gz	HHYGMHPMHSLAKK-NXEZZACHSA-N	-1	1	312.326	-2.093	20	0		DAADMM
Cc1nn[nH]c1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O	ZINC001077495028	677832731	/nfs/dbraw/zinc/83/27/31/677832731.db2.gz	OEMCZSWGKPWXCR-HTQZYQBOSA-N	-1	1	322.329	-2.490	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)[C@H]3CCNC3=O)[C@@H](O)C2)nc1=O	ZINC001083697775	677838305	/nfs/dbraw/zinc/83/83/05/677838305.db2.gz	LQLQDAOYJNUOJP-YIZRAAEISA-N	-1	1	324.341	-3.094	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)C3(C)CCC3)[C@@H](O)C2)nc1=O	ZINC001083703231	677840262	/nfs/dbraw/zinc/84/02/62/677840262.db2.gz	GJSCMLUXJSTFHT-ZJUUUORDSA-N	-1	1	309.370	-1.040	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H](O)C2)nc1=O	ZINC001083709305	677842576	/nfs/dbraw/zinc/84/25/76/677842576.db2.gz	IXNXUWZDFQOBJX-ULHKAFAUSA-N	-1	1	323.353	-2.338	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)nc1=O	ZINC001077536422	677849773	/nfs/dbraw/zinc/84/97/73/677849773.db2.gz	IXNXUWZDFQOBJX-KNDBQHFLSA-N	-1	1	323.353	-2.338	20	0		DAADMM
Cc1coc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)c1	ZINC001077540958	677851170	/nfs/dbraw/zinc/85/11/70/677851170.db2.gz	IIQZBOUOIDNUFZ-NXEZZACHSA-N	-1	1	321.337	-1.015	20	0		DAADMM
COC[C@]1(C(=O)[N-]S(=O)(=O)CC(F)(F)F)CNCCO1	ZINC000901029078	677851315	/nfs/dbraw/zinc/85/13/15/677851315.db2.gz	MMPXAEQCZMBOEE-QMMMGPOBSA-N	-1	1	320.289	-1.000	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)nc1=O	ZINC001077542494	677853235	/nfs/dbraw/zinc/85/32/35/677853235.db2.gz	DAJOCAMZBCWDKP-YBXAARCKSA-N	-1	1	321.381	-1.184	20	0		DAADMM
C[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001077796569	677882119	/nfs/dbraw/zinc/88/21/19/677882119.db2.gz	KEYPAYFWANKTLE-FBIMIBRVSA-N	-1	1	321.337	-1.822	20	0		DAADMM
CN1C[C@H](C(=O)N2CCC[C@H](NCc3n[nH]c(=O)[n-]3)C2)NC1=O	ZINC000999890934	677892415	/nfs/dbraw/zinc/89/24/15/677892415.db2.gz	OOQDFWQTDXNCBC-DTWKUNHWSA-N	-1	1	323.357	-1.386	20	0		DAADMM
O=C([C@H]1CCNC1=O)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000999893216	677892541	/nfs/dbraw/zinc/89/25/41/677892541.db2.gz	HOTJTVNIDUVXPS-BDAKNGLRSA-N	-1	1	308.342	-1.273	20	0		DAADMM
CCn1cc(C(=O)N(C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001044109226	677941929	/nfs/dbraw/zinc/94/19/29/677941929.db2.gz	ZVWYIUXKMVERFV-UHFFFAOYSA-N	-1	1	320.357	-1.324	20	0		DAADMM
O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1nnc[nH]1	ZINC001035551828	677973156	/nfs/dbraw/zinc/97/31/56/677973156.db2.gz	PPTFJHWKGYKGFB-SSDOTTSWSA-N	-1	1	308.302	-1.741	20	0		DAADMM
O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1ncn[nH]1	ZINC001035551828	677973160	/nfs/dbraw/zinc/97/31/60/677973160.db2.gz	PPTFJHWKGYKGFB-SSDOTTSWSA-N	-1	1	308.302	-1.741	20	0		DAADMM
NC(=O)CC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])CCO1	ZINC001065074321	678012775	/nfs/dbraw/zinc/01/27/75/678012775.db2.gz	VBIMKMFHQRVVSD-VIFPVBQESA-N	-1	1	322.321	-1.380	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C1=COCCO1	ZINC001079374517	678020233	/nfs/dbraw/zinc/02/02/33/678020233.db2.gz	SDAITBJISSYLKU-NXEZZACHSA-N	-1	1	323.353	-1.067	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1	ZINC001080361250	678034372	/nfs/dbraw/zinc/03/43/72/678034372.db2.gz	YEWSRKHLNSXEIX-HRDYMLBCSA-N	-1	1	323.357	-2.274	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O	ZINC001080459077	678036763	/nfs/dbraw/zinc/03/67/63/678036763.db2.gz	MYQNQFUERPOIIN-DOLQZWNJSA-N	-1	1	322.369	-1.834	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1cnon1	ZINC001080647088	678039462	/nfs/dbraw/zinc/03/94/62/678039462.db2.gz	DSRRZBQFPBZFKN-VXNVDRBHSA-N	-1	1	307.314	-1.258	20	0		DAADMM
CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1ccn[nH]1	ZINC001081385500	678072752	/nfs/dbraw/zinc/07/27/52/678072752.db2.gz	RNLRMLPBPZGFJK-NXEZZACHSA-N	-1	1	321.341	-1.539	20	0		DAADMM
CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)[C@@H]1CCCN1C	ZINC001081446128	678079888	/nfs/dbraw/zinc/07/98/88/678079888.db2.gz	PZNKNUZRSMDMON-OUAUKWLOSA-N	-1	1	324.385	-1.080	20	0		DAADMM
CO[C@@H]1CN(CCF)C[C@H]1NC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001082325229	678115347	/nfs/dbraw/zinc/11/53/47/678115347.db2.gz	YDJFCFJBMSPFRE-NXEZZACHSA-N	-1	1	324.316	-1.184	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082430931	678117041	/nfs/dbraw/zinc/11/70/41/678117041.db2.gz	KXJLSLVOHOZAQR-BBBLOLIVSA-N	-1	1	311.342	-1.138	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082684187	678118888	/nfs/dbraw/zinc/11/88/88/678118888.db2.gz	RESFBLWHZTZUMS-HRDYMLBCSA-N	-1	1	308.342	-1.417	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082684578	678118962	/nfs/dbraw/zinc/11/89/62/678118962.db2.gz	GOLAATHMJIROGM-IWSPIJDZSA-N	-1	1	323.357	-1.530	20	0		DAADMM
C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001082872530	678120213	/nfs/dbraw/zinc/12/02/13/678120213.db2.gz	OINCTYPJZXSEHW-HRDYMLBCSA-N	-1	1	308.342	-1.275	20	0		DAADMM
Cn1[n-]c(CN2CCC3(CN(C(=O)c4cn[nH]n4)C3)C2)nc1=O	ZINC001072888766	678165710	/nfs/dbraw/zinc/16/57/10/678165710.db2.gz	ZCCKSLNEEUEDST-UHFFFAOYSA-N	-1	1	318.341	-1.425	20	0		DAADMM
C[C@H](C(N)=O)N1CCC2(CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1	ZINC001072897975	678165742	/nfs/dbraw/zinc/16/57/42/678165742.db2.gz	BPXLJKKSASUFCL-SSDOTTSWSA-N	-1	1	322.325	-1.696	20	0		DAADMM
O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1cnn[nH]1	ZINC001073674779	678177307	/nfs/dbraw/zinc/17/73/07/678177307.db2.gz	NIKOKEWYTIKMRG-MRVPVSSYSA-N	-1	1	322.329	-1.351	20	0		DAADMM
NC(=O)c1ccc(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)[nH]1	ZINC001019392675	678216173	/nfs/dbraw/zinc/21/61/73/678216173.db2.gz	JEGJXNWVYKITOQ-ZETCQYMHSA-N	-1	1	319.325	-1.058	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@@H]2CCC(=O)N2)nc1=O	ZINC001038928063	678221184	/nfs/dbraw/zinc/22/11/84/678221184.db2.gz	IJPOGNUSNWXXSD-BDAKNGLRSA-N	-1	1	308.342	-1.923	20	0		DAADMM
CCC(=O)NCC1(O)CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001041032942	678262060	/nfs/dbraw/zinc/26/20/60/678262060.db2.gz	VWORDRJBCSKIRQ-UHFFFAOYSA-N	-1	1	324.337	-1.974	20	0		DAADMM
NC(=O)CN1CC[C@@]2(CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1	ZINC001041805906	678303597	/nfs/dbraw/zinc/30/35/97/678303597.db2.gz	QUYMXLPZMMYSNQ-CYBMUJFWSA-N	-1	1	324.341	-1.901	20	0		DAADMM
COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042535058	678330939	/nfs/dbraw/zinc/33/09/39/678330939.db2.gz	VBZUZAWVLKFQCJ-VHSXEESVSA-N	-1	1	323.353	-1.440	20	0		DAADMM
CN(C(=O)[C@H]1CN(C)CCO1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042573864	678333476	/nfs/dbraw/zinc/33/34/76/678333476.db2.gz	WKXDCSPNTPOPMA-LLVKDONJSA-N	-1	1	324.385	-1.918	20	0		DAADMM
CN(C(=O)c1cnn(C)c1N)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042642458	678334934	/nfs/dbraw/zinc/33/49/34/678334934.db2.gz	IKNFBECZYYVFEE-UHFFFAOYSA-N	-1	1	320.357	-1.620	20	0		DAADMM
CN(C(=O)[C@H]1COCCN1C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042637727	678335011	/nfs/dbraw/zinc/33/50/11/678335011.db2.gz	QAYISDAJBOEECT-LLVKDONJSA-N	-1	1	324.385	-1.918	20	0		DAADMM
CN(C(=O)c1cc(=O)n(C)o1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042660750	678336323	/nfs/dbraw/zinc/33/63/23/678336323.db2.gz	SSTANYWWLPMHEQ-UHFFFAOYSA-N	-1	1	322.325	-1.644	20	0		DAADMM
