smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc(C[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)ccc1OC	ZINC000224146387	206014303	/nfs/dbraw/zinc/01/43/03/206014303.db2.gz	KJIIXLFVOIUPCI-UHFFFAOYSA-N	-1	3	386.455	1.382	40	0		GDABHM
CCOc1cc(C(=O)N2CCC[C@@](O)(CN3CCOCC3)CC2)ccc1[O-]	ZINC000257285325	206173042	/nfs/dbraw/zinc/17/30/42/206173042.db2.gz	PGQIAIWQYOMRAD-FQEVSTJZSA-N	-1	3	378.469	1.480	40	0		GDABHM
O=C([N-][C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccccc1)C(Cl)(Cl)Cl	ZINC000575421128	570307119	/nfs/dbraw/zinc/30/71/19/570307119.db2.gz	NAQMEYDZRGLXTN-WDEREUQCSA-N	-1	3	385.700	1.428	40	0		GDABHM
Cc1ccc(CN[C@H]2CS(=O)(=O)C[C@H]2[N-]C(=O)C(Cl)(Cl)Cl)cc1	ZINC000575420002	570307340	/nfs/dbraw/zinc/30/73/40/570307340.db2.gz	CZPLJPSEANCBIJ-NWDGAFQWSA-N	-1	3	399.727	1.737	40	0		GDABHM
CC(=O)N1CCc2c(nc([C@H]3CCN(C(=O)[C@H](C)c4ccccc4)C3)[n-]c2=O)C1	ZINC000019459006	570988082	/nfs/dbraw/zinc/98/80/82/570988082.db2.gz	QORMCIHKJLREAM-PBHICJAKSA-N	-1	3	394.475	1.794	40	0		GDABHM
C[C@H](NC(=O)c1ccc2ncccc2c1)c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000019458386	570988091	/nfs/dbraw/zinc/98/80/91/570988091.db2.gz	HOLHDEREBNNARS-AWEZNQCLSA-N	-1	3	392.463	1.561	40	0		GDABHM
CCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3cccnc3)[n-]c2=O)C1	ZINC000019499138	570991822	/nfs/dbraw/zinc/99/18/22/570991822.db2.gz	SINCYDKDNUZFSX-QGZVFWFLSA-N	-1	3	395.463	1.827	40	0		GDABHM
COc1ccc(CN2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)cc1OC	ZINC000019561177	571005908	/nfs/dbraw/zinc/00/59/08/571005908.db2.gz	SYMPMWAFCWDJMX-UHFFFAOYSA-N	-1	3	393.447	1.845	40	0		GDABHM
O=C(c1ccc2c(c1)OCO2)N1CCC(Nc2nc3c(c(=O)[n-]2)CCC3)CC1	ZINC000012113687	204372277	/nfs/dbraw/zinc/37/22/77/204372277.db2.gz	VHPIZOUBMVTXSC-UHFFFAOYSA-N	-1	3	382.420	1.704	40	0		GDABHM
Cc1nc(C)c(C(=O)N[C@@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C(C)C)s1	ZINC000019560256	204656457	/nfs/dbraw/zinc/65/64/57/204656457.db2.gz	BYTYERPAHZUXQS-OAHLLOKOSA-N	-1	3	391.497	1.807	40	0		GDABHM
Cc1nc(C(=O)NC[C@H]2CO[C@@H]3CN(C(=O)c4cccc([O-])c4)C[C@H]23)cs1	ZINC000575403738	570520168	/nfs/dbraw/zinc/52/01/68/570520168.db2.gz	JJMKLGVPEHKBQD-YSVLISHTSA-N	-1	3	387.461	1.674	40	0		GDABHM
CN(C)c1nc([C@@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCCCC4)C2)cc(=O)[n-]1	ZINC000012367470	570647201	/nfs/dbraw/zinc/64/72/01/570647201.db2.gz	INRKILZLBOIGTM-CQSZACIVSA-N	-1	3	397.479	1.835	40	0		GDABHM
CC(=O)N1CCc2c(=O)[n-]c([C@H]3CCN(C(=O)Cc4ccc(F)cc4)C3)nc2C1	ZINC000019019100	570954848	/nfs/dbraw/zinc/95/48/48/570954848.db2.gz	RGSBGKOYBOXOGY-HNNXBMFYSA-N	-1	3	398.438	1.785	40	0		GDABHM
CC(=O)N1CCc2c(=O)[n-]c([C@H]3CCCN3C(=O)Cc3ccccc3)nc2C1	ZINC000019019026	570954984	/nfs/dbraw/zinc/95/49/84/570954984.db2.gz	SQRWIRKFWBGTEK-GOSISDBHSA-N	-1	3	380.448	1.993	40	0		GDABHM
O=c1[n-]c(N2CCOCC2)nc2c1CCN(Cc1cccc(F)c1F)CC2	ZINC000019292759	570972645	/nfs/dbraw/zinc/97/26/45/570972645.db2.gz	OOVQYTAKMNAQAA-UHFFFAOYSA-N	-1	3	376.407	1.486	40	0		GDABHM
C[C@H](NC(=O)c1ccc(F)c(Cl)c1)c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000019458382	570987979	/nfs/dbraw/zinc/98/79/79/570987979.db2.gz	FEQHZMYJCXBYHZ-NSHDSACASA-N	-1	3	393.850	1.805	40	0		GDABHM
CC[C@@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)CN(C)C)CC2	ZINC000019499854	570992201	/nfs/dbraw/zinc/99/22/01/570992201.db2.gz	SGGKOQOFEVWJPC-CJNGLKHVSA-N	-1	3	389.500	1.338	40	0		GDABHM
CCc1cc(C(=O)Nc2ccc3c(c2)N(C)CCC3)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000019714563	571035936	/nfs/dbraw/zinc/03/59/36/571035936.db2.gz	FQGFOAXNSQKJOL-UHFFFAOYSA-N	-1	3	393.447	1.819	40	0		GDABHM
CCc1cc(C(=O)Nc2cccc(-n3cccn3)c2)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000019714558	571036044	/nfs/dbraw/zinc/03/60/44/571036044.db2.gz	QVBKXFDSRDRDJR-UHFFFAOYSA-N	-1	3	390.403	1.622	40	0		GDABHM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCC(C)CC2)s1	ZINC000225726907	206071029	/nfs/dbraw/zinc/07/10/29/206071029.db2.gz	HARQSOLIZOKPPI-UHFFFAOYSA-N	-1	3	389.547	1.533	40	0		GDABHM
Cc1nn(C)cc1S(=O)(=O)N1N=C(c2ccccc2)C[C@]1([O-])C(F)(F)F	ZINC000017079240	570258109	/nfs/dbraw/zinc/25/81/09/570258109.db2.gz	KEKFGNQLQZNJRH-AWEZNQCLSA-N	-1	3	388.371	1.778	40	0		GDABHM
COCCN(C)C(=O)c1ccc2c(c1[O-])[C@H](O)[C@@]1(O)[C@@H]3C[C@H](C[C@H]1O2)C3(C)C	ZINC000257297689	570488884	/nfs/dbraw/zinc/48/88/84/570488884.db2.gz	RIMRRGOJRHLCPU-GVCRSNKDSA-N	-1	3	391.464	1.702	40	0		GDABHM
Cn1nccc1C(=O)NCC[C@@H]1CCOC12CN(C(=O)c1cccc([O-])c1)C2	ZINC000575404083	570520515	/nfs/dbraw/zinc/52/05/15/570520515.db2.gz	PSZPALGYJIGKNY-OAHLLOKOSA-N	-1	3	384.436	1.177	40	0		GDABHM
O=C(C[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21)N1CC(F)(F)C1	ZINC000575404421	570520821	/nfs/dbraw/zinc/52/08/21/570520821.db2.gz	BZAGJSXWLCWPIL-AWEZNQCLSA-N	-1	3	376.363	1.653	40	0		GDABHM
COc1ccc(NC(=O)CSc2nc3[nH]c(=O)[n-]c(=O)c3s2)cc1OC	ZINC000013568708	570850034	/nfs/dbraw/zinc/85/00/34/570850034.db2.gz	QDMHLPZWVKFETM-UHFFFAOYSA-N	-1	3	394.434	1.833	40	0		GDABHM
CCCC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)CN(C)C)CC2	ZINC000019501342	570993114	/nfs/dbraw/zinc/99/31/14/570993114.db2.gz	NNUUMSDLMAUELS-OAHLLOKOSA-N	-1	3	375.473	1.092	40	0		GDABHM
