smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH]c(=O)[n-]c(=O)c1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C	ZINC000000980644	219348976	/nfs/dbraw/zinc/34/89/76/219348976.db2.gz	XNIZAFOTLIUVKA-UHFFFAOYSA-N	-1	3	365.371	-0.225	50	0		FBAAHM
O=C1[N-]C(=O)c2cc(S(=O)(=O)N(CCO)CCO)cc3cccc1c32	ZINC000001120566	210319525	/nfs/dbraw/zinc/31/95/25/210319525.db2.gz	YPIFVVRIPWBSRM-UHFFFAOYSA-N	-1	3	364.379	-0.301	50	0		FBAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000002464881	484879818	/nfs/dbraw/zinc/87/98/18/484879818.db2.gz	IYXSFLKWZUBMRH-UHFFFAOYSA-N	-1	3	368.371	-0.889	50	0		FBAAHM
O=C(COC(=O)CSCc1c[nH]c(=O)[n-]c1=O)Nc1ccccn1	ZINC000002490932	204041562	/nfs/dbraw/zinc/04/15/62/204041562.db2.gz	LNHIOQOICDWRPA-UHFFFAOYSA-N	-1	3	350.356	-0.127	50	0		FBAAHM
CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000002522592	483400864	/nfs/dbraw/zinc/40/08/64/483400864.db2.gz	IWMJFLJQHIDZQW-KKUMJFAQSA-N	-1	3	365.430	-0.351	50	0		FBAAHM
O=C(COC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)NCC(F)(F)F	ZINC000002634216	484903237	/nfs/dbraw/zinc/90/32/37/484903237.db2.gz	IKGSUPFGZNSGGT-UHFFFAOYSA-N	-1	3	359.260	-0.089	50	0		FBAAHM
Nc1c(=O)[n-]c(=O)[nH]c1C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2	ZINC000002637972	484902743	/nfs/dbraw/zinc/90/27/43/484902743.db2.gz	FRQFUXDWNBZFSK-UHFFFAOYSA-N	-1	3	362.298	-0.788	50	0		FBAAHM
COc1ccc(CNC(=O)COC(=O)c2c[nH]c(=O)[n-]c2=O)cc1OC	ZINC000002638171	484903471	/nfs/dbraw/zinc/90/34/71/484903471.db2.gz	ZYVUJDSZMJEOAE-UHFFFAOYSA-N	-1	3	363.326	-0.446	50	0		FBAAHM
COC(=O)c1ccc(CNC(=O)COC(=O)c2cc(=O)[n-]c(=O)[nH]2)cc1	ZINC000003298136	484973567	/nfs/dbraw/zinc/97/35/67/484973567.db2.gz	VOAQEKHXUGBPJA-UHFFFAOYSA-N	-1	3	361.310	-0.677	50	0		FBAAHM
COCCn1c(N)c(C(=S)NC(=O)c2cccs2)c(=O)[n-]c1=O	ZINC000003306605	484976811	/nfs/dbraw/zinc/97/68/11/484976811.db2.gz	AHIICCMXLOFYNH-UHFFFAOYSA-N	-1	3	354.413	-0.068	50	0		FBAAHM
Nc1c(=O)[n-]c(=O)[nH]c1C(=O)OCC(=O)N[C@@H]1CCCc2ccccc21	ZINC000003323562	484980874	/nfs/dbraw/zinc/98/08/74/484980874.db2.gz	UCYCZLRBKIBKBQ-LLVKDONJSA-N	-1	3	358.354	-0.004	50	0		FBAAHM
Nc1c(=O)[n-]c(=O)[nH]c1C(=O)OCC(=O)N[C@H]1CCCc2ccccc21	ZINC000003323563	204090630	/nfs/dbraw/zinc/09/06/30/204090630.db2.gz	UCYCZLRBKIBKBQ-NSHDSACASA-N	-1	3	358.354	-0.004	50	0		FBAAHM
C[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)OCC(=O)N(C)C	ZINC000003351325	484983367	/nfs/dbraw/zinc/98/33/67/484983367.db2.gz	WXMSAOPWAHQZGX-QMMMGPOBSA-N	-1	3	372.428	-0.011	50	0		FBAAHM
NC(=O)CSc1nnc(Cc2cc(=O)[n-]c(=O)[nH]2)n1-c1ccccc1	ZINC000004030374	485000908	/nfs/dbraw/zinc/00/09/08/485000908.db2.gz	OLEOCPWWWIUKOR-UHFFFAOYSA-N	-1	3	358.383	-0.188	50	0		FBAAHM
O=C(CN1C(=O)CCC1=O)NC(=S)Nc1cccc2c1C(=O)[N-]C2=O	ZINC000004135004	206169178	/nfs/dbraw/zinc/16/91/78/206169178.db2.gz	JWJXGCHNZDJUQE-UHFFFAOYSA-N	-1	3	360.351	-0.468	50	0		FBAAHM
Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c(=O)n(C)c1=O	ZINC000004270149	485007882	/nfs/dbraw/zinc/00/78/82/485007882.db2.gz	WNAMPRZMRIACIG-UHFFFAOYSA-N	-1	3	353.356	-0.344	50	0		FBAAHM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000004270165	485007753	/nfs/dbraw/zinc/00/77/53/485007753.db2.gz	FZBBVVMXFCIJSC-UHFFFAOYSA-N	-1	3	352.372	-0.157	50	0		FBAAHM
Cc1c(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c(=O)n(C)c(=O)n1C	ZINC000004270173	485008343	/nfs/dbraw/zinc/00/83/43/485008343.db2.gz	BXLFZRJNSCEIJL-UHFFFAOYSA-N	-1	3	367.383	-0.036	50	0		FBAAHM
COc1ccccc1N1CCN(S(=O)(=O)c2c[nH]c(=O)[n-]c2=O)CC1	ZINC000004303216	537068987	/nfs/dbraw/zinc/06/89/87/537068987.db2.gz	BFJFDBDWNHKXDZ-UHFFFAOYSA-N	-1	3	366.399	-0.005	50	0		FBAAHM
O=c1[n-]c(=O)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c[nH]1	ZINC000004480005	219578169	/nfs/dbraw/zinc/57/81/69/219578169.db2.gz	QBIPJAAIDNNTIJ-UHFFFAOYSA-N	-1	3	350.400	-0.430	50	0		FBAAHM
COC(C[N-]S(=O)(=O)CCNC(=O)c1ccc2c(c1)OCO2)OC	ZINC000004941061	206184138	/nfs/dbraw/zinc/18/41/38/206184138.db2.gz	ADCCDWJDENYERO-UHFFFAOYSA-N	-1	3	360.388	-0.317	50	0		FBAAHM
O=C(OC[C@@H]1O[C@H](n2cnc3c2nc[n-]c3=O)[C@@H](O)[C@H]1O)c1ccccc1	ZINC000005483938	484405410	/nfs/dbraw/zinc/40/54/10/484405410.db2.gz	HSWRGQSKIZYUQN-SDPXSBNPSA-N	-1	3	372.337	-0.404	50	0		FBAAHM
O=C(COC(=O)c1cc(=O)[n-]c(=O)[nH]1)Nc1ccc(N2CCOCC2)cc1	ZINC000005660306	484181764	/nfs/dbraw/zinc/18/17/64/484181764.db2.gz	LQGCYDULKBOEHG-UHFFFAOYSA-N	-1	3	374.353	-0.305	50	0		FBAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCN(c2ccccc2)CC1	ZINC000006571232	136151829	/nfs/dbraw/zinc/15/18/29/136151829.db2.gz	MBCXFSWKYQOLQH-UHFFFAOYSA-N	-1	3	350.400	-0.117	50	0		FBAAHM
COc1ccc(F)cc1S(=O)(=O)[N-]Cc1cc(=O)n(C)c(=O)n1C	ZINC000006662581	207153244	/nfs/dbraw/zinc/15/32/44/207153244.db2.gz	UBVVGWIZBDRBKJ-UHFFFAOYSA-N	-1	3	357.363	-0.290	50	0		FBAAHM
CCOC(=O)N1CCN(C(=O)Cn2[n-]c(=O)c3ccccc3c2=O)CC1	ZINC000006952722	219784464	/nfs/dbraw/zinc/78/44/64/219784464.db2.gz	XSQULQKJFVQQFK-UHFFFAOYSA-N	-1	3	360.370	-0.010	50	0		FBAAHM
O=C(CSc1nc2c(cnn2CCO)c(=O)[n-]1)NC[C@@H]1CCCO1	ZINC000007417922	207195996	/nfs/dbraw/zinc/19/59/96/207195996.db2.gz	IUEICBOFAZUPKB-VIFPVBQESA-N	-1	3	353.404	-0.501	50	0		FBAAHM
O=C(CSc1nc2c(cnn2CCO)c(=O)[n-]1)NC[C@H]1CCCO1	ZINC000007417930	207195846	/nfs/dbraw/zinc/19/58/46/207195846.db2.gz	IUEICBOFAZUPKB-SECBINFHSA-N	-1	3	353.404	-0.501	50	0		FBAAHM
C[C@H]1CN(C(=O)CSc2nc3c(cnn3CCO)c(=O)[n-]2)C[C@H](C)O1	ZINC000007418363	484425056	/nfs/dbraw/zinc/42/50/56/484425056.db2.gz	BNQCGLBYOOYZDM-UWVGGRQHSA-N	-1	3	367.431	-0.160	50	0		FBAAHM
C[C@@H]1CN(C(=O)CSc2nc3c(cnn3CCO)c(=O)[n-]2)C[C@@H](C)O1	ZINC000007418370	204296558	/nfs/dbraw/zinc/29/65/58/204296558.db2.gz	BNQCGLBYOOYZDM-NXEZZACHSA-N	-1	3	367.431	-0.160	50	0		FBAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)N1CCN(c2ncccn2)CC1	ZINC000007942815	484797173	/nfs/dbraw/zinc/79/71/73/484797173.db2.gz	XYKQXCUNNFQBQP-UHFFFAOYSA-N	-1	3	366.381	-0.171	50	0		FBAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)N1CCN(C(=O)C2CC2)CC1	ZINC000008719334	485063954	/nfs/dbraw/zinc/06/39/54/485063954.db2.gz	PELZLRRQSUWGON-UHFFFAOYSA-N	-1	3	356.382	-0.229	50	0		FBAAHM
CC(C)(CNC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)N1CCOCC1	ZINC000008735524	207245133	/nfs/dbraw/zinc/24/51/33/207245133.db2.gz	BMBNCQPIGFDLMJ-UHFFFAOYSA-N	-1	3	360.414	-0.083	50	0		FBAAHM
O=c1[n-]cnc2c1nc(NCc1ccccc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000008740068	485065972	/nfs/dbraw/zinc/06/59/72/485065972.db2.gz	MVFAUQAGTQMVFP-XNIJJKJLSA-N	-1	3	373.369	-0.657	50	0		FBAAHM
C[C@H](N)C(=O)NC[C@H](CC(=O)N[C@@H](CO)C(=O)[O-])c1ccc(Cl)cc1	ZINC000008880038	210230588	/nfs/dbraw/zinc/23/05/88/210230588.db2.gz	WQKRJZZOKWEURW-GAFUQQFSSA-N	-1	3	371.821	-0.161	50	0		FBAAHM
O=C(C[N-]S(=O)(=O)c1ccccc1F)OCC(=O)N1CCNC1=O	ZINC000009052285	204353459	/nfs/dbraw/zinc/35/34/59/204353459.db2.gz	NNJIJTJYNJSKFT-UHFFFAOYSA-N	-1	3	359.335	-0.801	50	0		FBAAHM
Cn1c2ncn(CC(=O)[N-]C(=O)OCc3ccccc3)c2c(=O)n(C)c1=O	ZINC000009115943	204354260	/nfs/dbraw/zinc/35/42/60/204354260.db2.gz	BHIUVCPRGZDYEM-UHFFFAOYSA-N	-1	3	371.353	-0.113	50	0		FBAAHM
O=c1[n-]cnc2c1nc(NCc1ccccc1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000009209177	206228996	/nfs/dbraw/zinc/22/89/96/206228996.db2.gz	MVFAUQAGTQMVFP-XQCUEUFKSA-N	-1	3	373.369	-0.657	50	0		FBAAHM
O=c1[n-]cnc2c1nc(NCc1ccccc1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000009209180	484682968	/nfs/dbraw/zinc/68/29/68/484682968.db2.gz	MVFAUQAGTQMVFP-GXCBOPRBSA-N	-1	3	373.369	-0.657	50	0		FBAAHM
O=c1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)n[n-]1	ZINC000009358741	483433311	/nfs/dbraw/zinc/43/33/11/483433311.db2.gz	NAOZIOOGRMNGPX-UHFFFAOYSA-N	-1	3	361.362	-0.167	50	0		FBAAHM
CCOC(=O)CNC(=O)CSc1nc2c(cnn2CCO)c(=O)[n-]1	ZINC000009659831	204376911	/nfs/dbraw/zinc/37/69/11/204376911.db2.gz	WVZWFYBOZOTIOZ-UHFFFAOYSA-N	-1	3	355.376	-0.704	50	0		FBAAHM
O=C(OC[C@H]1O[C@@H](n2cnc3c2nc[n-]c3=O)[C@H](O)[C@@H]1O)c1ccccc1	ZINC000011582471	483449630	/nfs/dbraw/zinc/44/96/30/483449630.db2.gz	HSWRGQSKIZYUQN-XNIJJKJLSA-N	-1	3	372.337	-0.404	50	0		FBAAHM
O=C(Nc1c[nH]c(=O)[n-]c1=O)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000012324229	483857519	/nfs/dbraw/zinc/85/75/19/483857519.db2.gz	QWKDCSZYMGYSNY-UHFFFAOYSA-N	-1	3	361.333	-0.510	50	0		FBAAHM
COCCn1c(N)c(N(Cc2ccccc2)C(=O)COC)c(=O)[n-]c1=O	ZINC000012766189	484092688	/nfs/dbraw/zinc/09/26/88/484092688.db2.gz	DHMPXNDDJIXNPT-UHFFFAOYSA-N	-1	3	362.386	-0.055	50	0		FBAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000012811527	220032308	/nfs/dbraw/zinc/03/23/08/220032308.db2.gz	NBJAIIQKZSRLQI-VIFPVBQESA-N	-1	3	372.428	-0.821	50	0		FBAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000012811531	220032840	/nfs/dbraw/zinc/03/28/40/220032840.db2.gz	NBJAIIQKZSRLQI-SECBINFHSA-N	-1	3	372.428	-0.821	50	0		FBAAHM
COCCNC(=O)NC(=O)CSc1[n-]c(=O)nc(C)c1C(=O)OC	ZINC000012817865	220033868	/nfs/dbraw/zinc/03/38/68/220033868.db2.gz	SXHYJBVZQHGVOT-UHFFFAOYSA-N	-1	3	358.376	-0.571	50	0		FBAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000012818585	220033973	/nfs/dbraw/zinc/03/39/73/220033973.db2.gz	PNPNNEBDLZJYSC-LBPRGKRZSA-N	-1	3	366.399	-0.882	50	0		FBAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000012818589	484147143	/nfs/dbraw/zinc/14/71/43/484147143.db2.gz	PNPNNEBDLZJYSC-GFCCVEGCSA-N	-1	3	366.399	-0.882	50	0		FBAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)NCCNC(=O)c1ccco1	ZINC000012846924	220034423	/nfs/dbraw/zinc/03/44/23/220034423.db2.gz	QKDJYTUILRQGDT-UHFFFAOYSA-N	-1	3	356.338	-0.171	50	0		FBAAHM