CN(C(=O)[C@@H]1COC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042675692	678337841	/nfs/dbraw/zinc/33/78/41/678337841.db2.gz	XLBFNQVYPCOZKC-QMMMGPOBSA-N	-1	1	310.314	-2.141	20	0		DAADMM
Cc1nnc(CC(=O)N(C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)o1	ZINC001042682982	678338406	/nfs/dbraw/zinc/33/84/06/678338406.db2.gz	ICOWDDVWEGDDDY-UHFFFAOYSA-N	-1	1	321.341	-1.315	20	0		DAADMM
CCn1ncc(C(=O)N(C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)n1	ZINC001042689616	678338788	/nfs/dbraw/zinc/33/87/88/678338788.db2.gz	LMVTYZBCBCHZAK-UHFFFAOYSA-N	-1	1	320.357	-1.324	20	0		DAADMM
Cc1nnc(CC(=O)N(C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)[nH]1	ZINC001042699657	678339463	/nfs/dbraw/zinc/33/94/63/678339463.db2.gz	CQDNUCKYQQLFGN-UHFFFAOYSA-N	-1	1	320.357	-1.580	20	0		DAADMM
CN(C(=O)Cc1ccn(C)n1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001042711227	678339773	/nfs/dbraw/zinc/33/97/73/678339773.db2.gz	NNYAUFLDJNLSQO-UHFFFAOYSA-N	-1	1	319.369	-1.273	20	0		DAADMM
CN(C(=O)[C@@H]1CCC(=O)NC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043190423	678370948	/nfs/dbraw/zinc/37/09/48/678370948.db2.gz	LBBGUUJVNDWQKF-SECBINFHSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN(C(=O)c1csnn1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043491579	678382927	/nfs/dbraw/zinc/38/29/27/678382927.db2.gz	RBLHLTGJLFWNJS-UHFFFAOYSA-N	-1	1	309.355	-1.084	20	0		DAADMM
CN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043536300	678385009	/nfs/dbraw/zinc/38/50/09/678385009.db2.gz	JWFZYZNMNWOGHJ-VIFPVBQESA-N	-1	1	323.357	-2.225	20	0		DAADMM
CN(C(=O)[C@@H]1CCC(=O)N1C)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001043559985	678386022	/nfs/dbraw/zinc/38/60/22/678386022.db2.gz	OHPGINCTUTYHBH-JTQLQIEISA-N	-1	1	322.369	-1.628	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)C1CN(CC(N)=O)C1	ZINC001044181368	678415366	/nfs/dbraw/zinc/41/53/66/678415366.db2.gz	VCNXTXSOYUAIBK-UHFFFAOYSA-N	-1	1	311.298	-1.862	20	0		DAADMM
CN(C(=O)Cn1ccnc1)C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001044364700	678421627	/nfs/dbraw/zinc/42/16/27/678421627.db2.gz	BIIAEMYRWKTNPP-UHFFFAOYSA-N	-1	1	305.342	-1.352	20	0		DAADMM
O=C(Cn1cnnn1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001044915794	678439714	/nfs/dbraw/zinc/43/97/14/678439714.db2.gz	UNUXLNAGPMWCKP-QMMMGPOBSA-N	-1	1	307.318	-1.722	20	0		DAADMM
Cn1nnc(C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)n1	ZINC001045158647	678447803	/nfs/dbraw/zinc/44/78/03/678447803.db2.gz	AMCPRAQGXBELJS-ZETCQYMHSA-N	-1	1	307.318	-1.572	20	0		DAADMM
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1	ZINC001045203207	678450837	/nfs/dbraw/zinc/45/08/37/678450837.db2.gz	OFVZKNDZWXSHSH-YIZRAAEISA-N	-1	1	308.342	-1.288	20	0		DAADMM
C[C@H](C(N)=O)N1CCC(C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001045492378	678459370	/nfs/dbraw/zinc/45/93/70/678459370.db2.gz	IURCOJRDGKMLES-SSDOTTSWSA-N	-1	1	324.341	-1.259	20	0		DAADMM
CC(=O)N1CCN([C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)CC1	ZINC001045992110	678472216	/nfs/dbraw/zinc/47/22/16/678472216.db2.gz	ISDCHJMRBQJWKH-LBPRGKRZSA-N	-1	1	308.386	-1.153	20	0		DAADMM
Cn1cc(C(=O)N[C@]2(C)CCN(Cc3nc(=O)n(C)[n-]3)C2)nn1	ZINC001046293831	678481301	/nfs/dbraw/zinc/48/13/01/678481301.db2.gz	ONOYQGHXWPZMKF-CYBMUJFWSA-N	-1	1	320.357	-1.369	20	0		DAADMM
CC[C@H](C(N)=O)N1CC[C@@](C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001046453552	678482861	/nfs/dbraw/zinc/48/28/61/678482861.db2.gz	IIJBXVQNWGADDU-FUXBKTLASA-N	-1	1	324.341	-1.259	20	0		DAADMM
Cn1[n-]c(CN2CC[C@](C)(NC(=O)[C@H]3CCNC3=O)C2)nc1=O	ZINC001046540657	678484535	/nfs/dbraw/zinc/48/45/35/678484535.db2.gz	YIVQYQZCEIJTNM-XPTSAGLGSA-N	-1	1	322.369	-1.675	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@](C)(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)nc1=O	ZINC001046627056	678487636	/nfs/dbraw/zinc/48/76/36/678487636.db2.gz	FTZQWSQLVIPIJU-TVLCNXBWSA-N	-1	1	322.369	-1.690	20	0		DAADMM
CN(C(=O)c1ccc[nH]1)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001047302065	678504560	/nfs/dbraw/zinc/50/45/60/678504560.db2.gz	KGZJLFYRUSPJIS-QWRGUYRKSA-N	-1	1	320.353	-1.246	20	0		DAADMM
CN(C(=O)c1cocn1)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001047321476	678506968	/nfs/dbraw/zinc/50/69/68/678506968.db2.gz	LKQRLHNQXXNTSA-UWVGGRQHSA-N	-1	1	322.325	-1.586	20	0		DAADMM
CN(C(=O)Cc1ccn[nH]1)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001047332392	678508383	/nfs/dbraw/zinc/50/83/83/678508383.db2.gz	TWRXZUYWRWQBIX-UWVGGRQHSA-N	-1	1	321.341	-1.520	20	0		DAADMM
COCCN1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001047444578	678520992	/nfs/dbraw/zinc/52/09/92/678520992.db2.gz	DPQSVSKLWZXFBC-YUMQZZPRSA-N	-1	1	313.314	-1.954	20	0		DAADMM
CN(C(=O)c1cnco1)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001047475126	678522780	/nfs/dbraw/zinc/52/27/80/678522780.db2.gz	AFCCSCCCYGNXFE-IUCAKERBSA-N	-1	1	322.325	-1.586	20	0		DAADMM
C[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1	ZINC001048919298	678566611	/nfs/dbraw/zinc/56/66/11/678566611.db2.gz	SXWMEINLLZWZHS-BIIVOSGPSA-N	-1	1	322.325	-1.840	20	0		DAADMM
Cn1[n-]c(CN2CC3(C2)C[C@H](NC(=O)C2CC2)CO3)nc1=O	ZINC001053709781	678611590	/nfs/dbraw/zinc/61/15/90/678611590.db2.gz	BREVXHFPUDZQPC-JTQLQIEISA-N	-1	1	307.354	-1.022	20	0		DAADMM
C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054367487	678630849	/nfs/dbraw/zinc/63/08/49/678630849.db2.gz	RBCNFZGYRTXNRQ-HTQZYQBOSA-N	-1	1	307.318	-1.867	20	0		DAADMM
C[C@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054589437	678632898	/nfs/dbraw/zinc/63/28/98/678632898.db2.gz	YEHAMQCVQDGLCM-QWRGUYRKSA-N	-1	1	324.385	-1.221	20	0		DAADMM
C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1NCc1n[nH]c(=O)[n-]1	ZINC001054620151	678632906	/nfs/dbraw/zinc/63/29/06/678632906.db2.gz	PKJMBHZKWQJQER-SFYZADRCSA-N	-1	1	306.330	-1.111	20	0		DAADMM
CC(=O)NC1CCN(CCNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001055603336	678642270	/nfs/dbraw/zinc/64/22/70/678642270.db2.gz	BYYMUVMMLOCOJC-UHFFFAOYSA-N	-1	1	324.341	-1.387	20	0		DAADMM
CC(=O)N(CCO)CCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001056728753	678664486	/nfs/dbraw/zinc/66/44/86/678664486.db2.gz	KXPIHZDDFQRCAR-UHFFFAOYSA-N	-1	1	308.298	-2.012	20	0		DAADMM
CC(=O)NCC(=O)N(CCO)CCNC(=O)c1ncccc1[O-]	ZINC001056814738	678671807	/nfs/dbraw/zinc/67/18/07/678671807.db2.gz	CAXLLMCOBXQPNY-UHFFFAOYSA-N	-1	1	324.337	-1.526	20	0		DAADMM
O=C(Cn1cncn1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001000863793	678682791	/nfs/dbraw/zinc/68/27/91/678682791.db2.gz	UPWHJBVOLKIGAB-VIFPVBQESA-N	-1	1	306.330	-1.117	20	0		DAADMM
Cn1[n-]c(CN2CCOC[C@H]2CNC(=O)c2cn[nH]c2)nc1=O	ZINC001050831513	678731956	/nfs/dbraw/zinc/73/19/56/678731956.db2.gz	ADLBNNNAHPGGRG-SNVBAGLBSA-N	-1	1	321.341	-1.538	20	0		DAADMM
Cn1[n-]c(CN2CCOC[C@H]2CNC(=O)c2cocn2)nc1=O	ZINC001050841878	678732541	/nfs/dbraw/zinc/73/25/41/678732541.db2.gz	LFFCWFRYISSWFS-SECBINFHSA-N	-1	1	322.325	-1.273	20	0		DAADMM
CN1CCC[C@@H]1C(=O)NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001050848182	678733053	/nfs/dbraw/zinc/73/30/53/678733053.db2.gz	CSFCEXPBZYGIHY-WDEREUQCSA-N	-1	1	324.385	-1.079	20	0		DAADMM
CN1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1	ZINC001050848180	678733243	/nfs/dbraw/zinc/73/32/43/678733243.db2.gz	CSFCEXPBZYGIHY-MNOVXSKESA-N	-1	1	324.385	-1.079	20	0		DAADMM