COCCOc1cccc(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)c1	ZINC000019593807	571020491	/nfs/dbraw/zinc/02/04/91/571020491.db2.gz	MWFOBFPGZFIJCN-UHFFFAOYSA-N	-1	3	398.507	1.996	40	0		GDABHM
COc1ccc(NC(=O)CSc2nnc3[n-]c(=O)c(C(C)(C)C)nn32)cc1	ZINC000005144282	204115310	/nfs/dbraw/zinc/11/53/10/204115310.db2.gz	KGYCHYLBZDXSRR-UHFFFAOYSA-N	-1	3	388.453	1.850	40	0		GDABHM
CCc1nn2c(nnc3c2ccn([N-]C(N)=O)c3=O)c1-c1ccc(Cl)cc1	ZINC000040395941	205064379	/nfs/dbraw/zinc/06/43/79/205064379.db2.gz	SNDHITDKFSUAOT-UHFFFAOYSA-N	-1	3	383.799	1.944	40	0		GDABHM
COCC(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[n-]2)CN(C(C)C)CC4)C1	ZINC000072398807	205344064	/nfs/dbraw/zinc/34/40/64/205344064.db2.gz	ZWKPGSIWCKXEBL-AWEZNQCLSA-N	-1	3	387.484	1.554	40	0		GDABHM
CCN1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	ZINC000409392347	529132455	/nfs/dbraw/zinc/13/24/55/529132455.db2.gz	RKYMFGBRXHPGRD-NSHDSACASA-N	-1	3	394.324	1.824	40	0		GDABHM
Cc1ccnn1[C@@H](C)C(=O)N1CC[C@@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1	ZINC000019238237	570967891	/nfs/dbraw/zinc/96/78/91/570967891.db2.gz	NGIBBKIURZGARG-GOEBONIOSA-N	-1	3	378.436	1.914	40	0		GDABHM
CCc1c(C)nc([C@@H]2CCCN2C(=O)CN2Cc3ccccc3C2=O)[n-]c1=O	ZINC000019521576	570994814	/nfs/dbraw/zinc/99/48/14/570994814.db2.gz	QXOAMFNMXIWOBA-KRWDZBQOSA-N	-1	3	380.448	1.960	40	0		GDABHM
CCc1ccccc1Nc1noc2c1CN(C(=O)CC[C@@H]1NC(=O)[N-]C1=O)CC2	ZINC000019523050	570995411	/nfs/dbraw/zinc/99/54/11/570995411.db2.gz	RUBYAROYEQQGKR-HNNXBMFYSA-N	-1	3	397.435	1.854	40	0		GDABHM
COc1ncc(C(=O)N2CC[C@@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)cn1	ZINC000019571988	571010237	/nfs/dbraw/zinc/01/02/37/571010237.db2.gz	KIGRTRCGZQGPAJ-CYBMUJFWSA-N	-1	3	378.392	1.260	40	0		GDABHM
Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)CC[C@@]1(C)NC(=O)[N-]C1=O	ZINC000019578384	571012018	/nfs/dbraw/zinc/01/20/18/571012018.db2.gz	MAPGSZMAYOYDOF-LJQANCHMSA-N	-1	3	387.415	1.623	40	0		GDABHM
Cc1cc(C(=O)NCCCOc2ccccc2F)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000019716347	571038170	/nfs/dbraw/zinc/03/81/70/571038170.db2.gz	RTHSZMSEMPIAFU-UHFFFAOYSA-N	-1	3	386.383	1.268	40	0		GDABHM
C[C@H](c1cc(=O)[n-]c(NC[C@H]2CCCOC2)n1)n1ncc2ccccc2c1=O	ZINC000019717477	571039907	/nfs/dbraw/zinc/03/99/07/571039907.db2.gz	LJCYKUZPRVBGSV-ZIAGYGMSSA-N	-1	3	381.436	1.928	40	0		GDABHM
CN1CCN(c2cc3[nH]c(=O)[nH]c3cc2[N-]S(=O)(=O)c2ccccc2)CC1	ZINC000408537042	529777043	/nfs/dbraw/zinc/77/70/43/529777043.db2.gz	YWZFZKMKJFNSAH-UHFFFAOYSA-N	-1	3	387.465	1.821	40	0		GDABHM
CN1[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])C[C@H](c2ccco2)NS1(=O)=O	ZINC000000819648	530531259	/nfs/dbraw/zinc/53/12/59/530531259.db2.gz	FDTUNWVNQZGCBX-VXGBXAGGSA-N	-1	3	385.829	1.857	40	0		GDABHM
CS(=O)(=O)[N-]c1ccc(C(=O)NCCCN2CCOCC2)c(Cl)c1	ZINC000022510466	530572759	/nfs/dbraw/zinc/57/27/59/530572759.db2.gz	AQJRLCBFKXMVTN-UHFFFAOYSA-N	-1	3	375.878	1.164	40	0		GDABHM
CN1CCN(CCC[N-]S(=O)(=O)c2ccc(Br)s2)CC1	ZINC000022791775	530573490	/nfs/dbraw/zinc/57/34/90/530573490.db2.gz	DHUQLVAFOOKBLG-UHFFFAOYSA-N	-1	3	382.349	1.426	40	0		GDABHM
O=c1cc(CO)oc(C(c2cccs2)c2oc(CO)cc(=O)c2O)c1[O-]	ZINC000004247799	204034845	/nfs/dbraw/zinc/03/48/45/204034845.db2.gz	NUAJPZWQFAHECE-UHFFFAOYSA-N	-1	3	378.358	1.231	40	0		GDABHM
C[C@@H](OC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)C(=O)N[C@H]1CCCC[C@@H]1C	ZINC000004278292	204035849	/nfs/dbraw/zinc/03/58/49/204035849.db2.gz	CARCXFQVBQZZNB-ZENOOKHLSA-N	-1	3	387.436	1.316	40	0		GDABHM
Cc1nc(N2CCC(NC(=O)c3ccc(CN4CCCC4)o3)CC2)[n-]c(=O)c1C	ZINC000012146193	204375426	/nfs/dbraw/zinc/37/54/26/204375426.db2.gz	ORGKXTRQRVDMAF-UHFFFAOYSA-N	-1	3	399.495	1.974	40	0		GDABHM
Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(N4CCOCC4)[n-]c(=O)c32)c1	ZINC000019961101	570233893	/nfs/dbraw/zinc/23/38/93/570233893.db2.gz	XGNOSUPASNPNHY-CYBMUJFWSA-N	-1	3	397.435	1.288	40	0		GDABHM
CS(=O)(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1	ZINC000005704442	570421903	/nfs/dbraw/zinc/42/19/03/570421903.db2.gz	JBQTXUGGVFDBSC-ZDUSSCGKSA-N	-1	3	388.453	1.114	40	0		GDABHM
O=C(NCc1ccccn1)[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21	ZINC000575404381	570520404	/nfs/dbraw/zinc/52/04/04/570520404.db2.gz	BNPKIFHKSPPDCA-GOSISDBHSA-N	-1	3	377.404	1.497	40	0		GDABHM
Cc1ccnn1[C@H](C)C(=O)N1CC[C@@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1	ZINC000019238238	570967707	/nfs/dbraw/zinc/96/77/07/570967707.db2.gz	NGIBBKIURZGARG-GDBMZVCRSA-N	-1	3	378.436	1.914	40	0		GDABHM
CC(=O)N1CCc2c(nc([C@@H]3CCN(C(=O)[C@@H](C)c4ccccc4)C3)[n-]c2=O)C1	ZINC000019459004	570987827	/nfs/dbraw/zinc/98/78/27/570987827.db2.gz	QORMCIHKJLREAM-WMLDXEAASA-N	-1	3	394.475	1.794	40	0		GDABHM
COc1ccccc1N1C[C@@H](c2cc(=O)[n-]c(NC3CCOCC3)n2)CC1=O	ZINC000019571061	571009796	/nfs/dbraw/zinc/00/97/96/571009796.db2.gz	NZCOEPUMKGUJNZ-ZDUSSCGKSA-N	-1	3	384.436	1.890	40	0		GDABHM
COc1ncc(C(=O)N2CC[C@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)cn1	ZINC000019571991	571010092	/nfs/dbraw/zinc/01/00/92/571010092.db2.gz	KIGRTRCGZQGPAJ-ZDUSSCGKSA-N	-1	3	378.392	1.260	40	0		GDABHM