CCNC(=S)NN=c1nc(N2CCOCC2)nc(N2CCOCC2)[n-]1	ZINC000013571882	483770224	/nfs/dbraw/zinc/77/02/24/483770224.db2.gz	XCLRWYKWQDEKSW-UHFFFAOYSA-N	-1	3	368.467	-0.644	50	0		FBAAHM
C[C@@H]1CN(C(=O)CSc2nc3c(cnn3CCO)c(=O)[n-]2)C[C@H](C)O1	ZINC000015881249	220170703	/nfs/dbraw/zinc/17/07/03/220170703.db2.gz	BNQCGLBYOOYZDM-AOOOYVTPSA-N	-1	3	367.431	-0.160	50	0		FBAAHM
O=c1[n-]cnc2c1nc(NCc1ccccc1)n2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	ZINC000015952926	220173566	/nfs/dbraw/zinc/17/35/66/220173566.db2.gz	MVFAUQAGTQMVFP-RKOGSIPDSA-N	-1	3	373.369	-0.657	50	0		FBAAHM
O=c1[n-]cnc2c1nc(NCc1ccccc1)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	ZINC000015952927	220173750	/nfs/dbraw/zinc/17/37/50/220173750.db2.gz	MVFAUQAGTQMVFP-SDPXSBNPSA-N	-1	3	373.369	-0.657	50	0		FBAAHM
CC(=O)OCCOCn1cc(I)c(=O)[n-]c1=O	ZINC000020058902	484846511	/nfs/dbraw/zinc/84/65/11/484846511.db2.gz	PQMMBDHYPCKLIQ-UHFFFAOYSA-N	-1	3	354.100	-0.322	50	0		FBAAHM
Cn1c2[n-]c(Sc3nnc(-c4cccnc4)n3N)nc2c(=O)n(C)c1=O	ZINC000020427986	483490424	/nfs/dbraw/zinc/49/04/24/483490424.db2.gz	NKDGYEJUFUKUGP-UHFFFAOYSA-N	-1	3	371.386	-0.521	50	0		FBAAHM
COC(=O)c1c(C)c(C(N)=O)sc1[N-]C(=O)C(=O)N1CCN(C)CC1	ZINC000020646668	220337547	/nfs/dbraw/zinc/33/75/47/220337547.db2.gz	WEIMNBSKLPQJTR-UHFFFAOYSA-N	-1	3	368.415	-0.345	50	0		FBAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCN(Cc2ccccc2)CC1	ZINC000020676790	483491992	/nfs/dbraw/zinc/49/19/92/483491992.db2.gz	ZXSQHCDZFWAXCU-UHFFFAOYSA-N	-1	3	364.427	-0.122	50	0		FBAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC(C(=O)NCC(C)C)CC1	ZINC000020721838	211294215	/nfs/dbraw/zinc/29/42/15/211294215.db2.gz	CGTIIRYQXHEXJM-UHFFFAOYSA-N	-1	3	372.447	-0.455	50	0		FBAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC(C(=O)NC2CC2)CC1	ZINC000020738894	483492357	/nfs/dbraw/zinc/49/23/57/483492357.db2.gz	WNOOXXYGNXGOHE-UHFFFAOYSA-N	-1	3	356.404	-0.949	50	0		FBAAHM
CCOC(=O)c1[n-]c(=O)[nH]c1CN1CCN(c2cnn(C)c(=O)c2)CC1	ZINC000020905726	521358094	/nfs/dbraw/zinc/35/80/94/521358094.db2.gz	QDPJDFIDRQJQSG-UHFFFAOYSA-N	-1	3	362.390	-0.704	50	0		FBAAHM
C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)NC(N)=O)ccc1Cl	ZINC000021185035	483850053	/nfs/dbraw/zinc/85/00/53/483850053.db2.gz	KRFNAZQSGPRQGR-LURJTMIESA-N	-1	3	363.779	-0.012	50	0		FBAAHM
C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)NC(N)=O)ccc1Cl	ZINC000021185040	220354980	/nfs/dbraw/zinc/35/49/80/220354980.db2.gz	KRFNAZQSGPRQGR-ZCFIWIBFSA-N	-1	3	363.779	-0.012	50	0		FBAAHM
CCCn1c(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)n[n-]c1=O	ZINC000021625495	483855125	/nfs/dbraw/zinc/85/51/25/483855125.db2.gz	HOMVFEZWYRTQEO-ZETCQYMHSA-N	-1	3	368.419	-0.263	50	0		FBAAHM
CCCn1c(S[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)n[n-]c1=O	ZINC000021625501	483855260	/nfs/dbraw/zinc/85/52/60/483855260.db2.gz	HOMVFEZWYRTQEO-SSDOTTSWSA-N	-1	3	368.419	-0.263	50	0		FBAAHM
C[C@@]1(NC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)CCS(=O)(=O)C1	ZINC000022546338	483496083	/nfs/dbraw/zinc/49/60/83/483496083.db2.gz	COMKRFGOACTWDU-OAHLLOKOSA-N	-1	3	351.384	-0.205	50	0		FBAAHM
C[C@]1(NC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)CCS(=O)(=O)C1	ZINC000022546340	211354857	/nfs/dbraw/zinc/35/48/57/211354857.db2.gz	COMKRFGOACTWDU-HNNXBMFYSA-N	-1	3	351.384	-0.205	50	0		FBAAHM
COc1cccc(OC[C@@H](O)CN(C)C[C@@H](O)CNS(=O)(=O)[O-])c1	ZINC000022590005	657451278	/nfs/dbraw/zinc/45/12/78/657451278.db2.gz	DTLRVCAQALYBIY-RYUDHWBXSA-N	-1	3	364.420	-0.880	50	0		FBAAHM
COc1cccc(OC[C@H](O)CN(C)C[C@@H](O)CNS(=O)(=O)[O-])c1	ZINC000022590009	657451093	/nfs/dbraw/zinc/45/10/93/657451093.db2.gz	DTLRVCAQALYBIY-NWDGAFQWSA-N	-1	3	364.420	-0.880	50	0		FBAAHM
COC(=O)c1ccc(S(=O)(=O)NCCc2cc(=O)[n-]c(C)n2)n1C	ZINC000023145311	657583527	/nfs/dbraw/zinc/58/35/27/657583527.db2.gz	JRNIVZSQZPSEAO-UHFFFAOYSA-N	-1	3	354.388	-0.276	50	0		FBAAHM
COCCNC(=O)CN1CCN(Cc2nc3ccsc3c(=O)[n-]2)CC1	ZINC000023249171	483788210	/nfs/dbraw/zinc/78/82/10/483788210.db2.gz	VWHCHWQQORGNQK-UHFFFAOYSA-N	-1	3	365.459	-0.135	50	0		FBAAHM
Cc1nc(CNC(=O)c2cnc(N3CCN(C)CC3)nc2C)cc(=O)[n-]1	ZINC000023541874	136153057	/nfs/dbraw/zinc/15/30/57/136153057.db2.gz	FHDZXTJYDARYNS-UHFFFAOYSA-N	-1	3	357.418	-0.141	50	0		FBAAHM
CN(Cc1cnn(C)c1)C(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000024476449	483499540	/nfs/dbraw/zinc/49/95/40/483499540.db2.gz	NMTPGWGHNPCXJP-UHFFFAOYSA-N	-1	3	356.180	-0.309	50	0		FBAAHM
Cc1ccc(NC(=O)CN2CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2)cc1	ZINC000024754550	483499822	/nfs/dbraw/zinc/49/98/22/483499822.db2.gz	WPIWIEAJIWPOQP-AWEZNQCLSA-N	-1	3	373.413	-0.324	50	0		FBAAHM
Cc1ccc(NC(=O)CN2CCN(C(=O)C[C@H]3NC(=O)[N-]C3=O)CC2)cc1	ZINC000024754555	220459985	/nfs/dbraw/zinc/45/99/85/220459985.db2.gz	WPIWIEAJIWPOQP-CQSZACIVSA-N	-1	3	373.413	-0.324	50	0		FBAAHM
O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC2(CC1)OCCO2	ZINC000024996611	483501305	/nfs/dbraw/zinc/50/13/05/483501305.db2.gz	JQSHCPBTCZTOPL-UHFFFAOYSA-N	-1	3	374.191	-0.335	50	0		FBAAHM
CN(C)C(=O)CN1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1	ZINC000028000611	483504666	/nfs/dbraw/zinc/50/46/66/483504666.db2.gz	ZXJOPYUNGUURQC-UHFFFAOYSA-N	-1	3	368.459	-0.096	50	0		FBAAHM
CC(C)(C)C(=O)OC[C@@H]1O[C@H](n2cnc3c2nc[n-]c3=O)[C@@H](O)[C@@H]1O	ZINC000030835864	483514550	/nfs/dbraw/zinc/51/45/50/483514550.db2.gz	KLHDQKZATPWXHO-DTITTZBUSA-N	-1	3	352.347	-0.672	50	0		FBAAHM
CCS(=O)(=O)N1CCC(NC(=O)Cc2c(C)nc(C)[n-]c2=O)CC1	ZINC000031275685	211531090	/nfs/dbraw/zinc/53/10/90/211531090.db2.gz	ALHYSOPTJPXIGT-UHFFFAOYSA-N	-1	3	356.448	-0.140	50	0		FBAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCC(C)C)C1	ZINC000031808247	484998703	/nfs/dbraw/zinc/99/87/03/484998703.db2.gz	IXRVZSGJXISAKV-LLVKDONJSA-N	-1	3	372.447	-0.455	50	0		FBAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)NCC(C)C)C1	ZINC000031808252	484998737	/nfs/dbraw/zinc/99/87/37/484998737.db2.gz	IXRVZSGJXISAKV-NSHDSACASA-N	-1	3	372.447	-0.455	50	0		FBAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CC2)C1	ZINC000031808390	484998717	/nfs/dbraw/zinc/99/87/17/484998717.db2.gz	WCWKXYBGVSANLT-SECBINFHSA-N	-1	3	356.404	-0.949	50	0		FBAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)NC2CC2)C1	ZINC000031808395	208018900	/nfs/dbraw/zinc/01/89/00/208018900.db2.gz	WCWKXYBGVSANLT-VIFPVBQESA-N	-1	3	356.404	-0.949	50	0		FBAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000031808466	484998688	/nfs/dbraw/zinc/99/86/88/484998688.db2.gz	POSGTIVUZWKNJH-SNVBAGLBSA-N	-1	3	358.420	-0.703	50	0		FBAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000031808471	485000244	/nfs/dbraw/zinc/00/02/44/485000244.db2.gz	POSGTIVUZWKNJH-JTQLQIEISA-N	-1	3	358.420	-0.703	50	0		FBAAHM
COc1cccc(C(=O)N2CCN(C(=O)CC[C@@H]3NC(=O)[N-]C3=O)CC2)c1	ZINC000031980779	483550903	/nfs/dbraw/zinc/55/09/03/483550903.db2.gz	OTCBMAGRQOVHGB-AWEZNQCLSA-N	-1	3	374.397	-0.032	50	0		FBAAHM
COc1cccc(C(=O)N2CCN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)CC2)c1	ZINC000031980780	483550781	/nfs/dbraw/zinc/55/07/81/483550781.db2.gz	OTCBMAGRQOVHGB-CQSZACIVSA-N	-1	3	374.397	-0.032	50	0		FBAAHM
O=C(CSc1nc2[nH]cnc2c(=O)[n-]1)NCCCN1CCOCC1	ZINC000033324851	483769728	/nfs/dbraw/zinc/76/97/28/483769728.db2.gz	HWWUKOVIHBMGKV-UHFFFAOYSA-N	-1	3	352.420	-0.011	50	0		FBAAHM
O=C(c1c[nH]c(=O)[n-]c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000033381226	208091053	/nfs/dbraw/zinc/09/10/53/208091053.db2.gz	VWDPCBUDLJSHRA-UHFFFAOYSA-N	-1	3	358.354	-0.250	50	0		FBAAHM
Cc1ccc(OC[C@H](O)CN(C)C[C@H](O)CNS(=O)(=O)[O-])c(C)c1	ZINC000034132528	660445405	/nfs/dbraw/zinc/44/54/05/660445405.db2.gz	CXUNQIYIWJXXGW-ZIAGYGMSSA-N	-1	3	362.448	-0.272	50	0		FBAAHM
Cc1ccc(OC[C@@H](O)CN(C)C[C@H](O)CNS(=O)(=O)[O-])c(C)c1	ZINC000034132530	660445425	/nfs/dbraw/zinc/44/54/25/660445425.db2.gz	CXUNQIYIWJXXGW-KGLIPLIRSA-N	-1	3	362.448	-0.272	50	0		FBAAHM
CCOC([O-])=NC(=O)COC(=O)CNS(=O)(=O)c1cccs1	ZINC000040081985	205053735	/nfs/dbraw/zinc/05/37/35/205053735.db2.gz	TWXHYBHCMZNSDC-UHFFFAOYSA-N	-1	3	350.374	-0.158	50	0		FBAAHM
CNC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1)c1ccccc1	ZINC000040152927	485105044	/nfs/dbraw/zinc/10/50/44/485105044.db2.gz	BYBUGIOPKJNNMB-CYBMUJFWSA-N	-1	3	350.400	-0.110	50	0		FBAAHM
CNC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1)c1ccccc1	ZINC000040152928	485104439	/nfs/dbraw/zinc/10/44/39/485104439.db2.gz	BYBUGIOPKJNNMB-ZDUSSCGKSA-N	-1	3	350.400	-0.110	50	0		FBAAHM
COc1cccc(OC[C@@H](O)CN(C)C[C@H](O)CNS(=O)(=O)[O-])c1	ZINC000043204104	839912513	/nfs/dbraw/zinc/91/25/13/839912513.db2.gz	DTLRVCAQALYBIY-NEPJUHHUSA-N	-1	3	364.420	-0.880	50	0		FBAAHM
Cn1cc(C(=O)NC2CCN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)CC2)cn1	ZINC000049016327	483779320	/nfs/dbraw/zinc/77/93/20/483779320.db2.gz	UPLQZTSOLGJQAB-GFCCVEGCSA-N	-1	3	362.390	-0.871	50	0		FBAAHM