Cn1[n-]c(CN2CCOC[C@H]2CNC(=O)c2cnco2)nc1=O	ZINC001051050972	678743414	/nfs/dbraw/zinc/74/34/14/678743414.db2.gz	HOMIAGFILRWHMB-SECBINFHSA-N	-1	1	322.325	-1.273	20	0		DAADMM
O=C(NC[C@@H]1COCCN1CCF)c1cc(=O)n2[n-]cnc2n1	ZINC001051209519	678750129	/nfs/dbraw/zinc/75/01/29/678750129.db2.gz	KHWKERDTYAXJTB-SECBINFHSA-N	-1	1	324.316	-1.182	20	0		DAADMM
O=C(c1cc[nH]n1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051453642	678756036	/nfs/dbraw/zinc/75/60/36/678756036.db2.gz	DJTHTWFPJHIDAX-QMMMGPOBSA-N	-1	1	307.314	-1.136	20	0		DAADMM
Cn1nncc1C(=O)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051588455	678762038	/nfs/dbraw/zinc/76/20/38/678762038.db2.gz	SBAWCOREKDJQQG-MRVPVSSYSA-N	-1	1	322.329	-1.730	20	0		DAADMM
Cn1cc(C(=O)N2CCO[C@H](CNCc3n[nH]c(=O)[n-]3)C2)nn1	ZINC001051595691	678763002	/nfs/dbraw/zinc/76/30/02/678763002.db2.gz	YHNQFRUPFSSBHI-MRVPVSSYSA-N	-1	1	322.329	-1.730	20	0		DAADMM
O=C(N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1)[C@]12C[C@H]1COC2	ZINC001051628432	678764823	/nfs/dbraw/zinc/76/48/23/678764823.db2.gz	UQMLLGINWLPOLB-BHDSKKPTSA-N	-1	1	323.353	-1.136	20	0		DAADMM
O=C(Cn1nccn1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051640461	678765671	/nfs/dbraw/zinc/76/56/71/678765671.db2.gz	CTNRBGGKPHJTIT-VIFPVBQESA-N	-1	1	322.329	-1.881	20	0		DAADMM
Cc1n[nH]nc1C(=O)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051749437	678768610	/nfs/dbraw/zinc/76/86/10/678768610.db2.gz	FTICWIAMWXQXFO-MRVPVSSYSA-N	-1	1	322.329	-1.432	20	0		DAADMM
O=C([C@@H]1CCNC1=O)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051752123	678768688	/nfs/dbraw/zinc/76/86/88/678768688.db2.gz	DOOLWTDXFNXUDE-RKDXNWHRSA-N	-1	1	324.341	-2.037	20	0		DAADMM
O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051780516	678771529	/nfs/dbraw/zinc/77/15/29/678771529.db2.gz	OXJJZTGFPNNLOA-UXCLJVHYSA-N	-1	1	323.353	-1.280	20	0		DAADMM
O=C(c1nc[nH]n1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051872136	678776701	/nfs/dbraw/zinc/77/67/01/678776701.db2.gz	FGWXICYMAOLDLF-SSDOTTSWSA-N	-1	1	308.302	-1.741	20	0		DAADMM
O=C(c1ncccn1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051876990	678777235	/nfs/dbraw/zinc/77/72/35/678777235.db2.gz	YELFJGKAXJRLGW-SECBINFHSA-N	-1	1	319.325	-1.069	20	0		DAADMM
O=C(Cc1ncc[nH]1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051883832	678778299	/nfs/dbraw/zinc/77/82/99/678778299.db2.gz	AVGDHQABCDQXQK-VIFPVBQESA-N	-1	1	321.341	-1.207	20	0		DAADMM
Cn1ccc(C(=O)N2CCO[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)n1	ZINC001051932891	678780059	/nfs/dbraw/zinc/78/00/59/678780059.db2.gz	XDCCJVDWCQMJKN-VIFPVBQESA-N	-1	1	321.341	-1.125	20	0		DAADMM
Cc1nonc1C(=O)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051951756	678781476	/nfs/dbraw/zinc/78/14/76/678781476.db2.gz	OFSUXEAQWIBVLT-QMMMGPOBSA-N	-1	1	323.313	-1.167	20	0		DAADMM
CC(=O)NCc1cnn2c1CN(Cc1nc(=O)n(C)[n-]1)CC2	ZINC001069849062	678843974	/nfs/dbraw/zinc/84/39/74/678843974.db2.gz	ABCQYFYISOZPDI-UHFFFAOYSA-N	-1	1	305.342	-1.043	20	0		DAADMM
CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1n1ccnn1	ZINC001069884322	678845353	/nfs/dbraw/zinc/84/53/53/678845353.db2.gz	FBOQCLIFQOZYAQ-ZJUUUORDSA-N	-1	1	306.330	-1.739	20	0		DAADMM
CC(=O)N1CCC(=O)NCCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001070927153	678875739	/nfs/dbraw/zinc/87/57/39/678875739.db2.gz	RUPYWVLDXPDBDL-UHFFFAOYSA-N	-1	1	310.358	-1.721	20	0		DAADMM
CCOC(=O)CCNC(=S)Nc1c(O)[nH]c(=O)[n-]c1=S	ZINC001200182974	782193344	/nfs/dbraw/zinc/19/33/44/782193344.db2.gz	URIOPGCGLRKXIF-ZCFIWIBFSA-N	-1	1	318.380	-1.061	20	0		DAADMM
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)(C)C(N)=O)nc1=O	ZINC001114433442	782247609	/nfs/dbraw/zinc/24/76/09/782247609.db2.gz	KKCXACSPIVBONO-MBTKJCJQSA-N	-1	1	322.369	-1.834	20	0		DAADMM
CCOCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001099645932	782461238	/nfs/dbraw/zinc/46/12/38/782461238.db2.gz	ZSRSSILAWVVYIP-UWVGGRQHSA-N	-1	1	313.358	-1.804	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)CC(N)=O)[C@H](O)C2)nc1=O	ZINC001099744426	782476571	/nfs/dbraw/zinc/47/65/71/782476571.db2.gz	UOTIUOJEOZGXBV-JGVFFNPUSA-N	-1	1	312.330	-2.965	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C2)nc1=O	ZINC001099744429	782477000	/nfs/dbraw/zinc/47/70/00/782477000.db2.gz	UOTIUOJEOZGXBV-YUMQZZPRSA-N	-1	1	312.330	-2.965	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N[C@H]1CCCS(=O)(=O)C1	ZINC001116064642	782657337	/nfs/dbraw/zinc/65/73/37/782657337.db2.gz	DJQJIFMFOUXCBB-VIFPVBQESA-N	-1	1	315.351	-1.380	20	0		DAADMM
Cn1cc(/C=C/C(=O)NCc2nc([O-])n[nH]2)c(=O)n(C)c1=O	ZINC001116201341	782658300	/nfs/dbraw/zinc/65/83/00/782658300.db2.gz	PIXGZYUBCSFBGT-ONEGZZNKSA-N	-1	1	306.282	-1.763	20	0		DAADMM
C[N-]S(=O)(=O)c1cc(C(=O)NCC(=O)NCCOC)co1	ZINC001116379917	782661065	/nfs/dbraw/zinc/66/10/65/782661065.db2.gz	GPYAFDLLHLJEEI-UHFFFAOYSA-N	-1	1	319.339	-1.320	20	0		DAADMM
CN1CC(=O)N(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)C1=O	ZINC001116468280	782662329	/nfs/dbraw/zinc/66/23/29/782662329.db2.gz	DWHQBAGBGNDDSR-MRVPVSSYSA-N	-1	1	307.314	-1.200	20	0		DAADMM
C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C(=O)NCCF	ZINC001116931662	782669451	/nfs/dbraw/zinc/66/94/51/782669451.db2.gz	NESXHQBNXXDHET-MRVPVSSYSA-N	-1	1	300.290	-1.483	20	0		DAADMM
CN(C[C@H](O)CO)C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001117391107	782689326	/nfs/dbraw/zinc/68/93/26/782689326.db2.gz	LYFMPRXFTGUXLZ-QMMMGPOBSA-N	-1	1	307.310	-1.908	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)C(=O)NCC(C)(C)C(N)=O)ccnc1-2	ZINC001117418544	782690118	/nfs/dbraw/zinc/69/01/18/782690118.db2.gz	BSLULLPOIXWLIL-UHFFFAOYSA-N	-1	1	318.337	-1.092	20	0		DAADMM
Cn1[n-]cc2c(=NC(=O)C(=O)NCCCOCCO)ccnc1-2	ZINC001117431371	782690816	/nfs/dbraw/zinc/69/08/16/782690816.db2.gz	SCGYNCMYVIKEGX-UHFFFAOYSA-N	-1	1	321.337	-1.205	20	0		DAADMM
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(=O)[O-]	ZINC001143429079	775199209	/nfs/dbraw/zinc/19/92/09/775199209.db2.gz	HIOWJMBQFKVGJI-IUCAKERBSA-N	-1	1	323.309	-2.002	20	0		DAADMM
CCN(CCNC(=O)C1(C(N)=O)CC1)Cc1nc(=O)n(C)[n-]1	ZINC001267249133	775219402	/nfs/dbraw/zinc/21/94/02/775219402.db2.gz	OIEZMYSRBBAASL-UHFFFAOYSA-N	-1	1	310.358	-1.688	20	0		DAADMM
Cn1nccc1C(=O)N(CCO)CCNCc1n[nH]c(=O)[n-]1	ZINC001279667886	775232086	/nfs/dbraw/zinc/23/20/86/775232086.db2.gz	UHMMFZMASAQPSC-UHFFFAOYSA-N	-1	1	309.330	-1.532	20	0		DAADMM
CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1ccc2nnnn2c1	ZINC001267403335	775236420	/nfs/dbraw/zinc/23/64/20/775236420.db2.gz	YTHQWBBQOFOCGP-UHFFFAOYSA-N	-1	1	317.313	-1.190	20	0		DAADMM
CCCN(C(=O)C(N)=O)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001267547112	775248614	/nfs/dbraw/zinc/24/86/14/775248614.db2.gz	UVXRMKALAFZNAK-SECBINFHSA-N	-1	1	310.358	-1.593	20	0		DAADMM
Cn1[n-]c(CN[C@@H](CNC(=O)C(N)=O)c2ccccc2)nc1=O	ZINC001267520531	775248723	/nfs/dbraw/zinc/24/87/23/775248723.db2.gz	QVRSEGRISLGECB-JTQLQIEISA-N	-1	1	318.337	-1.459	20	0		DAADMM
CCCN(C(=O)C(N)=O)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001267547116	775249197	/nfs/dbraw/zinc/24/91/97/775249197.db2.gz	UVXRMKALAFZNAK-VIFPVBQESA-N	-1	1	310.358	-1.593	20	0		DAADMM