CN(C)c1ncccc1CN1CCc2nc(-c3cnccn3)[n-]c(=O)c2CC1	ZINC000019584148	571014835	/nfs/dbraw/zinc/01/48/35/571014835.db2.gz	QGULIHAATCGCNM-UHFFFAOYSA-N	-1	3	377.452	1.701	40	0		GDABHM
O=S(=O)([N-]c1ccc(N[C@H]2CS(=O)(=O)C[C@H]2O)cc1)c1ccccc1	ZINC000575423765	532014260	/nfs/dbraw/zinc/01/42/60/532014260.db2.gz	QDCULGOROZGQKP-JKSUJKDBSA-N	-1	3	382.463	1.057	40	0		GDABHM
COc1ccc(C(=O)N2CCC[C@@H]2Cn2nnc3c2nc(C)[n-]c3=O)cc1OC	ZINC000012337191	204399445	/nfs/dbraw/zinc/39/94/45/204399445.db2.gz	KCZIBIWSMQWHIU-CYBMUJFWSA-N	-1	3	398.423	1.557	40	0		GDABHM
CCOC(=O)c1sc(NC(=O)C[C@H](NCc2ccco2)C(=O)[O-])nc1C	ZINC000065090346	205210688	/nfs/dbraw/zinc/21/06/88/205210688.db2.gz	OFOPQXRHMHQXTE-NSHDSACASA-N	-1	3	381.410	1.793	40	0		GDABHM
CCN(CC)c1ccc(C(=O)N[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)c([O-])c1	ZINC000257225569	206162428	/nfs/dbraw/zinc/16/24/28/206162428.db2.gz	FGTPQXMGMRXSIV-QWFCFKBJSA-N	-1	3	391.512	1.582	40	0		GDABHM
COc1ccc(CC(=O)N2CC[C@@H](c3cc(=O)[n-]c(N(C)C)n3)C2)cc1OC	ZINC000012367292	570647026	/nfs/dbraw/zinc/64/70/26/570647026.db2.gz	PDYJYAOYRRHHBB-CQSZACIVSA-N	-1	3	386.452	1.824	40	0		GDABHM
Cc1ncsc1C(=O)N1CC[C@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1	ZINC000012367242	570647163	/nfs/dbraw/zinc/64/71/63/570647163.db2.gz	XQQADLJIEDMBQJ-LBPRGKRZSA-N	-1	3	375.454	1.413	40	0		GDABHM
CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])[C@H](C)CC)CC1	ZINC000100768416	570710570	/nfs/dbraw/zinc/71/05/70/570710570.db2.gz	RGPVJNHIMSQFEG-FFRIZKCHSA-N	-1	3	383.533	1.898	40	0		GDABHM
COc1ccc(CN2CCC[C@@H](Cn3nnc4c3nc(C)[n-]c4=O)C2)c(OC)c1	ZINC000019286469	570969700	/nfs/dbraw/zinc/96/97/00/570969700.db2.gz	UEOCNIXSLZMNGI-CQSZACIVSA-N	-1	3	398.467	1.752	40	0		GDABHM
CCn1cc(S(=O)(=O)N[C@@H](C)c2cc(=O)[n-]c(N3CCC(C)CC3)n2)cn1	ZINC000019525093	570996824	/nfs/dbraw/zinc/99/68/24/570996824.db2.gz	SQUZDSRVAINZDH-ZDUSSCGKSA-N	-1	3	394.501	1.262	40	0		GDABHM
Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)CC[C@]1(C)NC(=O)[N-]C1=O	ZINC000019578387	571012254	/nfs/dbraw/zinc/01/22/54/571012254.db2.gz	MAPGSZMAYOYDOF-IBGZPJMESA-N	-1	3	387.415	1.623	40	0		GDABHM
Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)NCCO	ZINC000408674778	231093591	/nfs/dbraw/zinc/09/35/91/231093591.db2.gz	CKTQIWARBJIBQM-UHFFFAOYSA-N	-1	3	398.868	1.937	40	0		GDABHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)NCCCOC(C)C	ZINC000408627029	231087311	/nfs/dbraw/zinc/08/73/11/231087311.db2.gz	XLUPARRDEGOMBG-GFCCVEGCSA-N	-1	3	392.905	1.947	40	0		GDABHM
CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1	ZINC000408600426	529918040	/nfs/dbraw/zinc/91/80/40/529918040.db2.gz	AZTUVTBBCYRBGG-LBPRGKRZSA-N	-1	3	392.433	1.772	40	0		GDABHM
COCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2	ZINC000019593163	204662667	/nfs/dbraw/zinc/66/26/67/204662667.db2.gz	YTWYPJANMWCXMD-INIZCTEOSA-N	-1	3	388.468	1.155	40	0		GDABHM
COCc1nn2c(nnc3c2ccn([N-]C(N)=O)c3=O)c1-c1ccc(Cl)cc1	ZINC000040396201	205064354	/nfs/dbraw/zinc/06/43/54/205064354.db2.gz	BBSWYNSZRGBSOV-UHFFFAOYSA-N	-1	3	399.798	1.528	40	0		GDABHM
COc1cc(C)c(NC(=O)[C@@](C)([N-]S(C)(=O)=O)c2ccc(F)cc2)cn1	ZINC000225958901	206085998	/nfs/dbraw/zinc/08/59/98/206085998.db2.gz	MBXCZVFLKMZXEK-KRWDZBQOSA-N	-1	3	381.429	1.941	40	0		GDABHM
Cc1ccc2[nH]c(C(=O)[O-])c(CN3CC[C@]4(Cc5c(nc(N)nc5N)O4)C3)c2c1	ZINC000257300451	206175143	/nfs/dbraw/zinc/17/51/43/206175143.db2.gz	RUHSPWDWNLWMPS-FQEVSTJZSA-N	-1	3	394.435	1.709	40	0		GDABHM
CC(=O)N1CCCN(CC[C@H]2CN(C(=O)C3CC3)CC[C@H]2CC(=O)[O-])CC1	ZINC000012481024	560212230	/nfs/dbraw/zinc/21/22/30/560212230.db2.gz	BIVRZKNOPNUGJZ-ROUUACIJSA-N	-1	3	379.501	1.280	40	0	biogenic,in-vitro	GDABHM
O=C(C1CC1)N1CCc2c(=O)[n-]c([C@H]3CCN(C(=O)C4CCCC4)C3)nc2C1	ZINC000019014520	570954025	/nfs/dbraw/zinc/95/40/25/570954025.db2.gz	SPQFKEVQZMXHTH-HNNXBMFYSA-N	-1	3	384.480	1.983	40	0		GDABHM
CC(=O)OCc1ccc(CN2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)o1	ZINC000019023044	570955481	/nfs/dbraw/zinc/95/54/81/570955481.db2.gz	YLULYKPLCAQALH-UHFFFAOYSA-N	-1	3	395.419	1.484	40	0		GDABHM
C[C@H](NC(=O)C1(c2cccc(F)c2)CC1)c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000019458359	570987900	/nfs/dbraw/zinc/98/79/00/570987900.db2.gz	KFFLBYKLLHVMIC-AWEZNQCLSA-N	-1	3	399.470	1.570	40	0		GDABHM
C[C@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000019458354	570988037	/nfs/dbraw/zinc/98/80/37/570988037.db2.gz	WEZUOGXASMYQBV-AWEZNQCLSA-N	-1	3	399.470	1.570	40	0		GDABHM
C[C@@]1(CCC(=O)N2CCC[C@@H](COc3ccccc3F)C2)NC(=O)[N-]C1=O	ZINC000019460266	570988501	/nfs/dbraw/zinc/98/85/01/570988501.db2.gz	BTVKOYITKRAWJV-YJYMSZOUSA-N	-1	3	377.416	1.821	40	0		GDABHM
CCc1onc(C)c1C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(C)=O)C2	ZINC000019521119	570994564	/nfs/dbraw/zinc/99/45/64/570994564.db2.gz	QVCFQIULRWOOEJ-HNNXBMFYSA-N	-1	3	399.451	1.511	40	0		GDABHM
CCn1cc(CN2CCC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)c(C)n1	ZINC000019524538	570996473	/nfs/dbraw/zinc/99/64/73/570996473.db2.gz	RCKQSNQOKPZROV-MRXNPFEDSA-N	-1	3	386.500	1.511	40	0		GDABHM