Cn1cc(C(=O)NC2CCN(C(=O)CC[C@@H]3NC(=O)[N-]C3=O)CC2)cn1	ZINC000049016331	205167812	/nfs/dbraw/zinc/16/78/12/205167812.db2.gz	UPLQZTSOLGJQAB-LBPRGKRZSA-N	-1	3	362.390	-0.871	50	0		FBAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)C[C@@H]2C(=O)NCCN2C(C)C)n1	ZINC000055359467	483671515	/nfs/dbraw/zinc/67/15/15/483671515.db2.gz	HZCQJSRPEIUVOH-GFCCVEGCSA-N	-1	3	350.423	-0.795	50	0		FBAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)C[C@H]2C(=O)NCCN2C(C)C)n1	ZINC000055359470	483671056	/nfs/dbraw/zinc/67/10/56/483671056.db2.gz	HZCQJSRPEIUVOH-LBPRGKRZSA-N	-1	3	350.423	-0.795	50	0		FBAAHM
Cc1cc(C)n(C(=O)c2c[n-]nc2S(=O)(=O)N2CCN(C)CC2)n1	ZINC000057478081	205241750	/nfs/dbraw/zinc/24/17/50/205241750.db2.gz	XFYPPDDWRJJCKC-UHFFFAOYSA-N	-1	3	352.420	-0.152	50	0		FBAAHM
CCN1CCN(c2ccc(CNC(=O)CC[C@H]3NC(=O)[N-]C3=O)cn2)CC1	ZINC000061647098	484059414	/nfs/dbraw/zinc/05/94/14/484059414.db2.gz	ADZAJELNETXJHZ-CQSZACIVSA-N	-1	3	374.445	-0.172	50	0		FBAAHM
CS(=O)(=O)N1CCC([N-]S(=O)(=O)c2cccc3nonc32)CC1	ZINC000061718261	221134145	/nfs/dbraw/zinc/13/41/45/221134145.db2.gz	RMMFRRURDOZYOC-UHFFFAOYSA-N	-1	3	360.417	-0.075	50	0		FBAAHM
CN1CCN([C@H]2CN(c3nc(N)nc4ccc(C(=O)[O-])cc43)C[C@@H]2O)CC1	ZINC000065398681	483704231	/nfs/dbraw/zinc/70/42/31/483704231.db2.gz	ZKQAAQNELDZQET-GJZGRUSLSA-N	-1	3	372.429	-0.293	50	0		FBAAHM
NC(=O)COc1ccccc1CN1CCN(c2cc(=O)[n-]c(N)n2)CC1	ZINC000065428188	136136307	/nfs/dbraw/zinc/13/63/07/136136307.db2.gz	QNJJVUBUARZASE-UHFFFAOYSA-N	-1	3	358.402	-0.462	50	0		FBAAHM
O=C(c1c[nH]c(=O)[n-]c1=O)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1	ZINC000065527175	221231346	/nfs/dbraw/zinc/23/13/46/221231346.db2.gz	NLKLJWDXMUFQMY-CMPLNLGQSA-N	-1	3	359.338	-0.218	50	0		FBAAHM
CCOC[C@H](O)CNS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067458766	483713574	/nfs/dbraw/zinc/71/35/74/483713574.db2.gz	WGLIMYOFMAHBDA-MRVPVSSYSA-N	-1	3	364.445	-0.232	50	0		FBAAHM
CCOC[C@@H](O)CNS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067458771	221256412	/nfs/dbraw/zinc/25/64/12/221256412.db2.gz	WGLIMYOFMAHBDA-QMMMGPOBSA-N	-1	3	364.445	-0.232	50	0		FBAAHM
NC(=O)[C@H]1CCCN(S(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)C1	ZINC000067473556	221257196	/nfs/dbraw/zinc/25/71/96/221257196.db2.gz	ROIKITDZQJVQHN-QMMMGPOBSA-N	-1	3	373.456	-0.022	50	0		FBAAHM
NC(=O)[C@@H]1CCCN(S(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)C1	ZINC000067473557	205372954	/nfs/dbraw/zinc/37/29/54/205372954.db2.gz	ROIKITDZQJVQHN-MRVPVSSYSA-N	-1	3	373.456	-0.022	50	0		FBAAHM
O=C(c1nc[nH]n1)N1CCC([C@]2(c3ccccn3)NC(=O)[N-]C2=O)CC1	ZINC000067514199	221258360	/nfs/dbraw/zinc/25/83/60/221258360.db2.gz	DXDYDKSRENYFAE-MRXNPFEDSA-N	-1	3	355.358	-0.213	50	0		FBAAHM
O=C(c1nc[nH]n1)N1CCC([C@@]2(c3ccccn3)NC(=O)[N-]C2=O)CC1	ZINC000067514201	205373998	/nfs/dbraw/zinc/37/39/98/205373998.db2.gz	DXDYDKSRENYFAE-INIZCTEOSA-N	-1	3	355.358	-0.213	50	0		FBAAHM
Cc1cc(C)n(CCNC(=O)c2cc(-n3cnnn3)ccc2[O-])c(=O)n1	ZINC000067542290	483714949	/nfs/dbraw/zinc/71/49/49/483714949.db2.gz	NGXBKEDEDKXPKJ-UHFFFAOYSA-N	-1	3	355.358	-0.029	50	0		FBAAHM
CC(=O)N1CCN(S(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)CC1	ZINC000067560143	221259750	/nfs/dbraw/zinc/25/97/50/221259750.db2.gz	GKPPTVDNZMCCOD-UHFFFAOYSA-N	-1	3	373.456	-0.055	50	0		FBAAHM
CNC(=O)[C@@H](C)CNS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067641913	221264588	/nfs/dbraw/zinc/26/45/88/221264588.db2.gz	BDDTUXZOSNNMEE-ZETCQYMHSA-N	-1	3	361.445	-0.248	50	0		FBAAHM
CNC(=O)[C@H](C)CNS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067641914	221265106	/nfs/dbraw/zinc/26/51/06/221265106.db2.gz	BDDTUXZOSNNMEE-SSDOTTSWSA-N	-1	3	361.445	-0.248	50	0		FBAAHM
O=C([O-])c1c2c(sc1S(=O)(=O)NC[C@@H]1COCCO1)CNCC2	ZINC000067672922	221268194	/nfs/dbraw/zinc/26/81/94/221268194.db2.gz	ZTBLOZATVUNCIO-MRVPVSSYSA-N	-1	3	362.429	-0.214	50	0		FBAAHM
O=C([O-])c1c2c(sc1S(=O)(=O)NC[C@H]1COCCO1)CNCC2	ZINC000067672923	205380168	/nfs/dbraw/zinc/38/01/68/205380168.db2.gz	ZTBLOZATVUNCIO-QMMMGPOBSA-N	-1	3	362.429	-0.214	50	0		FBAAHM
Cc1cc(C(=O)N2[C@@H]3CC[C@H]2CN(C)C(=O)C3)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000067694830	221273824	/nfs/dbraw/zinc/27/38/24/221273824.db2.gz	ZWJFSZMSSXJASZ-MNOVXSKESA-N	-1	3	371.397	-0.234	50	0		FBAAHM
Cc1cn(CCNS(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)nn1	ZINC000067712663	483715588	/nfs/dbraw/zinc/71/55/88/483715588.db2.gz	MBGQHLJXGWJKPL-UHFFFAOYSA-N	-1	3	371.444	-0.030	50	0		FBAAHM
CN1CCN2C[C@@H](NC(=O)c3ccc(N4CC(=O)N=C4[O-])cc3)C[C@H]2C1	ZINC000067742927	221280225	/nfs/dbraw/zinc/28/02/25/221280225.db2.gz	CQCGBTNLCVVKAJ-ZFWWWQNUSA-N	-1	3	357.414	-0.139	50	0		FBAAHM
CC(C)[C@@H](NS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2)C(N)=O	ZINC000067820352	221289798	/nfs/dbraw/zinc/28/97/98/221289798.db2.gz	PENRITDFULKYRX-SNVBAGLBSA-N	-1	3	361.445	-0.120	50	0		FBAAHM
CCN(CC)Cc1cnc2c(C(=O)NCCc3n[nH]c(=O)[n-]3)cnn2c1	ZINC000067867952	221296625	/nfs/dbraw/zinc/29/66/25/221296625.db2.gz	IOQBZUJYOJCIHX-UHFFFAOYSA-N	-1	3	358.406	-0.045	50	0		FBAAHM
Cc1ccc(C2(O)CCN(S(=O)(=O)c3c[nH]c(=O)[n-]c3=O)CC2)nc1	ZINC000067872956	483715377	/nfs/dbraw/zinc/71/53/77/483715377.db2.gz	BMKOQPQLUWNHJX-UHFFFAOYSA-N	-1	3	366.399	-0.149	50	0		FBAAHM
CO[C@H]1COC[C@@H]1NS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067883852	221301834	/nfs/dbraw/zinc/30/18/34/221301834.db2.gz	WHCWDEXYRNHWSJ-IUCAKERBSA-N	-1	3	362.429	-0.216	50	0		FBAAHM
Cc1cc(=O)n2nc(CC(=O)N3CCN(C)C4(CCN(C)CC4)C3)[n-]c2n1	ZINC000067894003	221301853	/nfs/dbraw/zinc/30/18/53/221301853.db2.gz	FEGRVWZXFCGDDO-UHFFFAOYSA-N	-1	3	373.461	-0.081	50	0		FBAAHM
CN1CCCN(c2ncccc2CNC(=O)Cc2cc(=O)[n-]c(N)n2)CC1	ZINC000067896522	221302060	/nfs/dbraw/zinc/30/20/60/221302060.db2.gz	CDFBHGJNFRBXFO-UHFFFAOYSA-N	-1	3	371.445	-0.252	50	0		FBAAHM
CC(C)NC(=O)CNS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067947425	483716328	/nfs/dbraw/zinc/71/63/28/483716328.db2.gz	MWZBMGBOFXHYSV-UHFFFAOYSA-N	-1	3	361.445	-0.105	50	0		FBAAHM
O=C(Cn1cnnn1)N1CCC([C@]2(c3ccccn3)NC(=O)[N-]C2=O)CC1	ZINC000067966422	221309779	/nfs/dbraw/zinc/30/97/79/221309779.db2.gz	ZDLUHJWVZDRHJQ-MRXNPFEDSA-N	-1	3	370.373	-0.958	50	0		FBAAHM
O=C(Cn1cnnn1)N1CCC([C@@]2(c3ccccn3)NC(=O)[N-]C2=O)CC1	ZINC000067966427	221309662	/nfs/dbraw/zinc/30/96/62/221309662.db2.gz	ZDLUHJWVZDRHJQ-INIZCTEOSA-N	-1	3	370.373	-0.958	50	0		FBAAHM
CN1CC(=O)N2C[C@H](NC(=O)c3cc(=O)c4ccccc4[n-]3)C[C@H]2C1=O	ZINC000067981970	221312352	/nfs/dbraw/zinc/31/23/52/221312352.db2.gz	IWBRGRBDXCSRPK-YGRLFVJLSA-N	-1	3	354.366	-0.301	50	0		FBAAHM
NC(=O)N1CCN(S(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)CC1	ZINC000067982057	660219702	/nfs/dbraw/zinc/21/97/02/660219702.db2.gz	XUYKPNGRNPWTFT-UHFFFAOYSA-N	-1	3	374.444	-0.523	50	0		FBAAHM
CCN1CCN(c2ccc(CNC(=O)CC[C@@H]3NC(=O)[N-]C3=O)cn2)CC1	ZINC000069460327	136138033	/nfs/dbraw/zinc/13/80/33/136138033.db2.gz	ADZAJELNETXJHZ-AWEZNQCLSA-N	-1	3	374.445	-0.172	50	0		FBAAHM
CNC(=O)c1cc(S(=O)(=O)N2CCc3c(nc[n-]c3=O)C2)cs1	ZINC000071422467	571161302	/nfs/dbraw/zinc/16/13/02/571161302.db2.gz	KNUNDTKZFYIIBB-UHFFFAOYSA-N	-1	3	354.413	-0.062	50	0		FBAAHM
Cn1nnc(-c2ccc(C(=O)N3CCc4c(nc(N)[n-]c4=O)C3)cc2)n1	ZINC000071576022	483724223	/nfs/dbraw/zinc/72/42/23/483724223.db2.gz	ZDBXKSFLFSKJLC-UHFFFAOYSA-N	-1	3	352.358	-0.259	50	0		FBAAHM
Cc1nc(S(=O)(=O)N2CCc3c(nc(N(C)C)[n-]c3=O)C2)cn1C	ZINC000071730582	221357036	/nfs/dbraw/zinc/35/70/36/221357036.db2.gz	RPUGDRNBICYTPY-UHFFFAOYSA-N	-1	3	352.420	-0.375	50	0		FBAAHM
CN(C)c1nc2c(c(=O)[n-]1)CCN(C(=O)CN1C(=O)NC(=O)C1(C)C)C2	ZINC000071735587	483724548	/nfs/dbraw/zinc/72/45/48/483724548.db2.gz	RSKAVGCQXIQJBS-UHFFFAOYSA-N	-1	3	362.390	-0.949	50	0		FBAAHM
CC(=O)N[C@@H](CO)C(=O)N1CCc2c(=O)[n-]c(-c3ccccc3)nc2C1	ZINC000071748777	221360359	/nfs/dbraw/zinc/36/03/59/221360359.db2.gz	RUGOINIOFXFPOL-HNNXBMFYSA-N	-1	3	356.382	-0.181	50	0		FBAAHM
CC(=O)N[C@H](CO)C(=O)N1CCc2c(=O)[n-]c(-c3ccccc3)nc2C1	ZINC000071748778	221361178	/nfs/dbraw/zinc/36/11/78/221361178.db2.gz	RUGOINIOFXFPOL-OAHLLOKOSA-N	-1	3	356.382	-0.181	50	0		FBAAHM
CN(C)c1nc2c(c(=O)[n-]1)CCN(C(=O)c1[nH]nc3c1CN(C)CC3)C2	ZINC000071749527	483724731	/nfs/dbraw/zinc/72/47/31/483724731.db2.gz	UYRBYECANUNFSS-UHFFFAOYSA-N	-1	3	357.418	-0.255	50	0		FBAAHM
Cn1c2ccc(S(=O)(=O)N3CCc4c(nc[n-]c4=O)C3)cc2oc1=O	ZINC000071753754	483724691	/nfs/dbraw/zinc/72/46/91/483724691.db2.gz	VBJUCSWBDWTJLV-UHFFFAOYSA-N	-1	3	362.367	-0.038	50	0		FBAAHM
Cc1ncc(CC(=O)N2CCc3c(ncnc3N3CCOCC3)C2)c(=O)[n-]1	ZINC000071759673	136140443	/nfs/dbraw/zinc/14/04/43/136140443.db2.gz	CQSKRTCOLMPEOA-UHFFFAOYSA-N	-1	3	370.413	-0.168	50	0		FBAAHM
Cc1nc2c(c(=O)[n-]1)CCN(C(=O)c1cnn3cc(CCO)cnc13)C2	ZINC000071762656	483724680	/nfs/dbraw/zinc/72/46/80/483724680.db2.gz	LGKDHNPYKXQYER-UHFFFAOYSA-N	-1	3	354.370	-0.146	50	0		FBAAHM
CN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)c1cc(=O)[n-]c(=O)[nH]1)C2	ZINC000071765451	483724757	/nfs/dbraw/zinc/72/47/57/483724757.db2.gz	OIEGZLCZRHUNBK-UHFFFAOYSA-N	-1	3	359.390	-0.404	50	0		FBAAHM
O=C(COc1cccc(-n2cnnn2)c1)N1CCc2c(=O)[n-]cnc2C1	ZINC000071776553	221375210	/nfs/dbraw/zinc/37/52/10/221375210.db2.gz	VNABFXMBKFMKCM-UHFFFAOYSA-N	-1	3	353.342	-0.291	50	0		FBAAHM
Nc1cc(=O)[n-]c(CCNC(=O)C[C@@H]2C(=O)NCCN2C2CCCC2)n1	ZINC000072123839	483727053	/nfs/dbraw/zinc/72/70/53/483727053.db2.gz	KCRQJLLQUFSPNC-GFCCVEGCSA-N	-1	3	362.434	-0.444	50	0		FBAAHM