CC(C)C[C@@H](C(N)=O)C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001267672753	775265531	/nfs/dbraw/zinc/26/55/31/775265531.db2.gz	KTVDPWVCFWXPPR-JTQLQIEISA-N	-1	1	324.385	-1.444	20	0		DAADMM
NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(Cc2n[nH]c(=O)[n-]2)C1	ZINC001087386858	775267360	/nfs/dbraw/zinc/26/73/60/775267360.db2.gz	UHCOBBXKHMISIU-XKNYDFJKSA-N	-1	1	320.353	-1.336	20	0		DAADMM
NC(=O)C(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1Cc1n[nH]c(=O)[n-]1	ZINC001087386856	775267373	/nfs/dbraw/zinc/26/73/73/775267373.db2.gz	UHCOBBXKHMISIU-JXUBOQSCSA-N	-1	1	320.353	-1.336	20	0		DAADMM
NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1Cc1n[nH]c(=O)[n-]1	ZINC001087386855	775267388	/nfs/dbraw/zinc/26/73/88/775267388.db2.gz	UHCOBBXKHMISIU-JLIMGVALSA-N	-1	1	320.353	-1.336	20	0		DAADMM
C[C@H]1[C@H](Nc2ncnc3c2CNCC3)C(=O)N1S(=O)(=O)[O-]	ZINC001167859176	775350106	/nfs/dbraw/zinc/35/01/06/775350106.db2.gz	VKKJHYDFHFGJML-RCOVLWMOSA-N	-1	1	313.339	-1.064	20	0		DAADMM
O=C(N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1)[C@H]1CCNC1=O	ZINC001269099221	775441963	/nfs/dbraw/zinc/44/19/63/775441963.db2.gz	JMXNIASXUIVIEP-IUCAKERBSA-N	-1	1	308.342	-1.369	20	0		DAADMM
CN(C(=O)C1(C(N)=O)CC1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001269269287	775454005	/nfs/dbraw/zinc/45/40/05/775454005.db2.gz	XRCAYRGPXFAHAK-VIFPVBQESA-N	-1	1	322.369	-1.593	20	0		DAADMM
CN(C(=O)CCn1cc[n-]c(=O)c1=O)[C@H]1CCN(CC(N)=O)C1	ZINC001269280215	775454971	/nfs/dbraw/zinc/45/49/71/775454971.db2.gz	INOVJPGEKVMWAF-JTQLQIEISA-N	-1	1	323.353	-2.055	20	0		DAADMM
C[C@H](C(N)=O)N1CC[C@@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001269321172	775460590	/nfs/dbraw/zinc/46/05/90/775460590.db2.gz	PYXAHQPXUPUKFD-NXEZZACHSA-N	-1	1	323.353	-2.009	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC[C@@]2(C1)CN(C1COC1)C(=O)CO2	ZINC001269578169	775471446	/nfs/dbraw/zinc/47/14/46/775471446.db2.gz	VBBXNEJMTPNMPU-CYBMUJFWSA-N	-1	1	322.325	-2.029	20	0		DAADMM
CC(C)CN1C(=O)COCC12CN(C(=O)Cc1nn[n-]n1)C2	ZINC001269577989	775471985	/nfs/dbraw/zinc/47/19/85/775471985.db2.gz	RDCWCTPIZZYGNR-UHFFFAOYSA-N	-1	1	308.342	-1.162	20	0		DAADMM
CC(C)CN1CC2(CN(C(=O)Cc3nn[n-]n3)C2)OCC1=O	ZINC001269577208	775473328	/nfs/dbraw/zinc/47/33/28/775473328.db2.gz	HDVOJSMGEZYLFU-UHFFFAOYSA-N	-1	1	308.342	-1.162	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC[C@@H]2[C@H]1CCC(=O)N2C1COC1	ZINC001269577467	775473449	/nfs/dbraw/zinc/47/34/49/775473449.db2.gz	JQXXQYYWPHRTCU-NXEZZACHSA-N	-1	1	306.326	-1.267	20	0		DAADMM
CC(=O)[C@H](C)N1C(=O)COCC12CN(C(=O)Cc1nn[n-]n1)C2	ZINC001269576710	775473646	/nfs/dbraw/zinc/47/36/46/775473646.db2.gz	TXGWXVSBNUSSLR-QMMMGPOBSA-N	-1	1	322.325	-1.841	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1C[C@@H]2COC[C@H](C1)N2Cc1cn[nH]c1	ZINC001270182307	775484431	/nfs/dbraw/zinc/48/44/31/775484431.db2.gz	CHDFZNMSUGMGJY-PHIMTYICSA-N	-1	1	318.341	-1.423	20	0		DAADMM
CC(C)NC(=O)N1CCO[C@H]2CN(C(=O)Cc3nn[n-]n3)C[C@@H]21	ZINC001270182944	775486128	/nfs/dbraw/zinc/48/61/28/775486128.db2.gz	OEZNZNYFSHAVEF-UWVGGRQHSA-N	-1	1	323.357	-1.228	20	0		DAADMM
CN1CCN(C(=O)Cc2nnn[n-]2)C[C@@]2(CCCC(=O)N2)C1	ZINC001270183517	775486293	/nfs/dbraw/zinc/48/62/93/775486293.db2.gz	YFVOFWQGGQBUPG-CYBMUJFWSA-N	-1	1	307.358	-1.445	20	0		DAADMM
CC(C)NC(=O)N1C[C@@H]2COC[C@H](C1)N2C(=O)Cc1nn[n-]n1	ZINC001270183528	775486853	/nfs/dbraw/zinc/48/68/53/775486853.db2.gz	YIJBWVVSGFETPD-AOOOYVTPSA-N	-1	1	323.357	-1.228	20	0		DAADMM
CN(C)C(=O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nn[n-]n1	ZINC001270183189	775486933	/nfs/dbraw/zinc/48/69/33/775486933.db2.gz	RSHULBLMIFJIOL-AOOOYVTPSA-N	-1	1	307.358	-1.494	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1C[C@H]2CN(Cc3cn[nH]c3)C[C@@H](C1)O2	ZINC001270183000	775487123	/nfs/dbraw/zinc/48/71/23/775487123.db2.gz	PGRLQRROCXYWKV-PHIMTYICSA-N	-1	1	318.341	-1.423	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC2(C[C@@H]2C(=O)Nc2cn[nH]c2)C1	ZINC001270784200	775507218	/nfs/dbraw/zinc/50/72/18/775507218.db2.gz	FDXBTLAOQGNCSR-MRVPVSSYSA-N	-1	1	302.298	-1.048	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC[C@H]2C[C@]21C(=O)NCc1c[nH]cn1	ZINC001270789503	775508819	/nfs/dbraw/zinc/50/88/19/775508819.db2.gz	RRZUQVPDFIKZSA-ISVAXAHUSA-N	-1	1	316.325	-1.227	20	0		DAADMM
CC(C)(C)NC(=O)C1=NO[C@@H]2CN(C(=O)Cc3nn[n-]n3)C[C@H]12	ZINC001270784561	775508928	/nfs/dbraw/zinc/50/89/28/775508928.db2.gz	KKODMDZVGJQKPV-JGVFFNPUSA-N	-1	1	321.341	-1.130	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CC2(C[C@@H]2C(=O)NCC(F)F)C1	ZINC001270790012	775509465	/nfs/dbraw/zinc/50/94/65/775509465.db2.gz	ZOHIBKZFOAKBBT-ZCFIWIBFSA-N	-1	1	300.269	-1.028	20	0		DAADMM
CN(C)C(=O)C[C@@H]1C[C@@H]2CN(C(=O)Cc3nn[n-]n3)C[C@@H]2O1	ZINC001270788361	775509576	/nfs/dbraw/zinc/50/95/76/775509576.db2.gz	GHLOGUCTLINYFF-UTLUCORTSA-N	-1	1	308.342	-1.164	20	0		DAADMM
CC(C)c1nc(CNCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n[nH]1	ZINC001149141983	775514057	/nfs/dbraw/zinc/51/40/57/775514057.db2.gz	WCGUPZMFGVBLGC-UHFFFAOYSA-N	-1	1	324.345	-1.163	20	0		DAADMM
C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)C(=O)NCC(F)F	ZINC001271020966	775524621	/nfs/dbraw/zinc/52/46/21/775524621.db2.gz	HLRQNOKKPZTIIY-LURJTMIESA-N	-1	1	320.300	-1.172	20	0		DAADMM
C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)CN1C(=O)CCC1=O	ZINC001271195749	775554716	/nfs/dbraw/zinc/55/47/16/775554716.db2.gz	ASHALXMXBOJQSC-MRVPVSSYSA-N	-1	1	324.341	-1.404	20	0		DAADMM
CO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC	ZINC001211956907	775627416	/nfs/dbraw/zinc/62/74/16/775627416.db2.gz	KALKWUKPLZPUFG-IVZWLZJFSA-N	-1	1	313.358	-1.541	20	0		DAADMM
C[C@@H](C(=O)N(CCO)CCNCc1n[nH]c(=O)[n-]1)n1cccn1	ZINC001272116103	775637329	/nfs/dbraw/zinc/63/73/29/775637329.db2.gz	BMYSNIWHDGCOKS-JTQLQIEISA-N	-1	1	323.357	-1.122	20	0		DAADMM
C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001088828843	775663291	/nfs/dbraw/zinc/66/32/91/775663291.db2.gz	WMSIOQMGJZEXPO-VGMNWLOBSA-N	-1	1	323.357	-2.131	20	0		DAADMM
CNS(=O)(=O)CCC(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001127081889	775676291	/nfs/dbraw/zinc/67/62/91/775676291.db2.gz	FJBMNSDZYNKPLV-UHFFFAOYSA-N	-1	1	306.348	-2.345	20	0		DAADMM
Cc1cccn(CC(=O)NCCNCc2n[nH]c(=O)[n-]2)c1=O	ZINC001127180831	775721723	/nfs/dbraw/zinc/72/17/23/775721723.db2.gz	CMYBVWKZPIQTTO-UHFFFAOYSA-N	-1	1	306.326	-1.114	20	0		DAADMM
CN(CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+](C)C2)C(N)=[NH+]P(=O)([O-])[O-]	ZINC001272724901	775833521	/nfs/dbraw/zinc/83/35/21/775833521.db2.gz	QJGXPJHNYNDTFW-BDAKNGLRSA-N	-1	1	319.302	-1.302	20	0		DAADMM
CC(C)(C)n1nnc(CC(=O)NCCNCc2n[nH]c(=O)[n-]2)n1	ZINC001128044352	775908712	/nfs/dbraw/zinc/90/87/12/775908712.db2.gz	NERTXSSZMRAHQR-UHFFFAOYSA-N	-1	1	323.361	-1.300	20	0		DAADMM
CCOCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001099645934	775934905	/nfs/dbraw/zinc/93/49/05/775934905.db2.gz	ZSRSSILAWVVYIP-ZJUUUORDSA-N	-1	1	313.358	-1.804	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)CC3CC3)[C@H](O)C2)nc1=O	ZINC001090010789	775950521	/nfs/dbraw/zinc/95/05/21/775950521.db2.gz	QRFMMZFXCPVCGW-GHMZBOCLSA-N	-1	1	309.370	-1.040	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)nc1=O	ZINC001090110586	775982606	/nfs/dbraw/zinc/98/26/06/775982606.db2.gz	AEPMVFFEQUFVJP-ZJUUUORDSA-N	-1	1	321.341	-1.803	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3cocn3)[C@H](O)C2)nc1=O	ZINC001090129425	775989286	/nfs/dbraw/zinc/98/92/86/775989286.db2.gz	PHIAEHRMQPVDQG-PSASIEDQSA-N	-1	1	322.325	-1.538	20	0		DAADMM