COCCc1ncc(CN2CCc3nc(-c4cccnc4)[n-]c(=O)c3CC2)cn1	ZINC000019593859	571020359	/nfs/dbraw/zinc/02/03/59/571020359.db2.gz	NFWQOYREXKRIPC-UHFFFAOYSA-N	-1	3	392.463	1.412	40	0		GDABHM
Cc1cc(C(=O)NCC(C)(C)c2ccccc2F)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000019716346	571038275	/nfs/dbraw/zinc/03/82/75/571038275.db2.gz	SUNISZOGRVHPFW-UHFFFAOYSA-N	-1	3	384.411	1.777	40	0		GDABHM
C[C@@H](c1cc(=O)[n-]c(NC[C@@H]2CCCOC2)n1)n1ncc2ccccc2c1=O	ZINC000019717474	571039905	/nfs/dbraw/zinc/03/99/05/571039905.db2.gz	LJCYKUZPRVBGSV-KBPBESRZSA-N	-1	3	381.436	1.928	40	0		GDABHM
COc1ccc(C(=O)N2CCc3c(=O)[n-]c(C)nc3C2)cc1Cn1cccn1	ZINC000012143199	204375891	/nfs/dbraw/zinc/37/58/91/204375891.db2.gz	YBGHONLGIZFRTL-UHFFFAOYSA-N	-1	3	379.420	1.530	40	0		GDABHM
CCc1cc(=O)[n-]c(NC2CCN(CC(=O)Nc3ccc(OC)cc3)CC2)n1	ZINC000072341833	205327721	/nfs/dbraw/zinc/32/77/21/205327721.db2.gz	YSELKPCUXTULAN-UHFFFAOYSA-N	-1	3	385.468	1.856	40	0		GDABHM
COc1ccc(-c2csc(CCNC(=O)Cc3c[nH]c(=O)[n-]c3=O)n2)cc1	ZINC000019558440	518143082	/nfs/dbraw/zinc/14/30/82/518143082.db2.gz	AMHTYGSEVCDOLF-UHFFFAOYSA-N	-1	3	386.433	1.097	40	0		GDABHM
O=C(NCC[C@H]1CCOC12CN(C(=O)c1cccc([O-])c1)C2)c1ccncc1	ZINC000575403128	570519889	/nfs/dbraw/zinc/51/98/89/570519889.db2.gz	DHGYRDFEXXLEFA-KRWDZBQOSA-N	-1	3	381.432	1.838	40	0		GDABHM
CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1CC[C@@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)CC1	ZINC000100768419	570710576	/nfs/dbraw/zinc/71/05/76/570710576.db2.gz	RGPVJNHIMSQFEG-DZTUFKMZSA-N	-1	3	383.533	1.898	40	0		GDABHM
CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](N)CC(C)C)CC1)C(=O)[O-]	ZINC000100778453	570710970	/nfs/dbraw/zinc/71/09/70/570710970.db2.gz	YWFQLWIVTMRHDH-NRKLIOEPSA-N	-1	3	383.533	1.898	40	0		GDABHM
O=C(C[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21)NCC1CCOCC1	ZINC000585095157	570921319	/nfs/dbraw/zinc/92/13/19/570921319.db2.gz	GPUHBQXLCUVUSD-GOSISDBHSA-N	-1	3	398.463	1.719	40	0		GDABHM
Cc1csc2c(C3CCN(C(=O)CC[C@@H]4NC(=O)[N-]C4=O)CC3)nc(C)n12	ZINC000019240538	570969300	/nfs/dbraw/zinc/96/93/00/570969300.db2.gz	SNDDHOAMKKGTDF-ZDUSSCGKSA-N	-1	3	389.481	1.707	40	0		GDABHM
O=C(C1CCC1)N1CCc2c(=O)[n-]c([C@H]3CCN(Cc4cccnc4)C3)nc2C1	ZINC000019338881	570976634	/nfs/dbraw/zinc/97/66/34/570976634.db2.gz	SUBZFIPKRAEWJN-KRWDZBQOSA-N	-1	3	393.491	1.839	40	0		GDABHM
O=C(CCn1ccnc1)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1	ZINC000019403574	570982747	/nfs/dbraw/zinc/98/27/47/570982747.db2.gz	RAJADWRAFHBILA-UHFFFAOYSA-N	-1	3	384.465	1.886	40	0		GDABHM
CCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(S(=O)(=O)CC)C2	ZINC000019501413	570992999	/nfs/dbraw/zinc/99/29/99/570992999.db2.gz	FDMLYBWFGCWBDM-HNNXBMFYSA-N	-1	3	396.513	1.331	40	0		GDABHM
CCOC(=O)[C@H](Cc1cc(C)c([O-])c(I)c1)NC(C)=O	ZINC000001713864	530532177	/nfs/dbraw/zinc/53/21/77/530532177.db2.gz	LFJYMGUZGIGCEC-LBPRGKRZSA-N	-1	3	391.205	1.916	40	0		GDABHM
COc1ncccc1-c1cc(=O)[n-]c([C@H]2CCN(C(=O)c3cnccn3)C2)n1	ZINC000019594703	204665508	/nfs/dbraw/zinc/66/55/08/204665508.db2.gz	UPVWDMSIYAWEFY-LBPRGKRZSA-N	-1	3	378.392	1.260	40	0		GDABHM
Cc1nc2c(c(=O)[n-]1)CC[C@@H]1CN(C(=O)C[C@H]3OC(=O)c4ccccc43)C[C@H]21	ZINC000072336071	205328425	/nfs/dbraw/zinc/32/84/25/205328425.db2.gz	BFPGAEHBRRONNN-OAUYIBNBSA-N	-1	3	379.416	1.868	40	0		GDABHM
CCN(Cc1cc(C)c(O)c(C(=O)[O-])c1)C[C@@]1(C)Cc2c(nc(N)nc2N)O1	ZINC000257290375	206173655	/nfs/dbraw/zinc/17/36/55/206173655.db2.gz	QCSLMXCZEYFHKK-LJQANCHMSA-N	-1	3	387.440	1.569	40	0		GDABHM
CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1	ZINC000223277796	570455762	/nfs/dbraw/zinc/45/57/62/570455762.db2.gz	MTNDCUUGKAZPBS-UHFFFAOYSA-N	-1	3	380.422	1.629	40	0		GDABHM
CN(C)c1nc([C@@H]2CCN(C(=O)CCN3Cc4ccccc4C3=O)C2)cc(=O)[n-]1	ZINC000012367449	570647190	/nfs/dbraw/zinc/64/71/90/570647190.db2.gz	OLMFAILCECRPJX-OAHLLOKOSA-N	-1	3	395.463	1.610	40	0		GDABHM
C[C@]1(CCC(=O)N2CCC[C@@H](COc3ccccc3F)C2)NC(=O)[N-]C1=O	ZINC000019460268	570988455	/nfs/dbraw/zinc/98/84/55/570988455.db2.gz	BTVKOYITKRAWJV-BFUOFWGJSA-N	-1	3	377.416	1.821	40	0		GDABHM
CCc1ccccc1Nc1noc2c1CN(C(=O)CC[C@H]1NC(=O)[N-]C1=O)CC2	ZINC000019523051	570995443	/nfs/dbraw/zinc/99/54/43/570995443.db2.gz	RUBYAROYEQQGKR-OAHLLOKOSA-N	-1	3	397.435	1.854	40	0		GDABHM
Cc1nc(C)c(C(=O)N[C@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C(C)C)s1	ZINC000019560259	571005490	/nfs/dbraw/zinc/00/54/90/571005490.db2.gz	BYTYERPAHZUXQS-HNNXBMFYSA-N	-1	3	391.497	1.807	40	0		GDABHM
COc1ncccc1-c1cc(=O)[n-]c([C@H]2CCN(C(=O)c3ccccn3)C2)n1	ZINC000019594696	571020413	/nfs/dbraw/zinc/02/04/13/571020413.db2.gz	LBBVBTRLNSPHMQ-ZDUSSCGKSA-N	-1	3	377.404	1.865	40	0		GDABHM
C[C@H](c1cc(=O)[n-]c(NC[C@@H]2CCCOC2)n1)n1ncc2ccccc2c1=O	ZINC000019717475	571040010	/nfs/dbraw/zinc/04/00/10/571040010.db2.gz	LJCYKUZPRVBGSV-KGLIPLIRSA-N	-1	3	381.436	1.928	40	0		GDABHM
CCN(Cc1ccccc1OCC(=O)[O-])C[C@]1(C)Cc2c(nc(N)nc2N)O1	ZINC000257305184	206176884	/nfs/dbraw/zinc/17/68/84/206176884.db2.gz	SOTMFHKPBCTQKZ-IBGZPJMESA-N	-1	3	387.440	1.320	40	0		GDABHM
O=C(c1cccc([O-])c1)N1CC2(C1)[C@H](COc1ccccn1)CCS2(=O)=O	ZINC000306132862	206201000	/nfs/dbraw/zinc/20/10/00/206201000.db2.gz	LUSLVVHPYBONPM-HNNXBMFYSA-N	-1	3	388.445	1.496	40	0		GDABHM