Nc1cc(=O)[n-]c(CCNC(=O)C[C@H]2C(=O)NCCN2C2CCCC2)n1	ZINC000072123840	483727142	/nfs/dbraw/zinc/72/71/42/483727142.db2.gz	KCRQJLLQUFSPNC-LBPRGKRZSA-N	-1	3	362.434	-0.444	50	0		FBAAHM
Cc1cc(=O)[n-]c(CCNC(=O)C[C@@H]2C(=O)NCCN2CC(C)(C)C)n1	ZINC000072127282	483726954	/nfs/dbraw/zinc/72/69/54/483726954.db2.gz	LNTBGYIEWAJTDA-CYBMUJFWSA-N	-1	3	363.462	-0.026	50	0		FBAAHM
Cc1cc(=O)[n-]c(CCNC(=O)C[C@H]2C(=O)NCCN2CC(C)(C)C)n1	ZINC000072127283	483727333	/nfs/dbraw/zinc/72/73/33/483727333.db2.gz	LNTBGYIEWAJTDA-ZDUSSCGKSA-N	-1	3	363.462	-0.026	50	0		FBAAHM
Nc1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccc(Cn3cnnn3)cc1)C2	ZINC000072150268	483728246	/nfs/dbraw/zinc/72/82/46/483728246.db2.gz	XRNBHTRGIMYLHH-UHFFFAOYSA-N	-1	3	352.358	-0.415	50	0		FBAAHM
COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCc2c(nc[n-]c2=O)C1	ZINC000072154246	483728069	/nfs/dbraw/zinc/72/80/69/483728069.db2.gz	UKAPXLPNRJYBIE-UHFFFAOYSA-N	-1	3	364.383	-0.376	50	0		FBAAHM
CN(C)c1nc2c(c(=O)[n-]1)CCN(C(=O)CSc1nnnn1C)C2	ZINC000072156372	483727841	/nfs/dbraw/zinc/72/78/41/483727841.db2.gz	WIJLKPBQQKPXKP-UHFFFAOYSA-N	-1	3	350.408	-0.964	50	0		FBAAHM
CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)NCCc1nc(N)cc(=O)[n-]1	ZINC000072158577	483727562	/nfs/dbraw/zinc/72/75/62/483727562.db2.gz	FGWFRTDFVLVRCY-NSHDSACASA-N	-1	3	364.450	-0.340	50	0		FBAAHM
CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)NCCc1nc(N)cc(=O)[n-]1	ZINC000072158578	483728058	/nfs/dbraw/zinc/72/80/58/483728058.db2.gz	FGWFRTDFVLVRCY-LLVKDONJSA-N	-1	3	364.450	-0.340	50	0		FBAAHM
CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)NCCc1nc(N)cc(=O)[n-]1	ZINC000072159136	483727613	/nfs/dbraw/zinc/72/76/13/483727613.db2.gz	JMSFBYPTYIPXNJ-LBPRGKRZSA-N	-1	3	364.450	-0.340	50	0		FBAAHM
CC(C)CCN1CCNC(=O)[C@H]1CC(=O)NCCc1nc(N)cc(=O)[n-]1	ZINC000072159137	483728020	/nfs/dbraw/zinc/72/80/20/483728020.db2.gz	JMSFBYPTYIPXNJ-GFCCVEGCSA-N	-1	3	364.450	-0.340	50	0		FBAAHM
Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccc(-n3cnnn3)cc1[O-])C2	ZINC000072169367	483729130	/nfs/dbraw/zinc/72/91/30/483729130.db2.gz	WNGZRAKQYSSAMT-UHFFFAOYSA-N	-1	3	353.342	-0.042	50	0		FBAAHM
C[C@@H](CNC(=O)c1[nH]c(=O)[n-]c(=O)c1N)N1CCN(c2ccccc2)CC1	ZINC000072301475	136144109	/nfs/dbraw/zinc/14/41/09/136144109.db2.gz	QCJOTZUABIFSOJ-LBPRGKRZSA-N	-1	3	372.429	-0.414	50	0		FBAAHM
C[C@H](CNC(=O)c1[nH]c(=O)[n-]c(=O)c1N)N1CCN(c2ccccc2)CC1	ZINC000072301476	136144056	/nfs/dbraw/zinc/14/40/56/136144056.db2.gz	QCJOTZUABIFSOJ-GFCCVEGCSA-N	-1	3	372.429	-0.414	50	0		FBAAHM
COc1ccc(C(=O)N2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)cc1	ZINC000072407559	571191125	/nfs/dbraw/zinc/19/11/25/571191125.db2.gz	BVFUMUPVUNRPOP-UHFFFAOYSA-N	-1	3	360.370	-0.469	50	0		FBAAHM
CNC(=O)C[C@@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000072433431	571196115	/nfs/dbraw/zinc/19/61/15/571196115.db2.gz	AFFHODHXAZCARW-SNVBAGLBSA-N	-1	3	361.445	-0.610	50	0		FBAAHM
CNC(=O)C[C@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000072433432	571196046	/nfs/dbraw/zinc/19/60/46/571196046.db2.gz	AFFHODHXAZCARW-JTQLQIEISA-N	-1	3	361.445	-0.610	50	0		FBAAHM
CCc1nc(C)c(CC(=O)N2CCN(C)[C@@H]3CS(=O)(=O)C[C@@H]32)c(=O)[n-]1	ZINC000072435097	571196310	/nfs/dbraw/zinc/19/63/10/571196310.db2.gz	JGZVSEDCIDKDOP-OLZOCXBDSA-N	-1	3	368.459	-0.877	50	0		FBAAHM
COc1cccc(C(=O)N2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)c1	ZINC000072435461	571196261	/nfs/dbraw/zinc/19/62/61/571196261.db2.gz	ZTESXPSTUUWLMM-UHFFFAOYSA-N	-1	3	360.370	-0.469	50	0		FBAAHM
CN(C)CCN1C[C@@]2(CCCN(C(=O)Cc3n[nH]c(=O)[n-]3)C2)CCC1=O	ZINC000072438675	483730494	/nfs/dbraw/zinc/73/04/94/483730494.db2.gz	PMNMSLULKXYCJS-KRWDZBQOSA-N	-1	3	364.450	-0.567	50	0		FBAAHM
CN(C)CCN1C[C@]2(CCCN(C(=O)Cc3n[nH]c(=O)[n-]3)C2)CCC1=O	ZINC000072438677	483730628	/nfs/dbraw/zinc/73/06/28/483730628.db2.gz	PMNMSLULKXYCJS-QGZVFWFLSA-N	-1	3	364.450	-0.567	50	0		FBAAHM
Cc1ncc(C(=O)N2CCN(CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c(=O)[n-]1	ZINC000072447713	483730519	/nfs/dbraw/zinc/73/05/19/483730519.db2.gz	OXSOPEOBIIHKIT-KGLIPLIRSA-N	-1	3	368.459	-0.342	50	0		FBAAHM
COc1cccc(C(=O)N2CCN(C(=O)c3c[nH]c(=O)[n-]c3=O)CC2)c1	ZINC000072476910	483730125	/nfs/dbraw/zinc/73/01/25/483730125.db2.gz	ARMSRXSYORQZTF-UHFFFAOYSA-N	-1	3	358.354	-0.330	50	0		FBAAHM
Cc1nn(C)c2nc(C)nc(N3CCN(c4cc(=O)[n-]c(N)n4)CC3)c12	ZINC000072477262	136149269	/nfs/dbraw/zinc/14/92/69/136149269.db2.gz	OLUPGHXZKDCIFJ-UHFFFAOYSA-N	-1	3	355.406	-0.028	50	0		FBAAHM
Nc1nccc(N2CC[C@H]3N(CCOCCO)CCC[C@]3(C(=O)[O-])C2)n1	ZINC000072477303	136149258	/nfs/dbraw/zinc/14/92/58/136149258.db2.gz	ORHUYHRSUGAEDQ-DYVFJYSZSA-N	-1	3	365.434	-0.187	50	0		FBAAHM
CCCN1C[C@@]2(C(=O)[O-])CN(Cc3cn(CCO)nc3C)C[C@H]2C1=O	ZINC000072477896	483730151	/nfs/dbraw/zinc/73/01/51/483730151.db2.gz	ZZFYUIZOGUSRRD-YOEHRIQHSA-N	-1	3	350.419	-0.061	50	0		FBAAHM
COc1ccc(C(=O)N2CCN(C(=O)Cc3c[nH]c(=O)[n-]c3=O)CC2)cc1	ZINC000072479232	483730971	/nfs/dbraw/zinc/73/09/71/483730971.db2.gz	XZPIQCJYUDFHTF-UHFFFAOYSA-N	-1	3	372.381	-0.401	50	0		FBAAHM
Cc1nc2c(c(NC3CC3)n1)CCN(C(=O)C[C@H]1NC(=O)[N-]C1=O)CC2	ZINC000072480808	483730884	/nfs/dbraw/zinc/73/08/84/483730884.db2.gz	RVGYTBNIUXBZMM-CYBMUJFWSA-N	-1	3	358.402	-0.115	50	0		FBAAHM
Cc1nc2c(c(NC3CC3)n1)CCN(C(=O)C[C@@H]1NC(=O)[N-]C1=O)CC2	ZINC000072480809	483730851	/nfs/dbraw/zinc/73/08/51/483730851.db2.gz	RVGYTBNIUXBZMM-ZDUSSCGKSA-N	-1	3	358.402	-0.115	50	0		FBAAHM
O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000077320262	483744504	/nfs/dbraw/zinc/74/45/04/483744504.db2.gz	OUXQNVFYACOMKQ-UHFFFAOYSA-N	-1	3	364.383	-0.378	50	0		FBAAHM
COc1ccc(CN2CCN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)CC2=O)cc1	ZINC000077320327	483744474	/nfs/dbraw/zinc/74/44/74/483744474.db2.gz	UMWNGJGYYYIKLC-CQSZACIVSA-N	-1	3	374.397	-0.146	50	0		FBAAHM
COc1ccc(CN2CCN(C(=O)CC[C@@H]3NC(=O)[N-]C3=O)CC2=O)cc1	ZINC000077320330	483744587	/nfs/dbraw/zinc/74/45/87/483744587.db2.gz	UMWNGJGYYYIKLC-AWEZNQCLSA-N	-1	3	374.397	-0.146	50	0		FBAAHM
COCC(=O)N1CCN(C(=O)c2ccc([O-])cc2)[C@H]2CS(=O)(=O)C[C@H]21	ZINC000077378464	221615625	/nfs/dbraw/zinc/61/56/25/221615625.db2.gz	NMXYDYPKONYBHP-KGLIPLIRSA-N	-1	3	368.411	-0.511	50	0		FBAAHM
Cc1ncc(CC(=O)NC[C@@H]2CCN(c3cnn(C)c(=O)c3)C2)c(=O)[n-]1	ZINC000077391993	483745286	/nfs/dbraw/zinc/74/52/86/483745286.db2.gz	LGOIHLTWSQOAQT-LBPRGKRZSA-N	-1	3	358.402	-0.643	50	0		FBAAHM
Cc1ncc(CC(=O)NC[C@H]2CCN(c3cnn(C)c(=O)c3)C2)c(=O)[n-]1	ZINC000077391998	483745656	/nfs/dbraw/zinc/74/56/56/483745656.db2.gz	LGOIHLTWSQOAQT-GFCCVEGCSA-N	-1	3	358.402	-0.643	50	0		FBAAHM
CN(C)C(=O)N1CCN(C(=O)c2ccccc2[O-])[C@H]2CS(=O)(=O)C[C@H]21	ZINC000077406842	205597714	/nfs/dbraw/zinc/59/77/14/205597714.db2.gz	BOPKDSSWWVITGS-QWHCGFSZSA-N	-1	3	367.427	-0.003	50	0		FBAAHM
Cc1ncc(CC(=O)N2CCC[C@]3(CCC(=O)N(CCO)C3)C2)c(=O)[n-]1	ZINC000077440021	483745929	/nfs/dbraw/zinc/74/59/29/483745929.db2.gz	BYYCFHQPDYDNJB-SFHVURJKSA-N	-1	3	362.430	-0.156	50	0		FBAAHM
Cc1ncc(CC(=O)N2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)c(=O)[n-]1	ZINC000077440023	483746487	/nfs/dbraw/zinc/74/64/87/483746487.db2.gz	BYYCFHQPDYDNJB-GOSISDBHSA-N	-1	3	362.430	-0.156	50	0		FBAAHM
COc1ccc(N2CCN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)CC2=O)cc1	ZINC000077456103	536679515	/nfs/dbraw/zinc/67/95/15/536679515.db2.gz	ZVCJZPORVXBRNM-CYBMUJFWSA-N	-1	3	360.370	-0.141	50	0		FBAAHM
COc1ccc(N2CCN(C(=O)CC[C@@H]3NC(=O)[N-]C3=O)CC2=O)cc1	ZINC000077456105	536678278	/nfs/dbraw/zinc/67/82/78/536678278.db2.gz	ZVCJZPORVXBRNM-ZDUSSCGKSA-N	-1	3	360.370	-0.141	50	0		FBAAHM
COCCN1C[C@@]2(CCCN(C(=O)c3c[nH]c(=O)[n-]c3=O)C2)CCC1=O	ZINC000077470968	483745907	/nfs/dbraw/zinc/74/59/07/483745907.db2.gz	NFEFBCNQIAZXGC-QGZVFWFLSA-N	-1	3	364.402	-0.446	50	0		FBAAHM
COCCN1C[C@]2(CCCN(C(=O)c3c[nH]c(=O)[n-]c3=O)C2)CCC1=O	ZINC000077470969	483746527	/nfs/dbraw/zinc/74/65/27/483746527.db2.gz	NFEFBCNQIAZXGC-KRWDZBQOSA-N	-1	3	364.402	-0.446	50	0		FBAAHM
COc1ccc(N2C[C@@H](C)N(C(=O)c3c[nH]c(=O)[n-]c3=O)CC2=O)cc1	ZINC000077505270	536708086	/nfs/dbraw/zinc/70/80/86/536708086.db2.gz	BWBUMNFXUIQBDP-SNVBAGLBSA-N	-1	3	358.354	-0.051	50	0		FBAAHM
COc1ccc(N2C[C@H](C)N(C(=O)c3c[nH]c(=O)[n-]c3=O)CC2=O)cc1	ZINC000077505271	132187996	/nfs/dbraw/zinc/18/79/96/132187996.db2.gz	BWBUMNFXUIQBDP-JTQLQIEISA-N	-1	3	358.354	-0.051	50	0		FBAAHM
CN(C)C(=O)N1CCN(C(=O)c2cccc([O-])c2)[C@H]2CS(=O)(=O)C[C@H]21	ZINC000077505523	483746989	/nfs/dbraw/zinc/74/69/89/483746989.db2.gz	HRTLEJAUBCMRQN-UONOGXRCSA-N	-1	3	367.427	-0.003	50	0		FBAAHM
CC(C)NC(=O)CCc1cc2n(n1)CCN(Cc1cc(=O)[n-]c(=O)[nH]1)C2	ZINC000082136840	519704077	/nfs/dbraw/zinc/70/40/77/519704077.db2.gz	HKNHNEZFXKELMI-UHFFFAOYSA-N	-1	3	360.418	-0.267	50	0		FBAAHM
CSc1nnc(CC2CCN(C(=O)C[C@H]3NC(=O)[N-]C3=O)CC2)n1C	ZINC000082157418	526227315	/nfs/dbraw/zinc/22/73/15/526227315.db2.gz	SZQULUQPSIARNS-SNVBAGLBSA-N	-1	3	366.447	-0.084	50	0		FBAAHM
CSc1nnc(CC2CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2)n1C	ZINC000082157419	526227128	/nfs/dbraw/zinc/22/71/28/526227128.db2.gz	SZQULUQPSIARNS-JTQLQIEISA-N	-1	3	366.447	-0.084	50	0		FBAAHM