C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001128633525	776002643	/nfs/dbraw/zinc/00/26/43/776002643.db2.gz	NJTNGWHPWXMAJX-RKDXNWHRSA-N	-1	1	310.358	-1.122	20	0		DAADMM
CNC(=O)CN1CC[C@H](NC(=O)c2ncccc2[O-])[C@H](O)C1	ZINC001090215563	776038107	/nfs/dbraw/zinc/03/81/07/776038107.db2.gz	HABRUZUXSLMNMC-GXSJLCMTSA-N	-1	1	308.338	-1.302	20	0		DAADMM
CNC(=O)CN1CC[C@@H](NC(=O)c2ncccc2[O-])[C@H](O)C1	ZINC001090215565	776038646	/nfs/dbraw/zinc/03/86/46/776038646.db2.gz	HABRUZUXSLMNMC-MWLCHTKSSA-N	-1	1	308.338	-1.302	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)c3nccs3)[C@@H](O)C2)nc1=O	ZINC001083882472	776075410	/nfs/dbraw/zinc/07/54/10/776075410.db2.gz	AJHYBWXDPVCZPP-SFYZADRCSA-N	-1	1	324.366	-1.460	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)c3cc[nH]c3)[C@H](O)C2)nc1=O	ZINC001090279111	776076260	/nfs/dbraw/zinc/07/62/60/776076260.db2.gz	JHXZGCUCZOOHTA-GHMZBOCLSA-N	-1	1	320.353	-1.198	20	0		DAADMM
Cc1cnoc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001083911499	776090799	/nfs/dbraw/zinc/09/07/99/776090799.db2.gz	RGOZTKKQXLQHNO-BDAKNGLRSA-N	-1	1	322.325	-1.620	20	0		DAADMM
O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cnn[nH]1	ZINC001090389055	776132945	/nfs/dbraw/zinc/13/29/45/776132945.db2.gz	USFJRBJGCFIYSA-POYBYMJQSA-N	-1	1	308.302	-2.006	20	0		DAADMM
O=C(CN1CCCC1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001084057551	776160456	/nfs/dbraw/zinc/16/04/56/776160456.db2.gz	PPTQCFZNPNIKDM-ZJUUUORDSA-N	-1	1	310.358	-1.733	20	0		DAADMM
O=C(Cn1ncnn1)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001085199889	776204061	/nfs/dbraw/zinc/20/40/61/776204061.db2.gz	HUANSEBLJBDCDW-RKDXNWHRSA-N	-1	1	321.345	-1.286	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)CCCF)[C@@H](O)C2)nc1=O	ZINC001099952876	776205385	/nfs/dbraw/zinc/20/53/85/776205385.db2.gz	ZYMDCSLUKMMGCV-ZJUUUORDSA-N	-1	1	315.349	-1.091	20	0		DAADMM
Cn1[n-]c(CN2CC[C@@H](NC(=O)CCCF)[C@H](O)C2)nc1=O	ZINC001099952873	776206202	/nfs/dbraw/zinc/20/62/02/776206202.db2.gz	ZYMDCSLUKMMGCV-NXEZZACHSA-N	-1	1	315.349	-1.091	20	0		DAADMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1cn(C)nn1	ZINC001085573252	776215249	/nfs/dbraw/zinc/21/52/49/776215249.db2.gz	RQUNNYHKPPDVPZ-SECBINFHSA-N	-1	1	320.357	-1.417	20	0		DAADMM
Cc1n[nH]nc1C(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001085754021	776221093	/nfs/dbraw/zinc/22/10/93/776221093.db2.gz	WMCGPYCPDFXOHK-VIFPVBQESA-N	-1	1	320.357	-1.119	20	0		DAADMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1CCNC1=O	ZINC001085762754	776222587	/nfs/dbraw/zinc/22/25/87/776222587.db2.gz	OPCFBHKJPURLJH-VHSXEESVSA-N	-1	1	322.369	-1.723	20	0		DAADMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@H]1CNC(=O)N1	ZINC001085793107	776225712	/nfs/dbraw/zinc/22/57/12/776225712.db2.gz	BXFHPBZKENTZAS-RKDXNWHRSA-N	-1	1	323.357	-2.178	20	0		DAADMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1CNC(=O)N1	ZINC001085793104	776226621	/nfs/dbraw/zinc/22/66/21/776226621.db2.gz	BXFHPBZKENTZAS-BDAKNGLRSA-N	-1	1	323.357	-2.178	20	0		DAADMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1cnon1	ZINC001085885806	776231080	/nfs/dbraw/zinc/23/10/80/776231080.db2.gz	LRTTZMIZEXUIIN-MRVPVSSYSA-N	-1	1	307.314	-1.162	20	0		DAADMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1CCC(=O)N1	ZINC001085934088	776231503	/nfs/dbraw/zinc/23/15/03/776231503.db2.gz	RMZLLTYLUFSXED-UWVGGRQHSA-N	-1	1	322.369	-1.580	20	0		DAADMM
CCC(=O)NCC(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001112711631	776362473	/nfs/dbraw/zinc/36/24/73/776362473.db2.gz	KGBTXGXGCJYSFB-UHFFFAOYSA-N	-1	1	310.358	-1.721	20	0		DAADMM
C[C@H](NC(N)=O)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001112796113	776375805	/nfs/dbraw/zinc/37/58/05/776375805.db2.gz	WBUHFFLFVDILPK-QMMMGPOBSA-N	-1	1	311.346	-2.191	20	0		DAADMM
NC(=O)C(=O)N1CCC(N(CCO)Cc2n[nH]c(=O)[n-]2)CC1	ZINC001098465500	776402622	/nfs/dbraw/zinc/40/26/22/776402622.db2.gz	SNEFPPPRYMBYOB-UHFFFAOYSA-N	-1	1	312.330	-2.219	20	0		DAADMM
Cn1[n-]c(CN2CCN(C(=O)CCNC(N)=O)CC2)nc1=O	ZINC001113617314	776415494	/nfs/dbraw/zinc/41/54/94/776415494.db2.gz	JNXKXEHIVQVVGK-UHFFFAOYSA-N	-1	1	311.346	-2.189	20	0		DAADMM
CC(=O)NCC(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001113787391	776424226	/nfs/dbraw/zinc/42/42/26/776424226.db2.gz	LQNLUMHPGIOFIY-GDGBQDQQSA-N	-1	1	308.342	-2.209	20	0		DAADMM
COC[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21	ZINC001114038844	776443603	/nfs/dbraw/zinc/44/36/03/776443603.db2.gz	XHKBKVMLKBWVGI-SVDPJWKOSA-N	-1	1	309.370	-1.063	20	0		DAADMM
NC(=O)c1ccc(CC(=O)NCCNCc2n[nH]c(=O)[n-]2)cn1	ZINC001130253104	776499007	/nfs/dbraw/zinc/49/90/07/776499007.db2.gz	HLKBZSYYWRYOMD-UHFFFAOYSA-N	-1	1	319.325	-1.547	20	0		DAADMM
COc1cncc(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1	ZINC001130865361	776538548	/nfs/dbraw/zinc/53/85/48/776538548.db2.gz	WGAVPABQUBMLLY-UHFFFAOYSA-N	-1	1	321.297	-1.399	20	0		DAADMM
CCn1nncc1CNCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001130862818	776538943	/nfs/dbraw/zinc/53/89/43/776538943.db2.gz	HBOUFOZUQWHZTH-UHFFFAOYSA-N	-1	1	308.302	-1.586	20	0		DAADMM
Cc1nnsc1CNCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001130863820	776540536	/nfs/dbraw/zinc/54/05/36/776540536.db2.gz	VSPUQCBPHQGVEZ-UHFFFAOYSA-N	-1	1	311.327	-1.038	20	0		DAADMM
Cc1nc([C@@H](C)NCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n[nH]1	ZINC001130864552	776541434	/nfs/dbraw/zinc/54/14/34/776541434.db2.gz	CGCUYRBLSOGFRM-RXMQYKEDSA-N	-1	1	308.302	-1.210	20	0		DAADMM
O=C(NCCNCc1n[nH]c(=O)[n-]1)c1ccc2nnnn2c1	ZINC001131278438	776561613	/nfs/dbraw/zinc/56/16/13/776561613.db2.gz	GOBBNPWXQIEJBA-UHFFFAOYSA-N	-1	1	303.286	-1.532	20	0		DAADMM
Cc1nc2n(n1)C[C@H](C(=O)NCCNCc1n[nH]c(=O)[n-]1)CC2	ZINC001131636449	776579322	/nfs/dbraw/zinc/57/93/22/776579322.db2.gz	KQYFDUVGYVHJOV-SECBINFHSA-N	-1	1	320.357	-1.121	20	0		DAADMM
CCC[C@H](C(=O)NCCNCc1n[nH]c(=O)[n-]1)S(N)(=O)=O	ZINC001131777760	776589970	/nfs/dbraw/zinc/58/99/70/776589970.db2.gz	UJTYZCOOCFNQFR-SSDOTTSWSA-N	-1	1	320.375	-1.827	20	0		DAADMM
CO[C@H](C(=O)NCCNCc1n[nH]c(=O)[n-]1)c1cnn(C)c1	ZINC001131878029	776598485	/nfs/dbraw/zinc/59/84/85/776598485.db2.gz	TYBDDENJKQWYOS-JTQLQIEISA-N	-1	1	309.330	-1.163	20	0		DAADMM
NC(=O)Cc1occc1C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001132949511	776647068	/nfs/dbraw/zinc/64/70/68/776647068.db2.gz	AQZJCCQOOZXWQV-UHFFFAOYSA-N	-1	1	308.298	-1.349	20	0		DAADMM
C[C@@H](C[C@H](C)NC(=O)CS(C)(=O)=O)NCc1n[nH]c(=O)[n-]1	ZINC001133836163	776679759	/nfs/dbraw/zinc/67/97/59/776679759.db2.gz	PNUQNPFZJPJPQB-YUMQZZPRSA-N	-1	1	319.387	-1.072	20	0		DAADMM
Cn1nncc1CNCCNC(=O)c1c[n-]n2c1nccc2=O	ZINC001134939278	776728879	/nfs/dbraw/zinc/72/88/79/776728879.db2.gz	VATVQJRJDWLDRV-UHFFFAOYSA-N	-1	1	316.325	-1.329	20	0		DAADMM
Cc1nc(CNCCNC(=O)c2c[n-]n3c2nccc3=O)n[nH]1	ZINC001134942095	776730960	/nfs/dbraw/zinc/73/09/60/776730960.db2.gz	YWWZDJVKCGYURM-UHFFFAOYSA-N	-1	1	316.325	-1.031	20	0		DAADMM
Cc1nnc(CNCCNC(=O)CCn2cc[n-]c(=O)c2=O)o1	ZINC001135386672	776754393	/nfs/dbraw/zinc/75/43/93/776754393.db2.gz	CJIVQEJKCCMLAX-UHFFFAOYSA-N	-1	1	322.325	-1.476	20	0		DAADMM