CN(C)c1nc([C@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCCCC4)C2)cc(=O)[n-]1	ZINC000012367475	570647597	/nfs/dbraw/zinc/64/75/97/570647597.db2.gz	INRKILZLBOIGTM-AWEZNQCLSA-N	-1	3	397.479	1.835	40	0		GDABHM
Cc1nc(NC2CCN(Cc3nnnn3Cc3ccccc3)CC2)[n-]c(=O)c1C	ZINC000005625780	570665627	/nfs/dbraw/zinc/66/56/27/570665627.db2.gz	KIRVRBGFBVGREW-UHFFFAOYSA-N	-1	3	394.483	1.498	40	0		GDABHM
CSCC[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](N)C(C)C)CC1)C(=O)[O-]	ZINC000100779779	570710888	/nfs/dbraw/zinc/71/08/88/570710888.db2.gz	MPMDCDAQKBJDMJ-LXTVHRRPSA-N	-1	3	387.546	1.215	40	0		GDABHM
CN1CCN(C(=O)Oc2c3[n-]ccnc-3c(=O)n2-c2ccc(Cl)cn2)CC1	ZINC000169686197	570784352	/nfs/dbraw/zinc/78/43/52/570784352.db2.gz	DZCUZLPTNNFSNM-UHFFFAOYSA-N	-1	3	388.815	1.460	40	0		GDABHM
CC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCN(C(=O)Cc4cccs4)C3)nc2C1	ZINC000019019127	570954824	/nfs/dbraw/zinc/95/48/24/570954824.db2.gz	MLJQDNWKMYQDCS-CYBMUJFWSA-N	-1	3	386.477	1.707	40	0		GDABHM
CC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3cnc(C)cn3)[n-]c2=O)C1	ZINC000019238921	570968258	/nfs/dbraw/zinc/96/82/58/570968258.db2.gz	CJCGFWKGNNIZCN-QGZVFWFLSA-N	-1	3	396.451	1.140	40	0		GDABHM
CC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCCN3C(=O)c3cc(C(C)C)no3)nc2C1	ZINC000019452898	570986335	/nfs/dbraw/zinc/98/63/35/570986335.db2.gz	KPCZVLVAZPJSCM-INIZCTEOSA-N	-1	3	399.451	1.763	40	0		GDABHM
CN1CCN(c2nc(CNC(=O)Cc3ccc4c(c3)CCCO4)cc(=O)[n-]2)CC1	ZINC000019590113	571017430	/nfs/dbraw/zinc/01/74/30/571017430.db2.gz	BQDBXQGERCRISF-UHFFFAOYSA-N	-1	3	397.479	1.118	40	0		GDABHM
Cc1cc(C(=O)NCc2ccccc2N2CCCC2)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000019716367	571038331	/nfs/dbraw/zinc/03/83/31/571038331.db2.gz	TWLQWKDZOVWOGB-UHFFFAOYSA-N	-1	3	393.447	1.460	40	0		GDABHM
Cc1nc(C)c(C(=O)N2CC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)s1	ZINC000012367210	204402271	/nfs/dbraw/zinc/40/22/71/204402271.db2.gz	WWECWSFFXDWWTR-CYBMUJFWSA-N	-1	3	389.481	1.722	40	0		GDABHM
O=C([C@H]1C[C@H]2C=C[C@@H]1O2)N1C[C@@H]2c3nc(N4CCCC4)[n-]c(=O)c3CC[C@@H]2C1	ZINC000072336100	205328472	/nfs/dbraw/zinc/32/84/72/205328472.db2.gz	ZCMXVBBQESUFSH-WLGNDBIMSA-N	-1	3	382.464	1.202	40	0		GDABHM
Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCc4nc(C)[n-]c(=O)c4C3)cc2n1	ZINC000072346555	205329528	/nfs/dbraw/zinc/32/95/28/205329528.db2.gz	NZHVNDAKXZLOSJ-UHFFFAOYSA-N	-1	3	392.341	1.647	40	0		GDABHM
CCOc1cc(C(=O)N2CCC[C@](O)(CN3CCOCC3)CC2)ccc1[O-]	ZINC000257285326	206173158	/nfs/dbraw/zinc/17/31/58/206173158.db2.gz	PGQIAIWQYOMRAD-HXUWFJFHSA-N	-1	3	378.469	1.480	40	0		GDABHM
Cc1nc([C@H]([C@@H]2CCCCN2)n2cc(C(=O)[O-])ccc2=O)sc1CCO	ZINC000257297971	206175300	/nfs/dbraw/zinc/17/53/00/206175300.db2.gz	RJOILXISOMWTNP-BBRMVZONSA-N	-1	3	377.466	1.578	40	0		GDABHM
Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCOCC4)[n-]c(=O)c32)cc1C	ZINC000019961078	570233687	/nfs/dbraw/zinc/23/36/87/570233687.db2.gz	XQZHTOUWBLXSPE-CQSZACIVSA-N	-1	3	397.435	1.288	40	0		GDABHM
CSCC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](N)C(C)C)CC1)C(=O)[O-]	ZINC000100777175	570710908	/nfs/dbraw/zinc/71/09/08/570710908.db2.gz	MPMDCDAQKBJDMJ-LJISPDSOSA-N	-1	3	387.546	1.215	40	0		GDABHM
Cc1ccc(=O)n(CC(=O)N[C@H](C)c2cc(=O)[n-]c(N3CCC(C)CC3)n2)n1	ZINC000019131062	570958557	/nfs/dbraw/zinc/95/85/57/570958557.db2.gz	ZMHDPTIMSQBQMT-CQSZACIVSA-N	-1	3	386.456	1.161	40	0		GDABHM
O=C(Cc1ccc2c(c1)OCCO2)NCc1cc(=O)[n-]c(-c2cccnc2)n1	ZINC000019340911	570977001	/nfs/dbraw/zinc/97/70/01/570977001.db2.gz	GUCZIEVUYNSJEX-UHFFFAOYSA-N	-1	3	378.388	1.462	40	0		GDABHM
O=C(C1CC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2	ZINC000019339281	570977137	/nfs/dbraw/zinc/97/71/37/570977137.db2.gz	QVCQJIXSLOAUTI-GOSISDBHSA-N	-1	3	379.464	1.797	40	0		GDABHM
C[C@@H](NC(=O)[C@H]1CSC(c2ccncc2)=N1)c1cc(=O)[n-]c(N2CCCC2)n1	ZINC000019458312	570987994	/nfs/dbraw/zinc/98/79/94/570987994.db2.gz	NGXOMHISWUXLAV-IUODEOHRSA-N	-1	3	398.492	1.505	40	0		GDABHM
COc1ccc(CN2CCc3nc(-c4cnccn4)[n-]c(=O)c3C2)cc1OC	ZINC000019561137	571005320	/nfs/dbraw/zinc/00/53/20/571005320.db2.gz	LEIJHMYNYVDMFO-UHFFFAOYSA-N	-1	3	379.420	1.802	40	0		GDABHM
O=S(=O)([N-]c1ccc(N[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1)c1ccccc1	ZINC000575423756	532014287	/nfs/dbraw/zinc/01/42/87/532014287.db2.gz	QDCULGOROZGQKP-CVEARBPZSA-N	-1	3	382.463	1.057	40	0		GDABHM
C[C@@H](OC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)C(=O)N[C@H]1CCCC[C@H]1C	ZINC000004278291	204035346	/nfs/dbraw/zinc/03/53/46/204035346.db2.gz	CARCXFQVBQZZNB-IOASZLSFSA-N	-1	3	387.436	1.316	40	0		GDABHM
Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CSc1ccc(-c2ccc(F)cc2)nn1	ZINC000035314346	204166486	/nfs/dbraw/zinc/16/64/86/204166486.db2.gz	HKFJTDYEKFOBEO-UHFFFAOYSA-N	-1	3	387.396	1.699	40	0		GDABHM
Cc1ccc(C)c2c3nnc(SCC(=O)Nc4c[nH]c(=O)[n-]c4=O)nc3[nH]c21	ZINC000035315364	204168052	/nfs/dbraw/zinc/16/80/52/204168052.db2.gz	BWSORAWUNMTFOC-UHFFFAOYSA-N	-1	3	397.420	1.230	40	0		GDABHM