COc1ccccc1N1CCN(C(=O)Cc2c[nH]c(=O)[n-]c2=O)CC1=O	ZINC000082170777	132198020	/nfs/dbraw/zinc/19/80/20/132198020.db2.gz	GVWCKWBFVTVSMG-UHFFFAOYSA-N	-1	3	358.354	-0.510	50	0		FBAAHM
Cc1cccc2nc(CNC(=O)C[N-]S(=O)(=O)c3cn(C)cn3)cn21	ZINC000088588677	243128747	/nfs/dbraw/zinc/12/87/47/243128747.db2.gz	MTYZAVXRLKNEMK-UHFFFAOYSA-N	-1	3	362.415	-0.029	50	0		FBAAHM
Cc1nnc2ccc(N3CCN(CCCOC(=O)[N-]C(N)=O)CC3)nn12	ZINC000089740948	526413491	/nfs/dbraw/zinc/41/34/91/526413491.db2.gz	QHHAOIOCFIKJIA-UHFFFAOYSA-N	-1	3	362.394	-0.250	50	0		FBAAHM
Cc1nnc2ccc(N3CCN(CCCOC(=O)N=C(N)[O-])CC3)nn12	ZINC000089740948	526413486	/nfs/dbraw/zinc/41/34/86/526413486.db2.gz	QHHAOIOCFIKJIA-UHFFFAOYSA-N	-1	3	362.394	-0.250	50	0		FBAAHM
Cc1nnc2ccc(N3CCN(CCCOC([O-])=NC(N)=O)CC3)nn12	ZINC000089740948	526413482	/nfs/dbraw/zinc/41/34/82/526413482.db2.gz	QHHAOIOCFIKJIA-UHFFFAOYSA-N	-1	3	362.394	-0.250	50	0		FBAAHM
Cc1ncc(CC(=O)N[C@H]2CN(S(C)(=O)=O)C[C@@H]2C(C)C)c(=O)[n-]1	ZINC000091269804	483794077	/nfs/dbraw/zinc/79/40/77/483794077.db2.gz	AKWLNXZQYNSVNJ-OLZOCXBDSA-N	-1	3	356.448	-0.347	50	0		FBAAHM
CC(C)N1CCC[C@]2(CCN(S(=O)(=O)c3c[nH]c(=O)[n-]c3=O)C2)C1=O	ZINC000091382259	483794558	/nfs/dbraw/zinc/79/45/58/483794558.db2.gz	VDTABKCZDMLSQS-OAHLLOKOSA-N	-1	3	370.431	-0.113	50	0		FBAAHM
CC(C)N1CCC[C@@]2(CCN(S(=O)(=O)c3c[nH]c(=O)[n-]c3=O)C2)C1=O	ZINC000091382260	221755451	/nfs/dbraw/zinc/75/54/51/221755451.db2.gz	VDTABKCZDMLSQS-HNNXBMFYSA-N	-1	3	370.431	-0.113	50	0		FBAAHM
CN1CCN(C[C@@H]2CN(C(=O)CCc3cc(=O)[n-]o3)C[C@@H]2CO)CC1	ZINC000091410602	523904437	/nfs/dbraw/zinc/90/44/37/523904437.db2.gz	RUEJZMSLKKKLKW-ZIAGYGMSSA-N	-1	3	352.435	-0.373	50	0		FBAAHM
CN(C)S(=O)(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@@]2(C(=O)[O-])C1	ZINC000091416645	483794650	/nfs/dbraw/zinc/79/46/50/483794650.db2.gz	KTMVEMSKWVLBKT-UKRRQHHQSA-N	-1	3	354.432	-0.294	50	0		FBAAHM
COCCN1CCC[C@]2(CCN(C(=O)c3cn(C)c(=O)[n-]c3=O)C2)C1=O	ZINC000091426824	483794731	/nfs/dbraw/zinc/79/47/31/483794731.db2.gz	HCDFHZSRDNHJRR-QGZVFWFLSA-N	-1	3	364.402	-0.825	50	0		FBAAHM
COCCN1CCC[C@@]2(CCN(C(=O)c3cn(C)c(=O)[n-]c3=O)C2)C1=O	ZINC000091426828	483794514	/nfs/dbraw/zinc/79/45/14/483794514.db2.gz	HCDFHZSRDNHJRR-KRWDZBQOSA-N	-1	3	364.402	-0.825	50	0		FBAAHM
COc1cccc(CN2CCN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)CC2=O)c1	ZINC000091441589	525941990	/nfs/dbraw/zinc/94/19/90/525941990.db2.gz	GEWNWGHOVNYZNG-CQSZACIVSA-N	-1	3	374.397	-0.146	50	0		FBAAHM
COc1cccc(CN2CCN(C(=O)CC[C@@H]3NC(=O)[N-]C3=O)CC2=O)c1	ZINC000091441591	525942270	/nfs/dbraw/zinc/94/22/70/525942270.db2.gz	GEWNWGHOVNYZNG-AWEZNQCLSA-N	-1	3	374.397	-0.146	50	0		FBAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)N1CCC2(CCC(=O)N(C3CC3)C2)CC1	ZINC000091468279	483794581	/nfs/dbraw/zinc/79/45/81/483794581.db2.gz	BHPLDTXNJKZHJM-UHFFFAOYSA-N	-1	3	360.414	-0.001	50	0		FBAAHM
Cn1cc(C(=O)N2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)c(=O)[n-]c1=O	ZINC000091469067	483794307	/nfs/dbraw/zinc/79/43/07/483794307.db2.gz	KOHJKUHAOOQUFD-GOSISDBHSA-N	-1	3	360.414	-0.062	50	0		FBAAHM
Cn1cc(C(=O)N2CC[C@]3(C2)CCCN(CC2CC2)C3=O)c(=O)[n-]c1=O	ZINC000091469068	483794295	/nfs/dbraw/zinc/79/42/95/483794295.db2.gz	KOHJKUHAOOQUFD-SFHVURJKSA-N	-1	3	360.414	-0.062	50	0		FBAAHM
O=C(CC[C@H]1NC(=O)NC1=O)N1CCc2c(=O)[n-]c(CC3CC3)nc2C1	ZINC000091486077	526575573	/nfs/dbraw/zinc/57/55/73/526575573.db2.gz	SDDWOMMDXQKYPN-LLVKDONJSA-N	-1	3	359.386	-0.405	50	0		FBAAHM
O=C(CC[C@@H]1NC(=O)NC1=O)N1CCc2c(=O)[n-]c(CC3CC3)nc2C1	ZINC000091486079	526563327	/nfs/dbraw/zinc/56/33/27/526563327.db2.gz	SDDWOMMDXQKYPN-NSHDSACASA-N	-1	3	359.386	-0.405	50	0		FBAAHM
COCCN1CCC[C@]2(CCN(C(=O)Cc3c[nH]c(=O)[n-]c3=O)C2)C1=O	ZINC000091616616	523837741	/nfs/dbraw/zinc/83/77/41/523837741.db2.gz	XZNFKXJJXBKQGN-QGZVFWFLSA-N	-1	3	364.402	-0.907	50	0		FBAAHM
COCCN1CCC[C@@]2(CCN(C(=O)Cc3c[nH]c(=O)[n-]c3=O)C2)C1=O	ZINC000091616617	205682250	/nfs/dbraw/zinc/68/22/50/205682250.db2.gz	XZNFKXJJXBKQGN-KRWDZBQOSA-N	-1	3	364.402	-0.907	50	0		FBAAHM
Cc1nccnc1N1C[C@H](NC(=O)CN2CC(=O)[N-]C2=O)[C@@H](C2CC2)C1	ZINC000091624919	483795436	/nfs/dbraw/zinc/79/54/36/483795436.db2.gz	DUXURIJHFOCUNJ-OLZOCXBDSA-N	-1	3	358.402	-0.332	50	0		FBAAHM
Cc1cc(=O)[n-]c(CCNC(=O)c2cc(S(N)(=O)=O)ccc2F)n1	ZINC000091625069	526119174	/nfs/dbraw/zinc/11/91/74/526119174.db2.gz	AXJHRSNPLWEEFX-UHFFFAOYSA-N	-1	3	354.363	-0.163	50	0		FBAAHM
Cc1nc(C2CCN(C(=O)[C@@H]3CCCN(CC(N)=O)C3)CC2)cc(=O)[n-]1	ZINC000091637017	483795215	/nfs/dbraw/zinc/79/52/15/483795215.db2.gz	UKQTUOQEBFSEQC-CQSZACIVSA-N	-1	3	361.446	-0.018	50	0		FBAAHM
Cc1nc(C2CCN(C(=O)[C@H]3CCCN(CC(N)=O)C3)CC2)cc(=O)[n-]1	ZINC000091637019	526779253	/nfs/dbraw/zinc/77/92/53/526779253.db2.gz	UKQTUOQEBFSEQC-AWEZNQCLSA-N	-1	3	361.446	-0.018	50	0		FBAAHM
Cc1nc(CN2C[C@H](NS(=O)(=O)N(C)C)[C@@H](C3CC3)C2)cc(=O)[n-]1	ZINC000091644443	483795188	/nfs/dbraw/zinc/79/51/88/483795188.db2.gz	AZXSAFZYHFUJBO-KGLIPLIRSA-N	-1	3	355.464	-0.315	50	0		FBAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)N1CC[C@@]2(C1)CCCN(CC1CC1)C2=O	ZINC000091645001	527200183	/nfs/dbraw/zinc/20/01/83/527200183.db2.gz	XBALLOXHSDCVJP-GOSISDBHSA-N	-1	3	360.414	-0.143	50	0		FBAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)N1CC[C@]2(C1)CCCN(CC1CC1)C2=O	ZINC000091645002	527199892	/nfs/dbraw/zinc/19/98/92/527199892.db2.gz	XBALLOXHSDCVJP-SFHVURJKSA-N	-1	3	360.414	-0.143	50	0		FBAAHM
O=C([O-])CN1CC2(CCC1=O)CCN(C(=O)C[C@@H]1CNCCO1)CC2	ZINC000091646169	483795021	/nfs/dbraw/zinc/79/50/21/483795021.db2.gz	VKUWXSHQFUDQLB-CYBMUJFWSA-N	-1	3	353.419	-0.319	50	0		FBAAHM
O=C([O-])CN1CC2(CCC1=O)CCN(C(=O)C[C@H]1CNCCO1)CC2	ZINC000091646170	483794975	/nfs/dbraw/zinc/79/49/75/483794975.db2.gz	VKUWXSHQFUDQLB-ZDUSSCGKSA-N	-1	3	353.419	-0.319	50	0		FBAAHM
CCN1CCc2nc[nH]c2C12CCN(C(=O)Cc1c[nH]c(=O)[n-]c1=O)CC2	ZINC000091655912	483796119	/nfs/dbraw/zinc/79/61/19/483796119.db2.gz	CTLGNSDCNGFWEU-UHFFFAOYSA-N	-1	3	372.429	-0.275	50	0		FBAAHM
COCCN1CCC[C@]2(CCN(C(=O)c3cc(=O)[n-]c(=O)[nH]3)C2)C1=O	ZINC000091689965	483796068	/nfs/dbraw/zinc/79/60/68/483796068.db2.gz	DSXKQYHZMGFCOY-MRXNPFEDSA-N	-1	3	350.375	-0.423	50	0		FBAAHM
COCCN1CCC[C@@]2(CCN(C(=O)c3cc(=O)[n-]c(=O)[nH]3)C2)C1=O	ZINC000091689967	483795607	/nfs/dbraw/zinc/79/56/07/483795607.db2.gz	DSXKQYHZMGFCOY-INIZCTEOSA-N	-1	3	350.375	-0.423	50	0		FBAAHM
C[C@@H]1CN(C(=O)Cc2c[nH]c(=O)[n-]c2=O)CC[C@@]1(O)C1CCOCC1	ZINC000091694117	483795706	/nfs/dbraw/zinc/79/57/06/483795706.db2.gz	TYJYIAFKMHVABE-DIFFPNOSSA-N	-1	3	351.403	-0.368	50	0		FBAAHM
Cc1ncc(CC(=O)N2CCC3(CCC(=O)N(CCO)C3)CC2)c(=O)[n-]1	ZINC000091737087	483796157	/nfs/dbraw/zinc/79/61/57/483796157.db2.gz	DUMNPDQWPITHIQ-UHFFFAOYSA-N	-1	3	362.430	-0.156	50	0		FBAAHM
C[C@@H]1CN(C(=O)c2cn(C)c(=O)[n-]c2=O)CC[C@@]1(O)C1CCOCC1	ZINC000091755321	483795776	/nfs/dbraw/zinc/79/57/76/483795776.db2.gz	LXODMVUDQQEOEU-DIFFPNOSSA-N	-1	3	351.403	-0.287	50	0		FBAAHM
CCCN1CCC[C@]2(CCN(S(=O)(=O)c3c[nH]c(=O)[n-]c3=O)C2)C1=O	ZINC000091770458	483796840	/nfs/dbraw/zinc/79/68/40/483796840.db2.gz	VHIXMJVDEHRPFF-OAHLLOKOSA-N	-1	3	370.431	-0.111	50	0		FBAAHM
CCCN1CCC[C@@]2(CCN(S(=O)(=O)c3c[nH]c(=O)[n-]c3=O)C2)C1=O	ZINC000091770460	483796526	/nfs/dbraw/zinc/79/65/26/483796526.db2.gz	VHIXMJVDEHRPFF-HNNXBMFYSA-N	-1	3	370.431	-0.111	50	0		FBAAHM
O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CN(Cc2cccnc2)C[C@@H]1C1CC1	ZINC000091780740	483796444	/nfs/dbraw/zinc/79/64/44/483796444.db2.gz	KCCXXPKJYRNSDC-CABCVRRESA-N	-1	3	357.414	-0.040	50	0		FBAAHM
COCCN1C[C@@]2(CCCN(C(=O)CN3CC(=O)[N-]C3=O)C2)CCC1=O	ZINC000091792947	483797003	/nfs/dbraw/zinc/79/70/03/483797003.db2.gz	QEYUJBDOKHZXHR-KRWDZBQOSA-N	-1	3	366.418	-0.584	50	0		FBAAHM
COCCN1C[C@]2(CCCN(C(=O)CN3CC(=O)[N-]C3=O)C2)CCC1=O	ZINC000091792950	483796990	/nfs/dbraw/zinc/79/69/90/483796990.db2.gz	QEYUJBDOKHZXHR-QGZVFWFLSA-N	-1	3	366.418	-0.584	50	0		FBAAHM
Cc1cc(N2C[C@H](NC(=O)CN3CC(=O)[N-]C3=O)[C@@H](C3CC3)C2)ncn1	ZINC000091794113	483796636	/nfs/dbraw/zinc/79/66/36/483796636.db2.gz	WIXQTQBYXJFQMW-OLZOCXBDSA-N	-1	3	358.402	-0.332	50	0		FBAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCN(Cc2ccccc2CO)CC1	ZINC000091818578	483796797	/nfs/dbraw/zinc/79/67/97/483796797.db2.gz	MWJNWJGWBGHHOO-OAHLLOKOSA-N	-1	3	360.414	-0.189	50	0		FBAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCN(Cc2ccccc2CO)CC1	ZINC000091818581	483796875	/nfs/dbraw/zinc/79/68/75/483796875.db2.gz	MWJNWJGWBGHHOO-HNNXBMFYSA-N	-1	3	360.414	-0.189	50	0		FBAAHM
Cc1ncc(C(=O)N2C[C@H](CO)C[C@H](CN3CCOCC3)C2)c(=O)[n-]1	ZINC000091848146	483796594	/nfs/dbraw/zinc/79/65/94/483796594.db2.gz	AAHUOTJQWJQADU-ZIAGYGMSSA-N	-1	3	350.419	-0.519	50	0		FBAAHM
Cn1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(c2cnccn2)C3)c(=O)[n-]c1=O	ZINC000091848966	483797031	/nfs/dbraw/zinc/79/70/31/483797031.db2.gz	BHRDQJFPYOULTA-NWDGAFQWSA-N	-1	3	356.386	-0.395	50	0		FBAAHM
COCCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1nc3c(cnn3C)c(=O)[n-]1)C2	ZINC000091914925	209003252	/nfs/dbraw/zinc/00/32/52/209003252.db2.gz	QTUJVUBEDXWFNC-NWDGAFQWSA-N	-1	3	360.418	-0.274	50	0		FBAAHM
O=C(NCCOCCO)c1ccc(S(=O)(=O)[N-]CC(F)F)cc1	ZINC000091951394	483797407	/nfs/dbraw/zinc/79/74/07/483797407.db2.gz	SPOOOYCKGJKRRP-UHFFFAOYSA-N	-1	3	352.359	-0.031	50	0		FBAAHM
CN(C)S(=O)(=O)c1ccc(CNC(=O)CC[C@H]2NC(=O)[N-]C2=O)cc1	ZINC000091965115	209007530	/nfs/dbraw/zinc/00/75/30/209007530.db2.gz	UORFWAZHEUFMSK-GFCCVEGCSA-N	-1	3	368.415	-0.459	50	0		FBAAHM