Cc1noc(CNCCNC(=O)CCn2cc[n-]c(=O)c2=O)n1	ZINC001135387566	776754718	/nfs/dbraw/zinc/75/47/18/776754718.db2.gz	SZNKOHBGVRDVJK-UHFFFAOYSA-N	-1	1	322.325	-1.476	20	0		DAADMM
CCS(=O)(=O)N(C)CC(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001136130211	776781215	/nfs/dbraw/zinc/78/12/15/776781215.db2.gz	VMTMFEBKDGHHQE-UHFFFAOYSA-N	-1	1	320.375	-2.002	20	0		DAADMM
Cn1[n-]c(CN2CC[C@H](NC(=O)c3cnon3)[C@H](O)C2)nc1=O	ZINC001090663188	776814744	/nfs/dbraw/zinc/81/47/44/776814744.db2.gz	JSUHMOGLYQCIOH-IONNQARKSA-N	-1	1	323.313	-2.143	20	0		DAADMM
O=C(N[C@@H]1CCN(CCF)C[C@H]1O)c1cc(=O)n2[n-]cnc2n1	ZINC001090724096	776833269	/nfs/dbraw/zinc/83/32/69/776833269.db2.gz	FMYUPYRPJDGAQO-PSASIEDQSA-N	-1	1	324.316	-1.448	20	0		DAADMM
O=C(N[C@H]1CCN(CCF)C[C@@H]1O)c1cc(=O)n2[n-]cnc2n1	ZINC001090724099	776834555	/nfs/dbraw/zinc/83/45/55/776834555.db2.gz	FMYUPYRPJDGAQO-WPRPVWTQSA-N	-1	1	324.316	-1.448	20	0		DAADMM
O=C(CN1CCCC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001090819138	776856038	/nfs/dbraw/zinc/85/60/38/776856038.db2.gz	ZQFVLNFEGFWMPG-MNOVXSKESA-N	-1	1	324.385	-1.343	20	0		DAADMM
COCCN(CCNC(=O)c1ncccc1[O-])C(=O)CC(N)=O	ZINC001288244575	777896708	/nfs/dbraw/zinc/89/67/08/777896708.db2.gz	LROZBWWSDBHNGU-UHFFFAOYSA-N	-1	1	324.337	-1.133	20	0		DAADMM
Cn1cnn(CC(=O)NCCNC(=O)c2ncccc2[O-])c1=O	ZINC001292665936	777940891	/nfs/dbraw/zinc/94/08/91/777940891.db2.gz	DKKLFEPTPKZHHG-UHFFFAOYSA-N	-1	1	320.309	-1.771	20	0		DAADMM
O=C(CN1CCCCC(=O)C1=O)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001292975410	777956674	/nfs/dbraw/zinc/95/66/74/777956674.db2.gz	BAYYGMMDRDYZLX-JTQLQIEISA-N	-1	1	322.325	-1.319	20	0		DAADMM
Cn1ccc(=O)n(CCCNC(=O)CCCc2nn[n-]n2)c1=O	ZINC001297380490	778046526	/nfs/dbraw/zinc/04/65/26/778046526.db2.gz	HWCNESFGBFQRQX-UHFFFAOYSA-N	-1	1	321.341	-1.411	20	0		DAADMM
Cn1cnnc1[C@@H](CO)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001301182712	778095052	/nfs/dbraw/zinc/09/50/52/778095052.db2.gz	MBZDTWDOEOENQT-MRVPVSSYSA-N	-1	1	308.298	-2.095	20	0		DAADMM
COC[C@H](NC(=O)CN1CCCCC(=O)C1=O)c1nn[n-]n1	ZINC001303579725	778097656	/nfs/dbraw/zinc/09/76/56/778097656.db2.gz	CTRRHVISPNARLT-QMMMGPOBSA-N	-1	1	310.314	-1.415	20	0		DAADMM
CC(C)CN(Cc1nn[n-]n1)C(=O)CN1C(=O)C(=O)N(C)C1=O	ZINC001303202231	778097752	/nfs/dbraw/zinc/09/77/52/778097752.db2.gz	WDDICIZQKNTWDG-UHFFFAOYSA-N	-1	1	323.313	-1.395	20	0		DAADMM
CN(CC(=O)NN1CC(=O)[N-]C1=O)[C@H]1CCS(=O)(=O)C1	ZINC001306327721	778100850	/nfs/dbraw/zinc/10/08/50/778100850.db2.gz	IQYNNLHQRXZALR-ZETCQYMHSA-N	-1	1	304.328	-2.312	20	0		DAADMM
O=C([O-])[C@]1(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)CNCCO1	ZINC001121966371	779553432	/nfs/dbraw/zinc/55/34/32/779553432.db2.gz	QDSIROYMYMYUOP-VHSXEESVSA-N	-1	1	312.244	-1.045	20	0		DAADMM
CCO[N-]C(=O)CNC(=O)N[C@H](C)[C@H]1CN(C)CCN1C	ZINC001123566884	779584712	/nfs/dbraw/zinc/58/47/12/779584712.db2.gz	HIDZYAGTJDBKQS-GHMZBOCLSA-N	-1	1	301.391	-1.012	20	0		DAADMM
CN1CCC[C@@H](C(=O)N2CCC(O)(c3nn[n-]n3)CC2)C1=O	ZINC001138990866	779611902	/nfs/dbraw/zinc/61/19/02/779611902.db2.gz	CWACASDUMHBMBD-SECBINFHSA-N	-1	1	308.342	-1.122	20	0		DAADMM
CCS(=O)(=O)CCCNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001142233137	779620749	/nfs/dbraw/zinc/62/07/49/779620749.db2.gz	CXFAOTAXAFEGKB-UHFFFAOYSA-N	-1	1	317.367	-1.132	20	0		DAADMM
CC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21	ZINC001143038237	779625340	/nfs/dbraw/zinc/62/53/40/779625340.db2.gz	PKFZSEUVXPNYIG-RITPCOANSA-N	-1	1	322.281	-1.364	20	0		DAADMM
CC(=O)N1CCO[C@@H](C(=O)NCCNCc2n[nH]c(=O)[n-]2)C1	ZINC001149531127	779634168	/nfs/dbraw/zinc/63/41/68/779634168.db2.gz	SRQYFHIEMSLVCZ-SECBINFHSA-N	-1	1	312.330	-2.037	20	0		DAADMM
Cn1[n-]c(CN2CCCO[C@H](CNC(=O)C(N)=O)C2)nc1=O	ZINC001150211844	779649888	/nfs/dbraw/zinc/64/98/88/779649888.db2.gz	LQJBWWNNVQGTAH-MRVPVSSYSA-N	-1	1	312.330	-2.699	20	0		DAADMM
CC(=O)N1CCOC[C@@H]1C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001151586673	779680736	/nfs/dbraw/zinc/68/07/36/779680736.db2.gz	JWZFVRKKAFPXCQ-SECBINFHSA-N	-1	1	312.330	-2.037	20	0		DAADMM
CN(C)S(=O)(=O)CCC(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001152084482	779687098	/nfs/dbraw/zinc/68/70/98/779687098.db2.gz	PHPIURUDELGCHU-UHFFFAOYSA-N	-1	1	320.375	-2.002	20	0		DAADMM
COc1ncnc(OC)c1C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001153591753	779707721	/nfs/dbraw/zinc/70/77/21/779707721.db2.gz	ZJYNLEUFTBOEQB-UHFFFAOYSA-N	-1	1	323.313	-1.163	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N1CCS(=O)(=O)CCO1	ZINC001159741878	779795472	/nfs/dbraw/zinc/79/54/72/779795472.db2.gz	VQRAAXIOPWLQIS-UHFFFAOYSA-N	-1	1	317.323	-1.885	20	0		DAADMM
N[C@@H](Cc1nnn[n-]1)C(=O)N1CCN(C2CCOCC2)C(=O)C1	ZINC001160637701	779814185	/nfs/dbraw/zinc/81/41/85/779814185.db2.gz	WBTUQXXUWCQQSC-JTQLQIEISA-N	-1	1	323.357	-2.081	20	0		DAADMM
CN1CC(=O)Nc2cnc(Nc3c(O)[nH]c(=O)[n-]c3=S)nc21	ZINC001160854601	779822113	/nfs/dbraw/zinc/82/21/13/779822113.db2.gz	XGZQHUXLKYEIKX-ZCFIWIBFSA-N	-1	1	321.322	-1.188	20	0		DAADMM
CCn1ncc(CNCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1	ZINC001161864062	779846674	/nfs/dbraw/zinc/84/66/74/779846674.db2.gz	WCRSJWPHKKPILV-UHFFFAOYSA-N	-1	1	322.329	-1.196	20	0		DAADMM
Cn1nnnc1CNCCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001161872542	779846751	/nfs/dbraw/zinc/84/67/51/779846751.db2.gz	HIBLXWMAMOZYOB-UHFFFAOYSA-N	-1	1	309.290	-2.284	20	0		DAADMM
C[C@H](NCCCNC(=O)c1n[nH]c(=O)[n-]c1=O)c1nnnn1C	ZINC001161863263	779847089	/nfs/dbraw/zinc/84/70/89/779847089.db2.gz	GXBMOCRXQKBEEY-LURJTMIESA-N	-1	1	323.317	-1.723	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C	ZINC001205864669	779904948	/nfs/dbraw/zinc/90/49/48/779904948.db2.gz	FMASKRBCOOCJBO-WCABBAIRSA-N	-1	1	324.385	-1.431	20	0		DAADMM
CCC(=O)NCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C	ZINC001206619707	779909243	/nfs/dbraw/zinc/90/92/43/779909243.db2.gz	DZMGDVZDQLCJSC-NXEZZACHSA-N	-1	1	324.385	-1.429	20	0		DAADMM
C[C@H](NC(N)=O)C(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001207908802	779929384	/nfs/dbraw/zinc/92/93/84/779929384.db2.gz	GIMPOUNGNDWKQJ-YUMQZZPRSA-N	-1	1	311.346	-1.352	20	0		DAADMM
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C1(C(N)=O)CC1	ZINC001208461112	779941480	/nfs/dbraw/zinc/94/14/80/779941480.db2.gz	CKAWSPOPVQVSNO-RKDXNWHRSA-N	-1	1	322.369	-1.690	20	0		DAADMM
CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001214097860	779990032	/nfs/dbraw/zinc/99/00/32/779990032.db2.gz	JEYZXSVPTVLSLI-NQMVMOMDSA-N	-1	1	310.358	-1.029	20	0		DAADMM
CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001214097859	779990067	/nfs/dbraw/zinc/99/00/67/779990067.db2.gz	JEYZXSVPTVLSLI-KHQFGBGNSA-N	-1	1	310.358	-1.029	20	0		DAADMM
CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001214482219	779995260	/nfs/dbraw/zinc/99/52/60/779995260.db2.gz	LQXNTPJVSQTZFD-RKDXNWHRSA-N	-1	1	310.358	-1.027	20	0		DAADMM
C[C@H](NC(N)=O)C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001214509496	779997001	/nfs/dbraw/zinc/99/70/01/779997001.db2.gz	MRZFOWDHJCHYLJ-GJMOJQLCSA-N	-1	1	311.346	-1.496	20	0		DAADMM
C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1NCc1n[nH]c(=O)[n-]1	ZINC001215829439	780010913	/nfs/dbraw/zinc/01/09/13/780010913.db2.gz	MXKSKSGDSMHLDG-RKDXNWHRSA-N	-1	1	310.358	-1.075	20	0		DAADMM