Cc1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2[N-]C(=O)C(Cl)(Cl)Cl)cc1	ZINC000575420004	570307323	/nfs/dbraw/zinc/30/73/23/570307323.db2.gz	CZPLJPSEANCBIJ-VXGBXAGGSA-N	-1	3	399.727	1.737	40	0		GDABHM
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1OC	ZINC000223305679	570457518	/nfs/dbraw/zinc/45/75/18/570457518.db2.gz	YECMAOYLXLSIKR-UHFFFAOYSA-N	-1	3	394.449	1.972	40	0		GDABHM
O=C(c1ccc(F)c(F)c1)N1CCc2nc(N3CCOCC3)[n-]c(=O)c2C1	ZINC000019292805	570972776	/nfs/dbraw/zinc/97/27/76/570972776.db2.gz	MUXHYSLWPYEJOT-UHFFFAOYSA-N	-1	3	376.363	1.083	40	0		GDABHM
C[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)c1cc(=O)[n-]c(N2CCCC2)n1	ZINC000019458330	570988050	/nfs/dbraw/zinc/98/80/50/570988050.db2.gz	PECMTWCIJUVTBC-ZDUSSCGKSA-N	-1	3	384.436	1.561	40	0		GDABHM
COc1cccc(OC)c1CN1CCc2nc(-c3cnccn3)[n-]c(=O)c2CC1	ZINC000019567122	571007994	/nfs/dbraw/zinc/00/79/94/571007994.db2.gz	MXULMUIKKGCFRG-UHFFFAOYSA-N	-1	3	393.447	1.845	40	0		GDABHM
O=C([O-])CN1CCC(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1	ZINC000548542028	650550639	/nfs/dbraw/zinc/55/06/39/650550639.db2.gz	JSCOOAONCVMUJZ-UHFFFAOYSA-N	-1	3	381.281	1.962	40	0		GDABHM
COc1cc(C(=S)N2CCN(C)CC2)cc(I)c1[O-]	ZINC000008091783	530548508	/nfs/dbraw/zinc/54/85/08/530548508.db2.gz	YHBVDGDWBGTXOE-UHFFFAOYSA-N	-1	3	392.262	1.928	40	0		GDABHM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCCC[C@H]2CC)s1	ZINC000260843175	531092648	/nfs/dbraw/zinc/09/26/48/531092648.db2.gz	OOQJSFVYCFIRMO-GFCCVEGCSA-N	-1	3	389.547	1.820	40	0		GDABHM
Cc1ccc(S(=O)(=O)CCc2nnc([N-]C(=O)c3cnccn3)s2)cc1	ZINC000004355526	204041168	/nfs/dbraw/zinc/04/11/68/204041168.db2.gz	RWWFWGNGFVNFCT-UHFFFAOYSA-N	-1	3	389.462	1.905	40	0		GDABHM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)ccc1OC	ZINC000010008783	204328663	/nfs/dbraw/zinc/32/86/63/204328663.db2.gz	WWJVKIGYBQIXLH-UHFFFAOYSA-N	-1	3	380.422	1.873	40	0		GDABHM
Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCc4c(=O)[n-]cnc4C3)cc2n1	ZINC000012143176	204375936	/nfs/dbraw/zinc/37/59/36/204375936.db2.gz	WSPSWORLJSUGTO-UHFFFAOYSA-N	-1	3	378.314	1.338	40	0		GDABHM
O=C(C[N-]S(=O)(=O)c1cccs1)N1CCN(C2CCCCC2)C(=O)C1	ZINC000012205984	204383108	/nfs/dbraw/zinc/38/31/08/204383108.db2.gz	UOXABKCJIJSCKT-UHFFFAOYSA-N	-1	3	385.511	1.030	40	0		GDABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1	ZINC000062107157	205186288	/nfs/dbraw/zinc/18/62/88/205186288.db2.gz	FVCNSIJBXRHZAG-UHFFFAOYSA-N	-1	3	389.477	1.884	40	0		GDABHM
COc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCCCC3)[n-]c(=O)c21	ZINC000019818997	570222010	/nfs/dbraw/zinc/22/20/10/570222010.db2.gz	TUKOBDFSBSPUSC-GFCCVEGCSA-N	-1	3	397.435	1.833	40	0		GDABHM
N=C(NCCC[C@H](NC(=O)c1ccccc1)C(=O)[O-])NC(=O)c1ccccc1	ZINC000001572161	570265000	/nfs/dbraw/zinc/26/50/00/570265000.db2.gz	YGJAEDBTNHZJQX-INIZCTEOSA-N	-1	3	382.420	1.604	40	0		GDABHM
COc1ccc(-n2c(=O)[nH]c(C(=O)[O-])c(CN3CCCC3)c2=O)cc1Cl	ZINC000222675352	570420174	/nfs/dbraw/zinc/42/01/74/570420174.db2.gz	VSQWNOYAOOAHOR-UHFFFAOYSA-N	-1	3	379.800	1.482	40	0		GDABHM
CN(C)c1nc([C@H]2CCN(C(=O)CCN3Cc4ccccc4C3=O)C2)cc(=O)[n-]1	ZINC000012367454	570647251	/nfs/dbraw/zinc/64/72/51/570647251.db2.gz	OLMFAILCECRPJX-HNNXBMFYSA-N	-1	3	395.463	1.610	40	0		GDABHM
Cc1nc(N2CCC[C@@H](NC(=O)C[C@@H]3NC(=O)c4ccccc43)C2)[n-]c(=O)c1C	ZINC000257256071	570895013	/nfs/dbraw/zinc/89/50/13/570895013.db2.gz	KJYVTNWSPYSMKB-PBHICJAKSA-N	-1	3	395.463	1.759	40	0		GDABHM
CC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCCN3C(=O)Cc3ccccc3)nc2C1	ZINC000019019024	570954735	/nfs/dbraw/zinc/95/47/35/570954735.db2.gz	SQRWIRKFWBGTEK-SFHVURJKSA-N	-1	3	380.448	1.993	40	0		GDABHM
CC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3cccnc3)[n-]c2=O)C1	ZINC000019019001	570954780	/nfs/dbraw/zinc/95/47/80/570954780.db2.gz	UQENQLZYGGNUGR-KRWDZBQOSA-N	-1	3	381.436	1.849	40	0		GDABHM
O=C(Cn1cccnc1=O)N1CCCC[C@H]1c1nc(-c2ccsc2)cc(=O)[n-]1	ZINC000019403622	570982867	/nfs/dbraw/zinc/98/28/67/570982867.db2.gz	RPJPOVUZSRIHSI-HNNXBMFYSA-N	-1	3	397.460	1.809	40	0		GDABHM
C[C@]1(CCC(=O)N2CCC[C@H](COc3ccccc3F)C2)NC(=O)[N-]C1=O	ZINC000019460272	570988536	/nfs/dbraw/zinc/98/85/36/570988536.db2.gz	BTVKOYITKRAWJV-ORAYPTAESA-N	-1	3	377.416	1.821	40	0		GDABHM
CCCC(=O)N1CCc2nc([C@H]3CCCN(Cc4cnn(C)c4)C3)[n-]c(=O)c2C1	ZINC000019501601	570992885	/nfs/dbraw/zinc/99/28/85/570992885.db2.gz	LXMQQPXEFRWURK-INIZCTEOSA-N	-1	3	398.511	1.568	40	0		GDABHM
CCc1cc(=O)[n-]c([C@@H]2CCCN2C(=O)CCn2c3ccccc3oc2=O)n1	ZINC000019522530	570995302	/nfs/dbraw/zinc/99/53/02/570995302.db2.gz	UGFJRDUPVZTUMT-HNNXBMFYSA-N	-1	3	382.420	1.994	40	0		GDABHM
Cc1cc(C(=O)NCC(C)(C)c2cccc(F)c2)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000019716345	571038239	/nfs/dbraw/zinc/03/82/39/571038239.db2.gz	RCFZBUTWFGPACQ-UHFFFAOYSA-N	-1	3	384.411	1.777	40	0		GDABHM
C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000010393829	204334542	/nfs/dbraw/zinc/33/45/42/204334542.db2.gz	HJQKHEHBBMAERL-LBPRGKRZSA-N	-1	3	396.490	1.953	40	0		GDABHM
O=C([O-])[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cccnc1	ZINC000071980656	205301903	/nfs/dbraw/zinc/30/19/03/205301903.db2.gz	DXIVEGFBAGFAJC-SFHVURJKSA-N	-1	3	381.432	2.000	40	0		GDABHM