CN(C)S(=O)(=O)c1ccc(CNC(=O)CC[C@@H]2NC(=O)[N-]C2=O)cc1	ZINC000091965116	483797704	/nfs/dbraw/zinc/79/77/04/483797704.db2.gz	UORFWAZHEUFMSK-LBPRGKRZSA-N	-1	3	368.415	-0.459	50	0		FBAAHM
Cc1nc(CCNC(=O)c2cc(S(N)(=O)=O)ccc2F)cc(=O)[n-]1	ZINC000091986708	483797765	/nfs/dbraw/zinc/79/77/65/483797765.db2.gz	IREXQPCWQQWJMK-UHFFFAOYSA-N	-1	3	354.363	-0.163	50	0		FBAAHM
CC(C)[C@H]1CN(CCS(C)(=O)=O)C[C@@H]1NC(=O)c1cnc[n-]c1=O	ZINC000092001497	483797449	/nfs/dbraw/zinc/79/74/49/483797449.db2.gz	ZSUAFIJCQCQZOI-OLZOCXBDSA-N	-1	3	356.448	-0.499	50	0		FBAAHM
NC(=O)CN1CCC[C@H](C(=O)N2CCc3c(nc(CC4CC4)[n-]c3=O)C2)C1	ZINC000092020603	483797350	/nfs/dbraw/zinc/79/73/50/483797350.db2.gz	NTDCLHRVPRCSOS-ZDUSSCGKSA-N	-1	3	373.457	-0.196	50	0		FBAAHM
NC(=O)CN1CCC[C@@H](C(=O)N2CCc3c(nc(CC4CC4)[n-]c3=O)C2)C1	ZINC000092020607	483797314	/nfs/dbraw/zinc/79/73/14/483797314.db2.gz	NTDCLHRVPRCSOS-CYBMUJFWSA-N	-1	3	373.457	-0.196	50	0		FBAAHM
COc1ccc([C@@H]2CN(C(=O)c3cc(=O)[n-]c(=O)[nH]3)C[C@H]2NC(C)=O)cc1	ZINC000092046242	483797694	/nfs/dbraw/zinc/79/76/94/483797694.db2.gz	IXZGGUJSCAGTRB-DZGCQCFKSA-N	-1	3	372.381	-0.184	50	0		FBAAHM
CCC[C@H]1CN(C(=O)Cc2cnc(C)[n-]c2=O)C[C@@H]1NS(C)(=O)=O	ZINC000092066276	483797377	/nfs/dbraw/zinc/79/73/77/483797377.db2.gz	SRAUIRCDXQSSHB-AAEUAGOBSA-N	-1	3	356.448	-0.203	50	0		FBAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)c2cc(S(N)(=O)=O)ccc2F)n1	ZINC000092066336	483797354	/nfs/dbraw/zinc/79/73/54/483797354.db2.gz	SLUFFWDITUCRPA-UHFFFAOYSA-N	-1	3	369.378	-0.293	50	0		FBAAHM
COCCN1C[C@@H]2CN(S(=O)(=O)c3cnn(C)c3)C[C@]2(C(=O)[O-])C1	ZINC000092096805	483798313	/nfs/dbraw/zinc/79/83/13/483798313.db2.gz	UNYLVKMOVVZFKP-BXUZGUMPSA-N	-1	3	358.420	-0.926	50	0		FBAAHM
O=C1[N-]C(=O)[C@@H](Cc2nc(Cn3cncn3)nn2CCc2ccccc2)N1	ZINC000095352823	483821961	/nfs/dbraw/zinc/82/19/61/483821961.db2.gz	XLCQWAWLZKHFBL-CYBMUJFWSA-N	-1	3	366.385	-0.089	50	0		FBAAHM
O=C1[N-]C(=O)[C@H](Cc2nc(Cn3cncn3)nn2CCc2ccccc2)N1	ZINC000095352824	483822231	/nfs/dbraw/zinc/82/22/31/483822231.db2.gz	XLCQWAWLZKHFBL-ZDUSSCGKSA-N	-1	3	366.385	-0.089	50	0		FBAAHM
Cc1cn(CC(=O)N2CCC(c3cc(=O)[n-]c(C)n3)CC2)c(=O)[nH]c1=O	ZINC000095361248	209027642	/nfs/dbraw/zinc/02/76/42/209027642.db2.gz	IIFVYTSLLWIIRJ-UHFFFAOYSA-N	-1	3	359.386	-0.357	50	0		FBAAHM
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CS(=O)(=O)N1CCCN(C(=O)c2ccccc2-c2nn[n-]n2)CC1	ZINC000097696168	483830423	/nfs/dbraw/zinc/83/04/23/483830423.db2.gz	DOKANNAJVVPXMX-UHFFFAOYSA-N	-1	3	350.404	-0.026	50	0		FBAAHM
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CS(=O)(=O)N1CCO[C@@H](CNC(=O)c2ccccc2-c2nnn[n-]2)C1	ZINC000097713685	222207843	/nfs/dbraw/zinc/20/78/43/222207843.db2.gz	QVPYXEUIVVZXCM-JTQLQIEISA-N	-1	3	366.403	-0.743	50	0		FBAAHM
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CCOC(=O)c1cnc(SCc2cc(=O)n3nc(N)[n-]c3n2)nc1N	ZINC000103838174	209256730	/nfs/dbraw/zinc/25/67/30/209256730.db2.gz	BSJFDQYAABBDTB-UHFFFAOYSA-N	-1	3	362.375	-0.159	50	0		FBAAHM
COC(=O)C(=O)C(C(=O)c1ccc(F)cc1)=c1[n-]c2nnc(N)n2c1=O	ZINC000104247207	484523045	/nfs/dbraw/zinc/52/30/45/484523045.db2.gz	NXNFHYPVQAYBOE-QMMMGPOBSA-N	-1	3	359.273	-0.033	50	0		FBAAHM
COC(=O)C(=O)C(C(=O)c1ccc(F)cc1)=c1[n-]c2nnc(N)n2c1=O	ZINC000104247211	484522332	/nfs/dbraw/zinc/52/23/32/484522332.db2.gz	NXNFHYPVQAYBOE-MRVPVSSYSA-N	-1	3	359.273	-0.033	50	0		FBAAHM
CC(C)(C)C(=O)OC[C@@H]1O[C@H](n2cnc3c2nc[n-]c3=O)[C@H](O)[C@H]1O	ZINC000105729575	209268244	/nfs/dbraw/zinc/26/82/44/209268244.db2.gz	KLHDQKZATPWXHO-OIORRXCASA-N	-1	3	352.347	-0.672	50	0		FBAAHM
CC(C)(C)C(=O)OC[C@@H]1O[C@H](n2cnc3c2nc[n-]c3=O)[C@@H](O)[C@H]1O	ZINC000105729578	222374251	/nfs/dbraw/zinc/37/42/51/222374251.db2.gz	KLHDQKZATPWXHO-PYSAPBNWSA-N	-1	3	352.347	-0.672	50	0		FBAAHM
CC(C)(C)C(=O)OC[C@@H]1O[C@H](n2cnc3c2nc[n-]c3=O)[C@H](O)[C@@H]1O	ZINC000105729580	206008375	/nfs/dbraw/zinc/00/83/75/206008375.db2.gz	KLHDQKZATPWXHO-YTDXRRJTSA-N	-1	3	352.347	-0.672	50	0		FBAAHM
Cc1nnc(CN2CCN(C)[C@]3(C2)CCC(=O)N(CC(=O)[O-])CC3)o1	ZINC000107687051	206245540	/nfs/dbraw/zinc/24/55/40/206245540.db2.gz	FMFQWEUZHZQBCM-MRXNPFEDSA-N	-1	3	351.407	-0.039	50	0		FBAAHM
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C/C=C/C[C@@H]([N-]S(=O)(=O)CCNS(=O)(=O)CC)C(=O)OCC	ZINC000170599210	484591741	/nfs/dbraw/zinc/59/17/41/484591741.db2.gz	XJGLOEYQLWGQPA-TZOMUSMUSA-N	-1	3	356.466	-0.257	50	0		FBAAHM
C/C=C/C[C@H]([N-]S(=O)(=O)CCNS(=O)(=O)CC)C(=O)OCC	ZINC000170599211	484591913	/nfs/dbraw/zinc/59/19/13/484591913.db2.gz	XJGLOEYQLWGQPA-ZPMKCOPCSA-N	-1	3	356.466	-0.257	50	0		FBAAHM
CC(C)[C@@H]1CN(Cc2cc(=O)n3[n-]cnc3n2)C[C@H]1NS(C)(=O)=O	ZINC000204330304	839489961	/nfs/dbraw/zinc/48/99/61/839489961.db2.gz	FPJJTCMVJAROFL-NWDGAFQWSA-N	-1	3	354.436	-0.577	50	0		FBAAHM
Cn1cnc(S(=O)(=O)[N-]CCNS(=O)(=O)c2cccs2)c1	ZINC000206633994	206337711	/nfs/dbraw/zinc/33/77/11/206337711.db2.gz	QAWCMMLSONAYJW-UHFFFAOYSA-N	-1	3	350.447	-0.262	50	0		FBAAHM
Cc1nc(C)c(CC(=O)N2CCN(c3ncnc4nc[nH]c43)CC2)c(=O)[n-]1	ZINC000215240979	132269945	/nfs/dbraw/zinc/26/99/45/132269945.db2.gz	OHYULAZAKKGJQV-UHFFFAOYSA-N	-1	3	368.401	-0.056	50	0		FBAAHM
COc1cccc(N2CCN(C(=O)Cc3cc(=O)[n-]c(N)n3)CC2=O)c1	ZINC000215588878	132270302	/nfs/dbraw/zinc/27/03/02/132270302.db2.gz	AVCZAUSWDLXCGT-UHFFFAOYSA-N	-1	3	357.370	-0.221	50	0		FBAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)c2ccc(S(N)(=O)=O)cc2)n1	ZINC000215764967	483849106	/nfs/dbraw/zinc/84/91/06/483849106.db2.gz	HEDHZYVGDYMELM-UHFFFAOYSA-N	-1	3	351.388	-0.432	50	0		FBAAHM
CCCN1C(=O)N[C@@H](CC(=O)N2CCc3nc(C)[n-]c(=O)c3CC2)C1=O	ZINC000215928032	483850611	/nfs/dbraw/zinc/85/06/11/483850611.db2.gz	FLHDXGVOBRNAFQ-ZDUSSCGKSA-N	-1	3	361.402	-0.274	50	0		FBAAHM
CCCN1C(=O)N[C@H](CC(=O)N2CCc3nc(C)[n-]c(=O)c3CC2)C1=O	ZINC000215928071	222656525	/nfs/dbraw/zinc/65/65/25/222656525.db2.gz	FLHDXGVOBRNAFQ-CYBMUJFWSA-N	-1	3	361.402	-0.274	50	0		FBAAHM
Cc1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccc(S(N)(=O)=O)cc1)CC2	ZINC000216102272	483851555	/nfs/dbraw/zinc/85/15/55/483851555.db2.gz	YMPIUTOIOXKSKV-UHFFFAOYSA-N	-1	3	362.411	-0.033	50	0		FBAAHM
CC(C)C[N@H+]1C[C@H]2CN(C(=O)c3cn(C)c(=O)[n-]c3=O)C[C@@]2(C(=O)[O-])C1	ZINC000217902611	483860196	/nfs/dbraw/zinc/86/01/96/483860196.db2.gz	ULGXXFRSRZGNHE-GTNSWQLSSA-N	-1	3	364.402	-0.812	50	0		FBAAHM
CC(C)C[N@@H+]1C[C@H]2CN(C(=O)c3cn(C)c(=O)[n-]c3=O)C[C@@]2(C(=O)[O-])C1	ZINC000217902611	483860195	/nfs/dbraw/zinc/86/01/95/483860195.db2.gz	ULGXXFRSRZGNHE-GTNSWQLSSA-N	-1	3	364.402	-0.812	50	0		FBAAHM
CNS(=O)(=O)c1ccc(CCC(=O)N[C@H]2C[C@@H](C(=O)[O-])N(C)C2)cc1	ZINC000218765685	206374156	/nfs/dbraw/zinc/37/41/56/206374156.db2.gz	BIJWMAORXIPUBD-JSGCOSHPSA-N	-1	3	369.443	-0.199	50	0		FBAAHM
CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c[nH]nc1-n1cnnn1	ZINC000218901338	483863827	/nfs/dbraw/zinc/86/38/27/483863827.db2.gz	PFTKMTHNSXBXNB-UHFFFAOYSA-N	-1	3	351.334	-0.162	50	0		FBAAHM
CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c[nH]nc1-n1cnnn1	ZINC000218901338	483863825	/nfs/dbraw/zinc/86/38/25/483863825.db2.gz	PFTKMTHNSXBXNB-UHFFFAOYSA-N	-1	3	351.334	-0.162	50	0		FBAAHM
Cc1nc(C)c(CC(=O)N[C@@H]2CCOC[C@H]2OCC(=O)N(C)C)c(=O)[n-]1	ZINC000219035928	483864186	/nfs/dbraw/zinc/86/41/86/483864186.db2.gz	ZTIKSDGJRVKICS-ZIAGYGMSSA-N	-1	3	366.418	-0.692	50	0		FBAAHM
O=C(N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1)c1cc(=O)[n-]c(=O)[nH]1	ZINC000219047452	483864574	/nfs/dbraw/zinc/86/45/74/483864574.db2.gz	CDLDOKGQJGHVPE-ZIAGYGMSSA-N	-1	3	361.354	-0.478	50	0		FBAAHM
Cc1nc(C)c(CC(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)c(=O)[n-]1	ZINC000219155744	132273953	/nfs/dbraw/zinc/27/39/53/132273953.db2.gz	CAYCGZRDONDHPH-UHFFFAOYSA-N	-1	3	358.402	-0.628	50	0		FBAAHM
Cc1cc(N2CCN(C(=O)Cc3c(C)nc(C)[n-]c3=O)CC2)nc(N)n1	ZINC000219367348	132274383	/nfs/dbraw/zinc/27/43/83/132274383.db2.gz	VOUFMQJVFXOQPG-UHFFFAOYSA-N	-1	3	357.418	-0.041	50	0		FBAAHM
CC(C)(C)c1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC(N)=O)[n-]c(=O)n1	ZINC000219415000	483866762	/nfs/dbraw/zinc/86/67/62/483866762.db2.gz	BKFFWCKPOZIBGT-MNOVXSKESA-N	-1	3	352.391	-0.543	50	0		FBAAHM
CCO[C@@H]1COCC[C@H]1NC(=O)c1cc(C)nc2c1c(=O)[n-]c(=O)n2C	ZINC000219590401	483867534	/nfs/dbraw/zinc/86/75/34/483867534.db2.gz	RNXQEPQFBFDIQT-VXGBXAGGSA-N	-1	3	362.386	-0.146	50	0		FBAAHM
NC(=O)CO[C@H]1CCOC[C@H]1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000219700360	483867710	/nfs/dbraw/zinc/86/77/10/483867710.db2.gz	MBCJUDACXFAEAY-ZJUUUORDSA-N	-1	3	372.428	-0.371	50	0		FBAAHM
Cn1cc(C(=O)NCCc2csc(-c3cnccn3)n2)c(=O)[n-]c1=O	ZINC000219743415	483867666	/nfs/dbraw/zinc/86/76/66/483867666.db2.gz	OZLMZWMNISHHQR-UHFFFAOYSA-N	-1	3	358.383	-0.040	50	0		FBAAHM
CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(-c2nn[n-]n2)c1	ZINC000219877138	483868552	/nfs/dbraw/zinc/86/85/52/483868552.db2.gz	KMCMHIQHRSOZLO-LBPRGKRZSA-N	-1	3	350.404	-0.093	50	0		FBAAHM
CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(-c2nnn[n-]2)c1	ZINC000219877138	483868551	/nfs/dbraw/zinc/86/85/51/483868551.db2.gz	KMCMHIQHRSOZLO-LBPRGKRZSA-N	-1	3	350.404	-0.093	50	0		FBAAHM
Cc1nc2c(c(=O)n1C)CN(C(=O)C[N-]S(=O)(=O)c1cccs1)C2	ZINC000219960393	483869081	/nfs/dbraw/zinc/86/90/81/483869081.db2.gz	PPXRQKHMBWMHDR-UHFFFAOYSA-N	-1	3	368.440	-0.029	50	0		FBAAHM