CC(C)OCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001219311041	780079680	/nfs/dbraw/zinc/07/96/80/780079680.db2.gz	NXQRYEOOKXSNGI-ZJUUUORDSA-N	-1	1	313.358	-1.805	20	0		DAADMM
CC[C@@H](OC)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001219325816	780079846	/nfs/dbraw/zinc/07/98/46/780079846.db2.gz	FJYRLUKLGSVZNX-KXUCPTDWSA-N	-1	1	313.358	-1.805	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H](NC(=O)/C=C\C3CC3)[C@@H](O)C2)nc1=O	ZINC001219428397	780097088	/nfs/dbraw/zinc/09/70/88/780097088.db2.gz	MMEMBZOXNWGNJM-KWKBKKAHSA-N	-1	1	307.354	-1.264	20	0		DAADMM
O=C(N[C@@H]1CN(CCOCCO)C[C@@H]1O)c1ncccc1[O-]	ZINC001219497486	780105243	/nfs/dbraw/zinc/10/52/43/780105243.db2.gz	QHDGVNQRSJOSAA-PWSUYJOCSA-N	-1	1	311.338	-1.429	20	0		DAADMM
Nc1nc(=O)c2ccccc2n1C(=O)[C@@H](N)Cc1nn[n-]n1	ZINC001219718097	780137469	/nfs/dbraw/zinc/13/74/69/780137469.db2.gz	GESLXJUPRYTHAI-ZETCQYMHSA-N	-1	1	300.282	-1.055	20	0		DAADMM
N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H]1CO[N-]C1=O	ZINC001220028613	780172354	/nfs/dbraw/zinc/17/23/54/780172354.db2.gz	YWKPQBDIARPMLE-WDEREUQCSA-N	-1	1	306.322	-1.781	20	0		DAADMM
CC[C@H](F)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O	ZINC001220145205	780184247	/nfs/dbraw/zinc/18/42/47/780184247.db2.gz	WFTGTRXBULBFKL-YIZRAAEISA-N	-1	1	301.322	-1.482	20	0		DAADMM
N[C@@H](Cc1nnn[n-]1)C(=O)NC1CC2(C1)CS(=O)(=O)C2	ZINC001220143587	780184323	/nfs/dbraw/zinc/18/43/23/780184323.db2.gz	NYRHVUBYOSVDBA-ZETCQYMHSA-N	-1	1	300.344	-2.237	20	0		DAADMM
N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCS(=O)(=O)[O-]	ZINC001220240853	780194291	/nfs/dbraw/zinc/19/42/91/780194291.db2.gz	QCXDHOCFBDAYGM-JTQLQIEISA-N	-1	1	315.351	-1.366	20	0		DAADMM
O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN(CCF)C[C@@H]1O	ZINC001220559811	780226514	/nfs/dbraw/zinc/22/65/14/780226514.db2.gz	FGOQABAJBQVENJ-ZJUUUORDSA-N	-1	1	314.317	-1.943	20	0		DAADMM
O=S(=O)([O-])C[C@@H](CN1CCOCC1)OCc1nn[nH]n1	ZINC001223030353	780314384	/nfs/dbraw/zinc/31/43/84/780314384.db2.gz	WGTQIURTAVTMAC-MRVPVSSYSA-N	-1	1	307.332	-1.695	20	0		DAADMM
O=S(=O)([O-])C[C@H](C[n+]1ccccc1)OCc1nn[n-]n1	ZINC001223027691	780314667	/nfs/dbraw/zinc/31/46/67/780314667.db2.gz	RJGFSVQAJKRRJD-VIFPVBQESA-O	-1	1	300.320	-1.040	20	0		DAADMM
CNC(=O)CN1CC[C@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001276940132	780319560	/nfs/dbraw/zinc/31/95/60/780319560.db2.gz	KONXHKKPVMEBEK-JTQLQIEISA-N	-1	1	323.353	-2.137	20	0		DAADMM
C[C@@H]1C[C@@H]1CN1C[C@@H]2C(C(=O)N=c3nn[n-]n3C)=NO[C@@H]2C1	ZINC001277133959	780334356	/nfs/dbraw/zinc/33/43/56/780334356.db2.gz	KWEGXQRFAPWOQA-DOLQZWNJSA-N	-1	1	305.342	-1.087	20	0		DAADMM
O=c1nc(O[C@H]2CO[C@@H]3[C@H](O[N+](=O)[O-])CO[C@H]23)[n-]c(=O)[nH]1	ZINC001227569324	780342852	/nfs/dbraw/zinc/34/28/52/780342852.db2.gz	ZJPFWVSANKMSFC-SLPGGIOYSA-N	-1	1	302.199	-1.595	20	0		DAADMM
Cn1[n-]c(CN2CCC(NC(=O)C(C)(C)C(N)=O)CC2)nc1=O	ZINC001227909000	780343981	/nfs/dbraw/zinc/34/39/81/780343981.db2.gz	WCIUECZYZUTAJH-UHFFFAOYSA-N	-1	1	324.385	-1.300	20	0		DAADMM
COC(=O)c1n[n-]c(O[C@H]2CO[C@@H]3[C@H](O[N+](=O)[O-])CO[C@H]23)n1	ZINC001228308390	780347006	/nfs/dbraw/zinc/34/70/06/780347006.db2.gz	FUZXWYCMBUEDTP-BDVNFPICSA-N	-1	1	316.226	-1.287	20	0		DAADMM
COC(=O)c1nc(O[C@H]2CO[C@@H]3[C@H](O[N+](=O)[O-])CO[C@H]23)n[n-]1	ZINC001228308390	780347014	/nfs/dbraw/zinc/34/70/14/780347014.db2.gz	FUZXWYCMBUEDTP-BDVNFPICSA-N	-1	1	316.226	-1.287	20	0		DAADMM
CCC(=O)NCC(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1	ZINC001231225953	780378690	/nfs/dbraw/zinc/37/86/90/780378690.db2.gz	KUNRXZHHSMJTSP-SNVBAGLBSA-N	-1	1	324.385	-1.333	20	0		DAADMM
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)Cn1ncnn1	ZINC001234378350	780407672	/nfs/dbraw/zinc/40/76/72/780407672.db2.gz	QHVZVTHICDBCOX-SECBINFHSA-N	-1	1	321.345	-2.172	20	0		DAADMM
COC(=O)CN1C[C@H](Oc2c(=O)[n-]cnc2C(N)=O)CC1=O	ZINC001234467293	780409406	/nfs/dbraw/zinc/40/94/06/780409406.db2.gz	MOJDDIRAJHLKRP-ZCFIWIBFSA-N	-1	1	310.266	-1.566	20	0		DAADMM
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)Cn1nccn1	ZINC001234574260	780409980	/nfs/dbraw/zinc/40/99/80/780409980.db2.gz	QSVKQJIOVBIXQF-JTQLQIEISA-N	-1	1	320.357	-1.567	20	0		DAADMM
Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(Cc1cnc[nH]1)C2	ZINC001278348144	780444416	/nfs/dbraw/zinc/44/44/16/780444416.db2.gz	TUSSZKWRSAILRS-UHFFFAOYSA-N	-1	1	314.313	-1.154	20	0		DAADMM
CN(C)C(=O)c1nc(C[N-]S(=O)(=O)c2cnn(C)c2)no1	ZINC001259829337	780526782	/nfs/dbraw/zinc/52/67/82/780526782.db2.gz	XJSNRGYHSILGLA-UHFFFAOYSA-N	-1	1	314.327	-1.017	20	0		DAADMM
Cn1ccc(NC(=O)CNC(=O)CCn2cc[n-]c(=O)c2=O)n1	ZINC001261739124	780556904	/nfs/dbraw/zinc/55/69/04/780556904.db2.gz	LDULJEFZGGCDIA-UHFFFAOYSA-N	-1	1	320.309	-1.585	20	0		DAADMM
O=C(/C=C/CN1CCOCC1)N1CCOC[C@H]1c1nn[n-]n1	ZINC001262185653	780568435	/nfs/dbraw/zinc/56/84/35/780568435.db2.gz	XAIFBLNJKHTSKJ-GXFZAYBSSA-N	-1	1	308.342	-1.012	20	0		DAADMM
C[C@@H]1[C@@H](NC(=O)C2(C(N)=O)CC2)CCN1Cc1nc(=O)n(C)[n-]1	ZINC001264718069	780587794	/nfs/dbraw/zinc/58/77/94/780587794.db2.gz	WYBLOSYISWDYNU-BDAKNGLRSA-N	-1	1	322.369	-1.547	20	0		DAADMM
CN1CC[C@@H](C(=O)NC[C@H](NCc2n[nH]c(=O)[n-]2)C2CC2)C1=O	ZINC001265368604	780600873	/nfs/dbraw/zinc/60/08/73/780600873.db2.gz	UORBJERPMDKIFD-UWVGGRQHSA-N	-1	1	322.369	-1.027	20	0		DAADMM
CN1CC[C@H](C(=O)NC[C@H](NCc2n[nH]c(=O)[n-]2)C2CC2)C1=O	ZINC001265368606	780601274	/nfs/dbraw/zinc/60/12/74/780601274.db2.gz	UORBJERPMDKIFD-ZJUUUORDSA-N	-1	1	322.369	-1.027	20	0		DAADMM
O=C(Cn1ncnn1)NCCCN(Cc1n[nH]c(=O)[n-]1)C1CC1	ZINC001266138604	780618842	/nfs/dbraw/zinc/61/88/42/780618842.db2.gz	MPQJGIMYJQGCES-UHFFFAOYSA-N	-1	1	321.345	-1.332	20	0		DAADMM
O=C([C@@H]1CNC(=O)N1)N1CC[C@H](CCNCc2n[nH]c(=O)[n-]2)C1	ZINC001280174633	780630926	/nfs/dbraw/zinc/63/09/26/780630926.db2.gz	YVRZISHQOSATHV-IUCAKERBSA-N	-1	1	323.357	-1.480	20	0		DAADMM
O=C([C@@H]1CNC(=O)N1)N1CC[C@@H](CCNCc2n[nH]c(=O)[n-]2)C1	ZINC001280174629	780631102	/nfs/dbraw/zinc/63/11/02/780631102.db2.gz	YVRZISHQOSATHV-BDAKNGLRSA-N	-1	1	323.357	-1.480	20	0		DAADMM
CC(=O)NCC1CC(NC(=O)CCn2cc[n-]c(=O)c2=O)C1	ZINC001280059912	780631226	/nfs/dbraw/zinc/63/12/26/780631226.db2.gz	NXIYVZBULXGDIY-UHFFFAOYSA-N	-1	1	308.338	-1.042	20	0		DAADMM
C[C@H](CNC(=O)[C@@H]1CCCNC1=O)N(C)Cc1nc(=O)n(C)[n-]1	ZINC001282401808	780705766	/nfs/dbraw/zinc/70/57/66/780705766.db2.gz	JLMJLWNVHFKDDT-NXEZZACHSA-N	-1	1	324.385	-1.429	20	0		DAADMM
CN(CCOCCNC(=O)c1ccn[nH]1)Cc1nc(=O)n(C)[n-]1	ZINC001283358443	780757331	/nfs/dbraw/zinc/75/73/31/780757331.db2.gz	BVVNFFDHPWXCFF-UHFFFAOYSA-N	-1	1	323.357	-1.290	20	0		DAADMM
CN(CCNC(=O)C1CC1)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC001284490102	780822247	/nfs/dbraw/zinc/82/22/47/780822247.db2.gz	DFQZKRSGCXXKHB-UHFFFAOYSA-N	-1	1	308.338	-1.089	20	0		DAADMM
NC(=O)C(=O)NCC1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1	ZINC001284989803	780853218	/nfs/dbraw/zinc/85/32/18/780853218.db2.gz	QUYUKDIOJPHGJP-UHFFFAOYSA-N	-1	1	319.321	-1.267	20	0		DAADMM
O=C(Cn1cnnn1)NC/C=C\CNC(=O)c1ncccc1[O-]	ZINC001285469235	780873582	/nfs/dbraw/zinc/87/35/82/780873582.db2.gz	FDPAKKZRAUYJJS-UPHRSURJSA-N	-1	1	317.309	-1.124	20	0		DAADMM
CCC(=O)NC[C@H](CO)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC001287732854	780921887	/nfs/dbraw/zinc/92/18/87/780921887.db2.gz	VPVYJYXKBIDCGU-SECBINFHSA-N	-1	1	312.326	-2.070	20	0		DAADMM