CC(C)(CN1CCOCC1)CN1CCc2nc(-c3ccncc3)[n-]c(=O)c2C1	ZINC000012121814	221154294	/nfs/dbraw/zinc/15/42/94/221154294.db2.gz	KUHHZIVDUZWBSX-UHFFFAOYSA-N	-1	3	383.496	1.961	40	0		GDABHM
Cc1cc(N2CCOCC2)nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2)n1	ZINC000224182470	136206498	/nfs/dbraw/zinc/20/64/98/136206498.db2.gz	GXIQGIDCXZPUDO-UHFFFAOYSA-N	-1	3	382.873	1.754	40	0		GDABHM
CCc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCOCC4)[n-]c(=O)c32)cc1	ZINC000019960999	570233720	/nfs/dbraw/zinc/23/37/20/570233720.db2.gz	DHKJJNLYVQNUME-AWEZNQCLSA-N	-1	3	397.435	1.233	40	0		GDABHM
CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCOCC3)[n-]c(=O)c21	ZINC000020800173	570281246	/nfs/dbraw/zinc/28/12/46/570281246.db2.gz	LESSWYFQJDLIFB-ZDUSSCGKSA-N	-1	3	397.435	1.233	40	0		GDABHM
C[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1cc(=O)[n-]c(N2CCC(C)CC2)n1	ZINC000019497000	570990077	/nfs/dbraw/zinc/99/00/77/570990077.db2.gz	CYXVGKMOXHSRFX-KBPBESRZSA-N	-1	3	396.513	1.008	40	0		GDABHM
COc1ccc(C)cc1NC(=O)C1CC(=O)Nc2nc(N3CCCC3)[n-]c(=O)c21	ZINC000040390734	205062399	/nfs/dbraw/zinc/06/23/99/205062399.db2.gz	UMAQTWLUEUKLID-LBPRGKRZSA-N	-1	3	397.435	1.752	40	0		GDABHM
CCCc1cc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)=O)C3)no1	ZINC000019525330	221421010	/nfs/dbraw/zinc/42/10/10/221421010.db2.gz	CBNWLDKOJLCLLO-KRWDZBQOSA-N	-1	3	399.451	1.592	40	0		GDABHM
COc1ccc([C@H]2CC(=O)c3cnc4c(c(=O)[n-]c(=O)n4C)c3C2)cc1OC	ZINC000019821235	570222829	/nfs/dbraw/zinc/22/28/29/570222829.db2.gz	UEWQDKKNJDLDGR-LLVKDONJSA-N	-1	3	381.388	1.552	40	0		GDABHM
CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCCC3)[n-]c(=O)c21	ZINC000019961190	570233793	/nfs/dbraw/zinc/23/37/93/570233793.db2.gz	ABYBMSRFVNUUEF-CYBMUJFWSA-N	-1	3	381.436	1.997	40	0		GDABHM
CCc1cc(=O)[n-]c(NC2CCN(CC(=O)Nc3cccc(OC)c3)CC2)n1	ZINC000012113698	570609598	/nfs/dbraw/zinc/60/95/98/570609598.db2.gz	ZDGZSMYCQJAUTI-UHFFFAOYSA-N	-1	3	385.468	1.856	40	0		GDABHM
COc1ccc(S(=O)(=O)NCc2cc(=O)[n-]c(N3CCC(C)CC3)n2)cc1	ZINC000019497062	570926882	/nfs/dbraw/zinc/92/68/82/570926882.db2.gz	JIZSFYMNZGSMQQ-UHFFFAOYSA-N	-1	3	392.481	1.493	40	0		GDABHM
Cc1cccc(N2C[C@@H](c3cc(=O)[n-]c(N(C)CCN(C)C)n3)CC2=O)c1C	ZINC000019235547	570966043	/nfs/dbraw/zinc/96/60/43/570966043.db2.gz	RWZKTXNGPAILOF-INIZCTEOSA-N	-1	3	383.496	1.905	40	0		GDABHM
Cc1cccc(C)c1Nc1noc2c1CN(C(=O)CC[C@H]1NC(=O)[N-]C1=O)CC2	ZINC000019235763	570966090	/nfs/dbraw/zinc/96/60/90/570966090.db2.gz	QWIKGLPPRXXIGD-CQSZACIVSA-N	-1	3	397.435	1.908	40	0		GDABHM
C[C@@H](NC(=O)c1ccc2ncccc2c1)c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000019458384	570987953	/nfs/dbraw/zinc/98/79/53/570987953.db2.gz	HOLHDEREBNNARS-CQSZACIVSA-N	-1	3	392.463	1.561	40	0		GDABHM
CN1CCN(c2nc(CNC(=O)C3(c4cccc(F)c4)CC3)cc(=O)[n-]2)CC1	ZINC000019590108	571017480	/nfs/dbraw/zinc/01/74/80/571017480.db2.gz	JLZSCHAUEWOZHN-UHFFFAOYSA-N	-1	3	385.443	1.421	40	0		GDABHM
C[C@@H](c1cc(=O)[n-]c(NCCN2CCCC2=O)n1)n1ncc2ccccc2c1=O	ZINC000019717471	571040056	/nfs/dbraw/zinc/04/00/56/571040056.db2.gz	WZHDLWAQTHLGQM-ZDUSSCGKSA-N	-1	3	394.435	1.123	40	0		GDABHM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCC[C@@H](C)C2)s1	ZINC000225212940	531030046	/nfs/dbraw/zinc/03/00/46/531030046.db2.gz	PWPUKAISRFUJSE-LLVKDONJSA-N	-1	3	375.520	1.287	40	0		GDABHM
CC(=O)N1CCc2c(=O)[n-]c([C@H]3CCN(C(=O)Cc4ccccc4)C3)nc2C1	ZINC000019019111	204622223	/nfs/dbraw/zinc/62/22/23/204622223.db2.gz	MQCXGJPVWASIGH-INIZCTEOSA-N	-1	3	380.448	1.233	40	0		GDABHM
O=C(CNC(=O)c1ccccc1)N1CCC[C@]2(Cc3c([nH]c(=O)[n-]c3=O)O2)CC1	ZINC000257283977	206172930	/nfs/dbraw/zinc/17/29/30/206172930.db2.gz	PATFZWGCWMFRGH-HXUWFJFHSA-N	-1	3	398.419	1.004	40	0		GDABHM
CCN(Cc1ccc(OCC(=O)[O-])cc1)C[C@]1(C)Cc2c(nc(N)nc2N)O1	ZINC000257304214	206176346	/nfs/dbraw/zinc/17/63/46/206176346.db2.gz	SKODASLCTWYFKV-IBGZPJMESA-N	-1	3	387.440	1.320	40	0		GDABHM
CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCCC3)[n-]c(=O)c21	ZINC000019961194	570233656	/nfs/dbraw/zinc/23/36/56/570233656.db2.gz	ABYBMSRFVNUUEF-ZDUSSCGKSA-N	-1	3	381.436	1.997	40	0		GDABHM
COc1ccc(OC)c(-n2c(=O)[nH]c(C(=O)[O-])c(CN3CCCCC3)c2=O)c1	ZINC000222674072	570420145	/nfs/dbraw/zinc/42/01/45/570420145.db2.gz	XGESLSJHQVNXNK-UHFFFAOYSA-N	-1	3	389.408	1.227	40	0		GDABHM
CSCC[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	ZINC000100779143	570710882	/nfs/dbraw/zinc/71/08/82/570710882.db2.gz	PDAPPZMPVIHFMQ-LJISPDSOSA-N	-1	3	387.546	1.215	40	0		GDABHM
CSCC[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)CC1	ZINC000100776908	570710933	/nfs/dbraw/zinc/71/09/33/570710933.db2.gz	PDAPPZMPVIHFMQ-XGUBFFRZSA-N	-1	3	387.546	1.215	40	0		GDABHM
O=C(NCC1CCOCC1)[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21	ZINC000585094649	570921332	/nfs/dbraw/zinc/92/13/32/570921332.db2.gz	LEBTZBUNTMSQCC-GOSISDBHSA-N	-1	3	384.436	1.329	40	0		GDABHM
Cc1ccn(CCC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)n1	ZINC000019238069	570967474	/nfs/dbraw/zinc/96/74/74/570967474.db2.gz	RMLSUFWYOLVRBC-OAHLLOKOSA-N	-1	3	384.484	1.059	40	0		GDABHM
CCCC(=O)N1CCc2nc([C@@H]3CCCN(Cc4cnn(C)c4)C3)[n-]c(=O)c2C1	ZINC000019501600	570993135	/nfs/dbraw/zinc/99/31/35/570993135.db2.gz	LXMQQPXEFRWURK-MRXNPFEDSA-N	-1	3	398.511	1.568	40	0		GDABHM