Cc1cc(S(=O)(=O)NCC(=O)NCc2c[nH]c(=O)[n-]c2=O)ccc1F	ZINC000219979924	483869196	/nfs/dbraw/zinc/86/91/96/483869196.db2.gz	AACYFPOPVOGEAN-UHFFFAOYSA-N	-1	3	370.362	-0.895	50	0		FBAAHM
CC(C)Cc1cc(C(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)[n-]c(=O)n1	ZINC000220009997	483869684	/nfs/dbraw/zinc/86/96/84/483869684.db2.gz	XWTOVOXPDVMNOE-GJZGRUSLSA-N	-1	3	350.419	-0.514	50	0		FBAAHM
O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1	ZINC000220139732	206397798	/nfs/dbraw/zinc/39/77/98/206397798.db2.gz	WPOPYQOXVCIGMJ-ZIAGYGMSSA-N	-1	3	363.370	-0.617	50	0		FBAAHM
CN1CCN(Cc2ccc(C(=O)NCc3c[nH]c(=O)[n-]c3=O)cc2)CC1	ZINC000220506447	483872159	/nfs/dbraw/zinc/87/21/59/483872159.db2.gz	FCJLCNXQCNXVRG-UHFFFAOYSA-N	-1	3	357.414	-0.259	50	0		FBAAHM
Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)c1cc(=O)[n-]c(=O)[nH]1	ZINC000220562511	483873064	/nfs/dbraw/zinc/87/30/64/483873064.db2.gz	XBGGAVKTJLTFJI-OLZOCXBDSA-N	-1	3	364.358	-0.228	50	0		FBAAHM
Cn1nnnc1SCCNC(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000220594136	483873077	/nfs/dbraw/zinc/87/30/77/483873077.db2.gz	UVCUAIHWVCMVFO-UHFFFAOYSA-N	-1	3	362.462	-0.542	50	0		FBAAHM
Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2cn(C)c(=O)[n-]c2=O)cn1	ZINC000220690108	483873050	/nfs/dbraw/zinc/87/30/50/483873050.db2.gz	UZEQKTBWPWZSOV-KGLIPLIRSA-N	-1	3	360.370	-0.257	50	0		FBAAHM
CS(=O)(=O)NC1CCN(C(=O)c2cc(-n3cnnn3)ccc2[O-])CC1	ZINC000220739102	483873375	/nfs/dbraw/zinc/87/33/75/483873375.db2.gz	PTFCASKFKPLINB-UHFFFAOYSA-N	-1	3	366.403	-0.478	50	0		FBAAHM
CNS(=O)(=O)c1ccc(CCC(=O)NCc2c[nH]c(=O)[n-]c2=O)cc1	ZINC000221166139	483876300	/nfs/dbraw/zinc/87/63/00/483876300.db2.gz	NJFWRWCGQUEYQV-UHFFFAOYSA-N	-1	3	366.399	-0.780	50	0		FBAAHM
CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCn1ccc(=O)[nH]c1=O	ZINC000221217081	483877011	/nfs/dbraw/zinc/87/70/11/483877011.db2.gz	FKHDSLBJYAJCLA-UHFFFAOYSA-N	-1	3	355.358	-0.235	50	0		FBAAHM
CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCn1ccc(=O)[nH]c1=O	ZINC000221217081	483877009	/nfs/dbraw/zinc/87/70/09/483877009.db2.gz	FKHDSLBJYAJCLA-UHFFFAOYSA-N	-1	3	355.358	-0.235	50	0		FBAAHM
CN(C)C(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1ccccc1-c1nn[n-]n1	ZINC000221307015	483877978	/nfs/dbraw/zinc/87/79/78/483877978.db2.gz	ONLJREKZVBMSDS-KGLIPLIRSA-N	-1	3	374.401	-0.141	50	0		FBAAHM
CN(C)C(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1ccccc1-c1nnn[n-]1	ZINC000221307015	483877976	/nfs/dbraw/zinc/87/79/76/483877976.db2.gz	ONLJREKZVBMSDS-KGLIPLIRSA-N	-1	3	374.401	-0.141	50	0		FBAAHM
Cn1cc(C(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)c(=O)[n-]c1=O	ZINC000222279001	483882083	/nfs/dbraw/zinc/88/20/83/483882083.db2.gz	HKMFOYBRHAJAHR-ZIAGYGMSSA-N	-1	3	360.370	-0.427	50	0		FBAAHM
Nc1nc(N2CCN(C(=O)CCN3CCCCCC3=O)CC2)cc(=O)[n-]1	ZINC000222319822	132277148	/nfs/dbraw/zinc/27/71/48/132277148.db2.gz	YXEQSHBKYFDNNM-UHFFFAOYSA-N	-1	3	362.434	-0.207	50	0		FBAAHM
Cc1ccccc1OC[C@@H](O)C(=O)N1CCN(c2cc(=O)[n-]c(N)n2)CC1	ZINC000222529603	132276993	/nfs/dbraw/zinc/27/69/93/132276993.db2.gz	YYIMNGZHRGNXCN-CYBMUJFWSA-N	-1	3	373.413	-0.251	50	0		FBAAHM
Cc1ccccc1OC[C@H](O)C(=O)N1CCN(c2cc(=O)[n-]c(N)n2)CC1	ZINC000222529660	132277009	/nfs/dbraw/zinc/27/70/09/132277009.db2.gz	YYIMNGZHRGNXCN-ZDUSSCGKSA-N	-1	3	373.413	-0.251	50	0		FBAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)NCc1noc(-c2ccc3c(c2)OCO3)n1	ZINC000222724804	483883575	/nfs/dbraw/zinc/88/35/75/483883575.db2.gz	AYKZJWAGNLBAGU-UHFFFAOYSA-N	-1	3	371.309	-0.299	50	0		FBAAHM
O=C(N[C@@H]1COCC[C@@H]1OCCO)c1ccc(N2CC(=O)[N-]C2=O)cc1	ZINC000222867475	483884008	/nfs/dbraw/zinc/88/40/08/483884008.db2.gz	CDFIOFVQLQSCFT-KGLIPLIRSA-N	-1	3	363.370	-0.361	50	0		FBAAHM
NC(=O)c1csc(S(=O)(=O)[N-][C@@H]2COCC[C@@H]2OCCO)c1	ZINC000222899960	483884257	/nfs/dbraw/zinc/88/42/57/483884257.db2.gz	CNQJMJYYSACQSO-ZJUUUORDSA-N	-1	3	350.418	-0.708	50	0		FBAAHM
Nc1nc(N2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)cc(=O)[n-]1	ZINC000222901497	132277818	/nfs/dbraw/zinc/27/78/18/132277818.db2.gz	SLNCZCTURKWRSU-UHFFFAOYSA-N	-1	3	357.370	-0.028	50	0		FBAAHM
Cc1cc(=O)[n-]c(CCNC(=O)[C@@H]2Cc3ccccc3S(=O)(=O)N2)n1	ZINC000222957936	483884149	/nfs/dbraw/zinc/88/41/49/483884149.db2.gz	LULGLTSCABCWDD-LBPRGKRZSA-N	-1	3	362.411	-0.360	50	0		FBAAHM
Cc1cc(=O)[n-]c(CCNC(=O)[C@H]2Cc3ccccc3S(=O)(=O)N2)n1	ZINC000222957998	483884392	/nfs/dbraw/zinc/88/43/92/483884392.db2.gz	LULGLTSCABCWDD-GFCCVEGCSA-N	-1	3	362.411	-0.360	50	0		FBAAHM
Cn1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)c(=O)[n-]c1=O	ZINC000222969252	483884162	/nfs/dbraw/zinc/88/41/62/483884162.db2.gz	MHGPPOFBNCHQER-NEPJUHHUSA-N	-1	3	366.399	-0.366	50	0		FBAAHM
O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1cc(=O)[n-]c(=O)[nH]1	ZINC000222973593	483884353	/nfs/dbraw/zinc/88/43/53/483884353.db2.gz	QIHAEHNHXZXKDS-MWLCHTKSSA-N	-1	3	352.372	-0.376	50	0		FBAAHM
O=C(N[C@H]1COC[C@@H]1N1CCOCC1)c1cc(-n2cnnn2)ccc1[O-]	ZINC000223115556	483885374	/nfs/dbraw/zinc/88/53/74/483885374.db2.gz	YXWLREJHCYBKRB-KBPBESRZSA-N	-1	3	360.374	-0.803	50	0		FBAAHM
O=C(CN1CC(=O)[N-]C1=O)NCc1noc(-c2ccc3c(c2)OCO3)n1	ZINC000223626838	483887722	/nfs/dbraw/zinc/88/77/22/483887722.db2.gz	FXAJCTFIQTWBRL-UHFFFAOYSA-N	-1	3	359.298	-0.367	50	0		FBAAHM
O=C(N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1)c1cc(=O)[n-]c(=O)[nH]1	ZINC000223742173	483887981	/nfs/dbraw/zinc/88/79/81/483887981.db2.gz	MBBPXLBQLVHPLL-TZMCWYRMSA-N	-1	3	361.354	-0.478	50	0		FBAAHM
CC[C@@H](O)c1cc2n(n1)CCCN(S(=O)(=O)c1c[nH]c(=O)[n-]c1=O)C2	ZINC000223897871	483888874	/nfs/dbraw/zinc/88/88/74/483888874.db2.gz	ICAWJIZXHKJROQ-LLVKDONJSA-N	-1	3	369.403	-0.702	50	0		FBAAHM
CC[C@H](O)c1cc2n(n1)CCCN(S(=O)(=O)c1c[nH]c(=O)[n-]c1=O)C2	ZINC000223897918	483888677	/nfs/dbraw/zinc/88/86/77/483888677.db2.gz	ICAWJIZXHKJROQ-NSHDSACASA-N	-1	3	369.403	-0.702	50	0		FBAAHM
Cc1nn2c([n-]1)ncc(C(=O)N[C@@H]1CCOC[C@H]1OCCN(C)C)c2=O	ZINC000223919569	483888542	/nfs/dbraw/zinc/88/85/42/483888542.db2.gz	ADBBMAZKFWQMGQ-CHWSQXEVSA-N	-1	3	364.406	-0.808	50	0		FBAAHM
Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)CN1CC(=O)[N-]C1=O	ZINC000223933172	483888526	/nfs/dbraw/zinc/88/85/26/483888526.db2.gz	DVOXMWNMHOFXGQ-CHWSQXEVSA-N	-1	3	366.374	-0.366	50	0		FBAAHM
CC(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1[N-]S(=O)(=O)c1cc(C(N)=O)cs1	ZINC000223937289	483888565	/nfs/dbraw/zinc/88/85/65/483888565.db2.gz	GGTORDOIUQJCFZ-SASUGWTJSA-N	-1	3	359.429	-0.583	50	0		FBAAHM
Cn1ncc2cc(C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)cc([O-])c21	ZINC000225503608	483893149	/nfs/dbraw/zinc/89/31/49/483893149.db2.gz	BTQMEQBSCKIGFJ-UHFFFAOYSA-N	-1	3	371.397	-0.158	50	0		FBAAHM
O=C(CN1CCN(S(=O)(=O)c2ccc3n[n-]nc3c2)CC1)NC1CC1	ZINC000225833323	483894250	/nfs/dbraw/zinc/89/42/50/483894250.db2.gz	ROLCKTMJSKJBEL-UHFFFAOYSA-N	-1	3	364.431	-0.457	50	0		FBAAHM
O=C(CN1CCN(S(=O)(=O)c2ccc3[n-]nnc3c2)CC1)NC1CC1	ZINC000225833323	483894247	/nfs/dbraw/zinc/89/42/47/483894247.db2.gz	ROLCKTMJSKJBEL-UHFFFAOYSA-N	-1	3	364.431	-0.457	50	0		FBAAHM
O=C(CN1CCN(S(=O)(=O)c2ccc3nn[n-]c3c2)CC1)NC1CC1	ZINC000225833323	483894245	/nfs/dbraw/zinc/89/42/45/483894245.db2.gz	ROLCKTMJSKJBEL-UHFFFAOYSA-N	-1	3	364.431	-0.457	50	0		FBAAHM
CSCC[C@H](CO)NC(=O)CCc1c(C)[nH]c2cc(=O)[n-]n2c1=O	ZINC000230274171	484965817	/nfs/dbraw/zinc/96/58/17/484965817.db2.gz	PCXMXUHPEFMFAP-SNVBAGLBSA-N	-1	3	354.432	-0.213	50	0		FBAAHM
O=c1[n-]cnc2c1nc(N1CCCCC1)n2[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O	ZINC000239403049	527600714	/nfs/dbraw/zinc/60/07/14/527600714.db2.gz	RLJFXPQTJCNTCL-CBRVECNMSA-N	-1	3	351.363	-0.866	50	0		FBAAHM
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000239762465	524138533	/nfs/dbraw/zinc/13/85/33/524138533.db2.gz	CLMMLGXNUPUTCL-GRYCIOLGSA-N	-1	3	351.407	-0.373	50	0		FBAAHM
C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000239762467	524168947	/nfs/dbraw/zinc/16/89/47/524168947.db2.gz	CLMMLGXNUPUTCL-IJLUTSLNSA-N	-1	3	351.407	-0.373	50	0		FBAAHM
Cn1c(CO)nnc1[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(N)=O)cs2)C1	ZINC000244794593	206557341	/nfs/dbraw/zinc/55/73/41/206557341.db2.gz	QPRJQSVJCJYZGO-XWEPSHTISA-N	-1	3	371.444	-0.308	50	0		FBAAHM
CC1CCN(c2nc3c(nc[n-]c3=O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)CC1	ZINC000247849726	521047901	/nfs/dbraw/zinc/04/79/01/521047901.db2.gz	UONWPCCRGXTMPY-CKRXIKOQSA-N	-1	3	365.390	-0.620	50	0		FBAAHM
CC1CCN(c2nc3c(nc[n-]c3=O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)CC1	ZINC000247849730	521049187	/nfs/dbraw/zinc/04/91/87/521049187.db2.gz	UONWPCCRGXTMPY-JDTTZNEISA-N	-1	3	365.390	-0.620	50	0		FBAAHM
O=c1[n-]cnc2c1nc(NCc1ccccc1)n2[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O	ZINC000247873663	527599957	/nfs/dbraw/zinc/59/99/57/527599957.db2.gz	MVFAUQAGTQMVFP-VFFTVRQLSA-N	-1	3	373.369	-0.245	50	0		FBAAHM
Nc1nnnn1CC(=O)N[C@H]1C[C@@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1	ZINC000253535403	484239166	/nfs/dbraw/zinc/23/91/66/484239166.db2.gz	ORRGQOOUJOIVRL-AOOOYVTPSA-N	-1	3	359.394	-0.587	50	0		FBAAHM