CN(C)C(=O)CC(=O)N[C@@H](CO)CNC(=O)c1ncccc1[O-]	ZINC001287765558	780925118	/nfs/dbraw/zinc/92/51/18/780925118.db2.gz	MVWCZFDESHURMZ-SECBINFHSA-N	-1	1	324.337	-1.528	20	0		DAADMM
CC1(C)[C@H](C(=O)NCc2nn[n-]n2)N2C(=O)C[C@H]2S1(=O)=O	ZINC001146263015	781413438	/nfs/dbraw/zinc/41/34/38/781413438.db2.gz	OJTKJTMJCJXYQU-SFYZADRCSA-N	-1	1	314.327	-2.050	20	0		DAADMM
Cc1noc(CNCCNC(=O)c2cc(=O)n3[n-]cnc3n2)n1	ZINC001147705904	781454539	/nfs/dbraw/zinc/45/45/39/781454539.db2.gz	OXVNSQPZGHZOJB-UHFFFAOYSA-N	-1	1	318.297	-1.371	20	0		DAADMM
Cn1ncnc1CNCCNC(=O)c1cc(=O)n2[n-]cnc2n1	ZINC001147712335	781455119	/nfs/dbraw/zinc/45/51/19/781455119.db2.gz	PBAUEKAUNCMOSJ-UHFFFAOYSA-N	-1	1	317.313	-1.934	20	0		DAADMM
Cn1cc(CNCCNC(=O)c2cc(=O)n3[n-]cnc3n2)nn1	ZINC001147712712	781455260	/nfs/dbraw/zinc/45/52/60/781455260.db2.gz	WMTFUQLLYGKZBP-UHFFFAOYSA-N	-1	1	317.313	-1.934	20	0		DAADMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCNCc1nnn(C)n1	ZINC001147700094	781455814	/nfs/dbraw/zinc/45/58/14/781455814.db2.gz	UIWUYBBUJBHMSM-UHFFFAOYSA-N	-1	1	324.301	-2.061	20	0		DAADMM
O=C(NCCNCc1csnn1)c1cc(=O)n2[n-]cnc2n1	ZINC001147711941	781456224	/nfs/dbraw/zinc/45/62/24/781456224.db2.gz	GHGDNCJFCMLSGF-UHFFFAOYSA-N	-1	1	320.338	-1.211	20	0		DAADMM
NC(=O)c1nccnc1C(=O)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21	ZINC001147759566	781457120	/nfs/dbraw/zinc/45/71/20/781457120.db2.gz	HRSMSEHKJFRBOI-UHFFFAOYSA-N	-1	1	316.237	-1.143	20	0		DAADMM
CC(C)(C)[C@H](NC(N)=O)C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001147786525	781457486	/nfs/dbraw/zinc/45/74/86/781457486.db2.gz	GYUZFHZTENSYRM-MRVPVSSYSA-N	-1	1	313.362	-1.201	20	0		DAADMM
Cn1[n-]c(CN2C[C@@H]3CN(C(=O)C(N)=O)C[C@]3(C)C2)nc1=O	ZINC001091968119	781489619	/nfs/dbraw/zinc/48/96/19/781489619.db2.gz	JDHCKQSXUZGGJS-OQPBUACISA-N	-1	1	308.342	-2.126	20	0		DAADMM
C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1	ZINC001092508040	781500646	/nfs/dbraw/zinc/50/06/46/781500646.db2.gz	REHZVPAGEJXISE-OPRDCNLKSA-N	-1	1	322.369	-1.027	20	0		DAADMM
C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@H]1CNC(=O)N1	ZINC001092928302	781505653	/nfs/dbraw/zinc/50/56/53/781505653.db2.gz	JPVMINMICSVXNG-IWSPIJDZSA-N	-1	1	323.357	-1.624	20	0		DAADMM
C[C@H]1[C@H](NC2C[C@@H]3COC[C@H](C2)N3C)C(=O)N1S(=O)(=O)[O-]	ZINC001172124479	781589190	/nfs/dbraw/zinc/58/91/90/781589190.db2.gz	IWGJVOKBYWQMGM-GNOVLFSBSA-N	-1	1	319.383	-1.160	20	0		DAADMM
CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1SC(=O)[N-]C1=O	ZINC001176380386	781617770	/nfs/dbraw/zinc/61/77/70/781617770.db2.gz	QQMZAHFXMNCBHI-GMSGAONNSA-N	-1	1	311.323	-1.118	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1CCCC[C@@H]1C(=O)N1CCOCC1	ZINC001176841122	781623153	/nfs/dbraw/zinc/62/31/53/781623153.db2.gz	RRJWYNBYUAXATI-SNVBAGLBSA-N	-1	1	308.342	-1.018	20	0		DAADMM
O=C(Cc1nn[n-]n1)Nc1cnn(CCN2CCOCC2)c1	ZINC001176837866	781623259	/nfs/dbraw/zinc/62/32/59/781623259.db2.gz	KYWCBPWYRZPJNO-UHFFFAOYSA-N	-1	1	306.330	-1.090	20	0		DAADMM
CC(=O)NCc1nnc2n1CCN(C(=O)Cc1nn[n-]n1)C2	ZINC001176840533	781623287	/nfs/dbraw/zinc/62/32/87/781623287.db2.gz	LFEDVOQBIUASPG-UHFFFAOYSA-N	-1	1	305.302	-1.988	20	0		DAADMM
COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)Cc1nn[n-]n1	ZINC001176840817	781623778	/nfs/dbraw/zinc/62/37/78/781623778.db2.gz	NYAUKUNFHMQQFY-XNCJUZBTSA-N	-1	1	315.311	-1.642	20	0		DAADMM
CS(=O)(=O)CCCN1CCN(C(=O)Cc2nn[n-]n2)CC1	ZINC001176840485	781623909	/nfs/dbraw/zinc/62/39/09/781623909.db2.gz	KQSBJSYFVYHNMC-UHFFFAOYSA-N	-1	1	316.387	-1.679	20	0		DAADMM
O=C(Cc1nn[n-]n1)N1[C@@H]2CC[C@H]1CC1(C2)NC(=O)NC1=O	ZINC001176842873	781624180	/nfs/dbraw/zinc/62/41/80/781624180.db2.gz	UFTNXEMDAKCVBU-KUCMFXTFSA-N	-1	1	305.298	-1.526	20	0		DAADMM
COCCC1(NC(=O)Cc2nn[n-]n2)CCS(=O)(=O)CC1	ZINC001176847246	781624535	/nfs/dbraw/zinc/62/45/35/781624535.db2.gz	NJNPXHOWJMLBGD-UHFFFAOYSA-N	-1	1	317.371	-1.158	20	0		DAADMM
C[C@@H]1O[C@@H](OCCNC(=O)Cc2nn[n-]n2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC001176849127	781624889	/nfs/dbraw/zinc/62/48/89/781624889.db2.gz	LGNGDSDBMMYROY-PMIHUYOWSA-N	-1	1	317.302	-3.298	20	0		DAADMM
C[C@H](NC(N)=O)C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001178563482	781649207	/nfs/dbraw/zinc/64/92/07/781649207.db2.gz	LFNYMLFBLOFSCQ-FXQIFTODSA-N	-1	1	311.346	-1.354	20	0		DAADMM
CC(=O)N1CCN(CC(=O)Nc2c(N)[nH]c(=O)[n-]c2=O)CC1	ZINC001179027519	781655738	/nfs/dbraw/zinc/65/57/38/781655738.db2.gz	JFQOOLRLZFBCNT-UHFFFAOYSA-N	-1	1	310.314	-1.427	20	0		DAADMM
CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1	ZINC001110238954	781675604	/nfs/dbraw/zinc/67/56/04/781675604.db2.gz	IOYHRXLJMRVXKJ-MXWKQRLJSA-N	-1	1	322.369	-1.534	20	0		DAADMM
COCCN1C[C@H](C(=O)Nc2c(N)[nH]c(=O)[n-]c2=O)CC1=O	ZINC001180888479	781679646	/nfs/dbraw/zinc/67/96/46/781679646.db2.gz	PWUBHBWBMGOWNL-ZCFIWIBFSA-N	-1	1	311.298	-1.097	20	0		DAADMM
CN1C(=O)C[C@@H](C(=O)Nc2[n-]c(=O)nc3nc[nH]c32)NC1=O	ZINC001181136409	781684133	/nfs/dbraw/zinc/68/41/33/781684133.db2.gz	UTGLSGQHYFPVIR-BYPYZUCNSA-N	-1	1	305.254	-1.063	20	0		DAADMM
O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)C1(O)CC1	ZINC001181529598	781689883	/nfs/dbraw/zinc/68/98/83/781689883.db2.gz	DUGFOTACVUEWMD-VIFPVBQESA-N	-1	1	310.310	-1.447	20	0		DAADMM
Cn1cc(N2C[C@H](C(=O)NN3CC(=O)[N-]C3=O)CCC2=O)cn1	ZINC001182302767	781703488	/nfs/dbraw/zinc/70/34/88/781703488.db2.gz	JPHFAJWRBFKNTE-MRVPVSSYSA-N	-1	1	320.309	-1.254	20	0		DAADMM
CCS(=O)(=O)N1CCC(C(=O)NN2CC(=O)[N-]C2=O)CC1	ZINC001182303125	781703864	/nfs/dbraw/zinc/70/38/64/781703864.db2.gz	NFNREQIBKCCPAB-UHFFFAOYSA-N	-1	1	318.355	-1.369	20	0		DAADMM
O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)[C@H]1C[C@H](O)C1	ZINC001182648090	781710163	/nfs/dbraw/zinc/71/01/63/781710163.db2.gz	XKDUWGSJNGZVOJ-LSJOCFKGSA-N	-1	1	324.337	-1.201	20	0		DAADMM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H]1CN(C)CCN1C	ZINC001185262108	781756841	/nfs/dbraw/zinc/75/68/41/781756841.db2.gz	JTESGCMFKZTHCZ-VHSXEESVSA-N	-1	1	301.343	-1.245	20	0		DAADMM
C[C@H]1[C@H](NC(=O)[C@@H]2CN(C)CCN2C)C(=O)N1S(=O)(=O)[O-]	ZINC001185261055	781757794	/nfs/dbraw/zinc/75/77/94/781757794.db2.gz	AELXMCZDRQKFDB-CIUDSAMLSA-N	-1	1	320.371	-2.250	20	0		DAADMM
Nc1nc2c(ncn2CC(=O)NCc2nn[n-]n2)c(Cl)n1	ZINC001185905167	781768700	/nfs/dbraw/zinc/76/87/00/781768700.db2.gz	JLEFRDTVGHVIEF-UHFFFAOYSA-N	-1	1	308.693	-1.109	20	0		DAADMM
O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)CNC(=O)[C@@H]1CCC(=O)N1	ZINC001187512105	781799235	/nfs/dbraw/zinc/79/92/35/781799235.db2.gz	ZWIDVTTZHOJBHT-BYPYZUCNSA-N	-1	1	324.253	-1.381	20	0		DAADMM
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)CNC(N)=O)C1	ZINC001188828492	781828564	/nfs/dbraw/zinc/82/85/64/781828564.db2.gz	MBMXIZNUMPHKTJ-QMMMGPOBSA-N	-1	1	311.346	-2.191	20	0		DAADMM
NC(=O)C([N-]S(=O)(=O)Cc1ccc(F)c(F)c1)C(N)=O	ZINC001189329047	781837567	/nfs/dbraw/zinc/83/75/67/781837567.db2.gz	DVXXOYFRJLRFOH-UHFFFAOYSA-N	-1	1	307.278	-1.277	20	0		DAADMM
Cn1c(=O)cc(C(=O)Nc2[nH]c(=O)[n-]c(=O)c2N=O)n(C)c1=O	ZINC001189422450	781839868	/nfs/dbraw/zinc/83/98/68/781839868.db2.gz	OMSKEZMXNQLJLM-UHFFFAOYSA-N	-1	1	322.237	-1.065	20	0		DAADMM
Cn1c(=O)cc(C(=O)Nc2[n-]c(=O)nc3nc[nH]c32)n(C)c1=O	ZINC001189440025	781842167	/nfs/dbraw/zinc/84/21/67/781842167.db2.gz	OUIBVWJWARTFJC-UHFFFAOYSA-N	-1	1	317.265	-1.292	20	0		DAADMM