O=C(Nc1c[nH]c(=O)[n-]c1=O)C1CN(c2cc(-n3cccn3)ncn2)C1	ZINC000253537678	571318793	/nfs/dbraw/zinc/31/87/93/571318793.db2.gz	GZTFGMCEVHVCIJ-UHFFFAOYSA-N	-1	3	354.330	-0.062	50	0		FBAAHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(=O)n(C)n2)C1	ZINC000257189716	660108566	/nfs/dbraw/zinc/10/85/66/660108566.db2.gz	NZSUABZBOXEHKV-LLVKDONJSA-N	-1	3	353.404	-0.058	50	0		FBAAHM
Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCN(c2ccc(=O)n(C)n2)C1	ZINC000257189717	658659092	/nfs/dbraw/zinc/65/90/92/658659092.db2.gz	NZSUABZBOXEHKV-NSHDSACASA-N	-1	3	353.404	-0.058	50	0		FBAAHM
CCNC(=O)N1CC[C@H](NC(=O)C[N-]S(=O)(=O)c2cccs2)C1	ZINC000268430134	483421903	/nfs/dbraw/zinc/42/19/03/483421903.db2.gz	CYTNQSSDZXZDNS-JTQLQIEISA-N	-1	3	360.461	-0.054	50	0		FBAAHM
CCNC(=O)N1CC[C@@H](NC(=O)C[N-]S(=O)(=O)c2cccs2)C1	ZINC000268430136	483421933	/nfs/dbraw/zinc/42/19/33/483421933.db2.gz	CYTNQSSDZXZDNS-SNVBAGLBSA-N	-1	3	360.461	-0.054	50	0		FBAAHM
COc1cccc(C(=O)N2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)c1[O-]	ZINC000299756223	483867562	/nfs/dbraw/zinc/86/75/62/483867562.db2.gz	DVOGEPXMTWEVKG-VXGBXAGGSA-N	-1	3	373.431	-0.628	50	0		FBAAHM
C[C@@H]1CN(C(=O)CN2C[C@H](CC(=O)[O-])[C@H](c3c[nH]nn3)C2)C[C@H](C)O1	ZINC000299756541	534304591	/nfs/dbraw/zinc/30/45/91/534304591.db2.gz	GOXXTRJFQPVGCM-QNWHQSFQSA-N	-1	3	351.407	-0.069	50	0		FBAAHM
C[C@@H]1CN(C(=O)CN2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)C[C@H](C)O1	ZINC000299756541	534304589	/nfs/dbraw/zinc/30/45/89/534304589.db2.gz	GOXXTRJFQPVGCM-QNWHQSFQSA-N	-1	3	351.407	-0.069	50	0		FBAAHM
Cc1nc(C)c(CC(=O)N2CCC3(CC2)N=C(N(C)C)NC3=O)c(=O)[n-]1	ZINC000299757170	223081093	/nfs/dbraw/zinc/08/10/93/223081093.db2.gz	IPFPLQSSXNBYRU-UHFFFAOYSA-N	-1	3	360.418	-0.250	50	0		FBAAHM
O=C(NCc1c[nH]c(=O)[n-]c1=O)C1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000299764181	223086946	/nfs/dbraw/zinc/08/69/46/223086946.db2.gz	XTCGJZKGGYWXMR-GFCCVEGCSA-N	-1	3	350.375	-0.078	50	0		FBAAHM
O=C(NCc1c[nH]c(=O)[n-]c1=O)C1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000299764182	483867850	/nfs/dbraw/zinc/86/78/50/483867850.db2.gz	XTCGJZKGGYWXMR-LBPRGKRZSA-N	-1	3	350.375	-0.078	50	0		FBAAHM
Cn1cc([C@@H]2CN(C(=O)C3(O)CCN(C)CC3)C[C@@H]2CC(=O)[O-])nn1	ZINC000299775845	659928322	/nfs/dbraw/zinc/92/83/22/659928322.db2.gz	LDZWZNPMYGEHIO-NWDGAFQWSA-N	-1	3	351.407	-0.712	50	0		FBAAHM
O=C(c1cc(-n2cnnn2)ccc1[O-])N1CC[C@@H]2OCc3cnnn3[C@H]2C1	ZINC000299777919	210022750	/nfs/dbraw/zinc/02/27/50/210022750.db2.gz	GAKODPIASDXKQH-ZFWWWQNUSA-N	-1	3	368.357	-0.055	50	0		FBAAHM
C[C@@H](NS(C)(=O)=O)C(=O)N1CCc2nc(N(C)C)[n-]c(=O)c2CC1	ZINC000299779214	533491357	/nfs/dbraw/zinc/49/13/57/533491357.db2.gz	UTVYHYRERMPVFY-SECBINFHSA-N	-1	3	357.436	-0.887	50	0		FBAAHM
C[C@H](NS(C)(=O)=O)C(=O)N1CCc2nc(N(C)C)[n-]c(=O)c2CC1	ZINC000299779223	223093826	/nfs/dbraw/zinc/09/38/26/223093826.db2.gz	UTVYHYRERMPVFY-VIFPVBQESA-N	-1	3	357.436	-0.887	50	0		FBAAHM
CN(C)c1nc2c(c(=O)[n-]1)CCN(C(=O)[C@H]1CCC(=O)NC(=O)N1)CC2	ZINC000299784571	483868466	/nfs/dbraw/zinc/86/84/66/483868466.db2.gz	XODLYDPRNLJUBS-LLVKDONJSA-N	-1	3	362.390	-0.836	50	0		FBAAHM
CN(C)c1nc2c(c(=O)[n-]1)CCN(C(=O)[C@@H]1CCC(=O)NC(=O)N1)CC2	ZINC000299784587	483868065	/nfs/dbraw/zinc/86/80/65/483868065.db2.gz	XODLYDPRNLJUBS-NSHDSACASA-N	-1	3	362.390	-0.836	50	0		FBAAHM
CN(C)S(=O)(=O)CCCN1C[C@H](CC(=O)[O-])[C@H](c2cn(C)nn2)C1	ZINC000299784702	210027238	/nfs/dbraw/zinc/02/72/38/210027238.db2.gz	UTNLYFSSTAJQFX-NWDGAFQWSA-N	-1	3	359.452	-0.413	50	0		FBAAHM
O=C(C[N-]S(=O)(=O)c1cccs1)N1CCN(c2nc[nH]n2)CC1	ZINC000299792190	210034033	/nfs/dbraw/zinc/03/40/33/210034033.db2.gz	FKVOJQYEYXXEKB-UHFFFAOYSA-N	-1	3	356.433	-0.507	50	0		FBAAHM
Cc1cn(CC(=O)N2CCc3c(nc(N(C)C)[n-]c3=O)C2)c(=O)[nH]c1=O	ZINC000299796569	483868455	/nfs/dbraw/zinc/86/84/55/483868455.db2.gz	OWBHVIREAXCDRQ-UHFFFAOYSA-N	-1	3	360.374	-0.596	50	0		FBAAHM
Cc1cc(C)n2nc(CC(=O)N3CCc4c(nc(N)[n-]c4=O)C3)nc2n1	ZINC000299798846	210038053	/nfs/dbraw/zinc/03/80/53/210038053.db2.gz	RSCPVHLRHHYQLI-UHFFFAOYSA-N	-1	3	354.374	-0.054	50	0		FBAAHM
Cc1cc(N2CCN(C(=O)c3cnc4cc(=O)[n-]n4c3C)CC2)nc(N)n1	ZINC000299800906	132300535	/nfs/dbraw/zinc/30/05/35/132300535.db2.gz	XAFOXGQKLNCCHG-UHFFFAOYSA-N	-1	3	368.401	-0.026	50	0		FBAAHM
Nc1nc2c(c(=O)[n-]1)CCN(C(=O)CN1CCN(c3ncccn3)CC1)C2	ZINC000299801465	132300603	/nfs/dbraw/zinc/30/06/03/132300603.db2.gz	YNJYZLTYQIMVLS-UHFFFAOYSA-N	-1	3	370.417	-0.739	50	0		FBAAHM
COc1cccc(C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)c1[O-]	ZINC000299801737	210040364	/nfs/dbraw/zinc/04/03/64/210040364.db2.gz	XHVRKABWDYFUFB-CHWSQXEVSA-N	-1	3	351.403	-0.346	50	0		FBAAHM
C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)NC(C)(C)CCO)ccc1F	ZINC000408519098	483880823	/nfs/dbraw/zinc/88/08/23/483880823.db2.gz	ZNZJQOPFMHXYKK-UHFFFAOYSA-N	-1	3	361.395	-0.051	50	0		FBAAHM
CCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)NCCc2nc(N)cc(=O)[n-]2)[C@@H]3C1=O	ZINC000426388130	485337225	/nfs/dbraw/zinc/33/72/25/485337225.db2.gz	HUWFOOQRZIVGRL-RCYJLBNCSA-N	-1	3	373.413	-0.385	50	0		FBAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)NC(C)(C)CN2CCOCC2)n1	ZINC000426420021	484365692	/nfs/dbraw/zinc/36/56/92/484365692.db2.gz	MLJVNJAZKZSXDV-UHFFFAOYSA-N	-1	3	352.439	0.313	50	0		FBAAHM
COc1cc(=O)n2c(c1C(=O)N1CCc3c(nc[n-]c3=O)C1)CCNCC2	ZINC000426434478	483911599	/nfs/dbraw/zinc/91/15/99/483911599.db2.gz	OHLHDSLVWHRLFM-UHFFFAOYSA-N	-1	3	371.397	-0.303	50	0		FBAAHM
CN(C)S(=O)(=O)CCNC(=O)c1ccc(-c2cc(=O)[n-]c(N)n2)cc1	ZINC000426477769	484495120	/nfs/dbraw/zinc/49/51/20/484495120.db2.gz	RCSGMJMUPAIHTA-UHFFFAOYSA-N	-1	3	365.415	0.053	50	0		FBAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)NCCSc2nncn2C)n1	ZINC000426490201	483914843	/nfs/dbraw/zinc/91/48/43/483914843.db2.gz	JOFKRGGCXIZVQX-UHFFFAOYSA-N	-1	3	352.424	0.123	50	0		FBAAHM
CN(CCNC(=O)c1cccc(-c2cc(=O)[n-]c(N)n2)c1)S(C)(=O)=O	ZINC000426490428	483914700	/nfs/dbraw/zinc/91/47/00/483914700.db2.gz	XPDQWBNOMJFQGK-UHFFFAOYSA-N	-1	3	365.415	0.053	50	0		FBAAHM
Cc1cc(=O)[n-]c(CCNC(=O)N2CCCN(S(C)(=O)=O)CC2)n1	ZINC000426490992	263605691	/nfs/dbraw/zinc/60/56/91/263605691.db2.gz	APCWUVQYRZRIJJ-UHFFFAOYSA-N	-1	3	357.436	-0.290	50	0		FBAAHM
Cc1nc(N(C)C)ncc1C(=O)N1CCN(c2cc(=O)[n-]c(N)n2)CC1	ZINC000426503080	484543266	/nfs/dbraw/zinc/54/32/66/484543266.db2.gz	RVBHDXJAMSMVMB-UHFFFAOYSA-N	-1	3	358.406	-0.109	50	0		FBAAHM
Cc1cccc(=O)n1CCC(=O)N1CCN(c2cc(=O)[n-]c(N)n2)CC1	ZINC000426563048	484533118	/nfs/dbraw/zinc/53/31/18/484533118.db2.gz	ORXOJZOVPXBTTC-UHFFFAOYSA-N	-1	3	358.402	-0.027	50	0		FBAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)NC(C)(C)CN2CCN(C)CC2)n1	ZINC000426612980	484365079	/nfs/dbraw/zinc/36/50/79/484365079.db2.gz	TYIZQGLZNWBMMD-UHFFFAOYSA-N	-1	3	365.482	0.228	50	0		FBAAHM
Cc1cc(C)n2c(nnc2C(=O)N2CCN(c3cc(=O)[n-]c(N)n3)CC2)n1	ZINC000426627686	484545181	/nfs/dbraw/zinc/54/51/81/484545181.db2.gz	LTJFHCNIJHAQRV-UHFFFAOYSA-N	-1	3	369.389	-0.219	50	0		FBAAHM
Cn1cnnc1SCC(=O)N1CCN(c2cc(=O)[n-]c(N)n2)CC1	ZINC000426651961	484544605	/nfs/dbraw/zinc/54/46/05/484544605.db2.gz	FEIXPCDAXBLNIR-UHFFFAOYSA-N	-1	3	350.408	-0.666	50	0		FBAAHM
CC(C)CN1C[C@H](C(=O)N2CCN(c3cc(=O)[n-]c(N)n3)CC2)CC1=O	ZINC000426698168	484509815	/nfs/dbraw/zinc/50/98/15/484509815.db2.gz	DLVLJWNYKZNROD-GFCCVEGCSA-N	-1	3	362.434	-0.083	50	0		FBAAHM
CC(C)CN1C[C@@H](C(=O)N2CCN(c3cc(=O)[n-]c(N)n3)CC2)CC1=O	ZINC000426698169	484509728	/nfs/dbraw/zinc/50/97/28/484509728.db2.gz	DLVLJWNYKZNROD-LBPRGKRZSA-N	-1	3	362.434	-0.083	50	0		FBAAHM
C/C=C\C[C@H]([N-]S(=O)(=O)CCNS(=O)(=O)CC)C(=O)OCC	ZINC000477143681	484415201	/nfs/dbraw/zinc/41/52/01/484415201.db2.gz	XJGLOEYQLWGQPA-IBHLPDHGSA-N	-1	3	356.466	-0.257	50	0		FBAAHM
C/C=C\C[C@@H]([N-]S(=O)(=O)CCNS(=O)(=O)CC)C(=O)OCC	ZINC000477143682	484415279	/nfs/dbraw/zinc/41/52/79/484415279.db2.gz	XJGLOEYQLWGQPA-MEQVVJDKSA-N	-1	3	356.466	-0.257	50	0		FBAAHM
Cc1cc(C)n(CC[N-]S(=O)(=O)c2cc(C(N)=O)cs2)c(=O)n1	ZINC000670433917	484970366	/nfs/dbraw/zinc/97/03/66/484970366.db2.gz	CWYDNXWNNSUUIV-UHFFFAOYSA-N	-1	3	356.429	-0.001	50	0		FBAAHM
Cc1cc(N2CCN(Cc3cnc(NCC(=O)[O-])nc3)CC2)nc(N)n1	ZINC000670437040	484976911	/nfs/dbraw/zinc/97/69/11/484976911.db2.gz	LAVNUHSZBCRJQE-UHFFFAOYSA-N	-1	3	358.406	-0.024	50	0		FBAAHM
CC(C)c1nccn1CCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000670456257	485000365	/nfs/dbraw/zinc/00/03/65/485000365.db2.gz	XTJVKIIIBLSGMC-UHFFFAOYSA-N	-1	3	369.447	-0.228	50	0		FBAAHM
COc1cccc(OC[C@H](O)CN(C)C[C@H](O)CNS(=O)(=O)[O-])c1	ZINC000824785218	839179185	/nfs/dbraw/zinc/17/91/85/839179185.db2.gz	DTLRVCAQALYBIY-VXGBXAGGSA-N	-1	3	364.420	-0.880	50	0		FBAAHM
Cc1ccc(OC[C@@H](O)CN(C)C[C@@H](O)CNS(=O)(=O)[O-])c(C)c1	ZINC000828588468	839204358	/nfs/dbraw/zinc/20/43/58/839204358.db2.gz	CXUNQIYIWJXXGW-KBPBESRZSA-N	-1	3	362.448	-0.272	50	0		FBAAHM
Cc1ccc(OC[C@H](O)CN(C)C[C@@H](O)CNS(=O)(=O)[O-])c(C)c1	ZINC000828588469	839204429	/nfs/dbraw/zinc/20/44/29/839204429.db2.gz	CXUNQIYIWJXXGW-UONOGXRCSA-N	-1	3	362.448	-0.272	50	0		FBAAHM
O=C([O-])C1CCN(S(=O)(=O)NCCCN2CCCC[C@H]2CO)CC1	ZINC000828710971	839205497	/nfs/dbraw/zinc/20/54/97/839205497.db2.gz	SMCPGPLBXTVAAN-AWEZNQCLSA-N	-1	3	363.480	-0.146	50	0		FBAAHM
O=C([O-])C1CCN(S(=O)(=O)NCCCN2CCCC[C@@H]2CO)CC1	ZINC000828710972	839205472	/nfs/dbraw/zinc/20/54/72/839205472.db2.gz	SMCPGPLBXTVAAN-CQSZACIVSA-N	-1	3	363.480	-0.146	50	0		FBAAHM