CCn1cnc2sc(C(=O)N3CCc4nc(C)[n-]c(=O)c4CC3)c(C)c2c1=O	ZINC000019578163	571012396	/nfs/dbraw/zinc/01/23/96/571012396.db2.gz	LLOCIRHLGHBYER-UHFFFAOYSA-N	-1	3	399.476	1.419	40	0		GDABHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCO)cc2)cc1Cl	ZINC000408595818	231073084	/nfs/dbraw/zinc/07/30/84/231073084.db2.gz	UZHFGVMDLYCGSC-UHFFFAOYSA-N	-1	3	398.868	1.937	40	0		GDABHM
O=C(COc1ccccc1)N1CCc2nc(-c3ccncc3)[n-]c(=O)c2CC1	ZINC000019373481	207119275	/nfs/dbraw/zinc/11/92/75/207119275.db2.gz	CZIWICNCMXTXIA-UHFFFAOYSA-N	-1	3	376.416	1.838	40	0		GDABHM
CCCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)CN(C)C)CC2	ZINC000019501343	207127015	/nfs/dbraw/zinc/12/70/15/207127015.db2.gz	NNUUMSDLMAUELS-HNNXBMFYSA-N	-1	3	375.473	1.092	40	0		GDABHM
CC(C)Oc1cccc(CN2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)c1	ZINC000019450899	207121981	/nfs/dbraw/zinc/12/19/81/207121981.db2.gz	ULIPLITWGTZGJH-UHFFFAOYSA-N	-1	3	398.507	1.995	40	0		GDABHM
CN(C)c1ncccc1CN1CCc2nc(N3CCOCC3)[n-]c(=O)c2CC1	ZINC000019584145	207140051	/nfs/dbraw/zinc/14/00/51/207140051.db2.gz	PBEYMXCRWYPLEW-UHFFFAOYSA-N	-1	3	384.484	1.081	40	0		GDABHM
COc1ccc(CN2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)c(OC)c1	ZINC000019552499	207132787	/nfs/dbraw/zinc/13/27/87/207132787.db2.gz	UHHJVHQCJGPMRI-UHFFFAOYSA-N	-1	3	393.447	1.845	40	0		GDABHM
CCc1cc(C(=O)NCCN(C)c2ccccc2)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000019663591	207147482	/nfs/dbraw/zinc/14/74/82/207147482.db2.gz	IQRQJGJQBBRULP-UHFFFAOYSA-N	-1	3	381.436	1.050	40	0		GDABHM
C=Cn1cc(CN2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)=O)C3)c(C)n1	ZINC000019584219	207140413	/nfs/dbraw/zinc/14/04/13/207140413.db2.gz	QWGPIZXTQIGTFD-GOSISDBHSA-N	-1	3	382.468	1.617	40	0		GDABHM
COc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCCCC3)[n-]c(=O)c21	ZINC000019818999	207164494	/nfs/dbraw/zinc/16/44/94/207164494.db2.gz	TUKOBDFSBSPUSC-LBPRGKRZSA-N	-1	3	397.435	1.833	40	0		GDABHM
COc1ccc([C@@H]2CC(=O)c3cnc4c(c(=O)[n-]c(=O)n4C)c3C2)cc1OC	ZINC000019821233	207165301	/nfs/dbraw/zinc/16/53/01/207165301.db2.gz	UEWQDKKNJDLDGR-NSHDSACASA-N	-1	3	381.388	1.552	40	0		GDABHM
Cc1cc(N2CCOCC2)nc(C[N-]S(=O)(=O)c2ccc(F)cc2F)n1	ZINC000224183961	136206461	/nfs/dbraw/zinc/20/64/61/136206461.db2.gz	FCMPWUBWFVEHOR-UHFFFAOYSA-N	-1	3	384.408	1.378	40	0		GDABHM
CC(=O)N1CCN([C@@H]2CCCC[C@@H](NC(=O)c3cccc(F)c3[O-])[C@H]2O)CC1	ZINC000257342813	209079479	/nfs/dbraw/zinc/07/94/79/209079479.db2.gz	ZQGFOPCOFJXKSG-ZHALLVOQSA-N	-1	3	393.459	1.097	40	0		GDABHM
O=C(NCc1ccccn1)[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21	ZINC000575404387	570520838	/nfs/dbraw/zinc/52/08/38/570520838.db2.gz	BNPKIFHKSPPDCA-SFHVURJKSA-N	-1	3	377.404	1.497	40	0		GDABHM
COc1ccc(NC(=O)C2([N-]S(=O)(=O)Cc3ccc(F)cc3F)CC2)cn1	ZINC000225928123	570633985	/nfs/dbraw/zinc/63/39/85/570633985.db2.gz	WLZDKRSXJMRUOE-UHFFFAOYSA-N	-1	3	397.403	1.959	40	0		GDABHM
CC(=O)N1CCN(c2nc([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)cc(=O)[n-]2)CC1	ZINC000019017875	207099940	/nfs/dbraw/zinc/09/99/40/207099940.db2.gz	BSSSOZYCFOZDKP-CQSZACIVSA-N	-1	3	399.426	1.510	40	0		GDABHM
CC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCN(C(=O)c4cccc(F)c4)C3)nc2C1	ZINC000019019139	207101293	/nfs/dbraw/zinc/10/12/93/207101293.db2.gz	PCCSJOJEPPGNDK-CQSZACIVSA-N	-1	3	384.411	1.856	40	0		GDABHM
Cc1ccc(C(=O)N2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)c(=O)[nH]1	ZINC000019131398	207104618	/nfs/dbraw/zinc/10/46/18/207104618.db2.gz	IADPMHBBQISLTE-CQSZACIVSA-N	-1	3	377.404	1.871	40	0		GDABHM
Cc1cccc(C)c1Nc1noc2c1CN(C(=O)CC[C@@H]1NC(=O)[N-]C1=O)CC2	ZINC000019235762	207108525	/nfs/dbraw/zinc/10/85/25/207108525.db2.gz	QWIKGLPPRXXIGD-AWEZNQCLSA-N	-1	3	397.435	1.908	40	0		GDABHM
Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)Nc1ccc2ncn(C)c2c1	ZINC000019718178	207155328	/nfs/dbraw/zinc/15/53/28/207155328.db2.gz	BWYHNNHPVFPYQA-UHFFFAOYSA-N	-1	3	377.426	1.485	40	0		GDABHM
O=c1[n-]c(NC2CCN(S(=O)(=O)c3ccccc3)CC2)nc2c1CCCC2	ZINC000072389385	208011566	/nfs/dbraw/zinc/01/15/66/208011566.db2.gz	OANUVAWVLPKPEJ-UHFFFAOYSA-N	-1	3	388.493	1.914	40	0		GDABHM
Cc1cc(C[N-]S(=O)(=O)c2ccccc2Cl)nc(N2CCOCC2)n1	ZINC000224232226	136206546	/nfs/dbraw/zinc/20/65/46/136206546.db2.gz	JWQLYRQUDVIWAG-UHFFFAOYSA-N	-1	3	382.873	1.754	40	0		GDABHM
Cc1nc2ccccc2n1CC(=O)N1CCc2c(=O)[n-]c(N3CCCC3)nc2C1	ZINC000072346943	222233350	/nfs/dbraw/zinc/23/33/50/222233350.db2.gz	NHIDVGSEIDLPET-UHFFFAOYSA-N	-1	3	392.463	1.613	40	0		GDABHM
CC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)Cc3ccccc3)[n-]c2=O)C1	ZINC000019018962	207101687	/nfs/dbraw/zinc/10/16/87/207101687.db2.gz	UAFDVGPLQRCXJP-LJQANCHMSA-N	-1	3	394.475	1.971	40	0		GDABHM
Cc1nc2c(c(=O)[n-]1)C[C@@H]1CC[C@H](C2)N1C(=O)CCn1ncc2ccccc21	ZINC000019286314	207113235	/nfs/dbraw/zinc/11/32/35/207113235.db2.gz	XOKZEHGUTCBPSD-JKSUJKDBSA-N	-1	3	377.448	1.977	40	0		GDABHM
CCn1cc(S(=O)(=O)N[C@H](C)c2cc(=O)[n-]c(N3CCC(C)CC3)n2)cn1	ZINC000019525094	207127857	/nfs/dbraw/zinc/12/78/57/207127857.db2.gz	SQUZDSRVAINZDH-CYBMUJFWSA-N	-1	3	394.501	1.262	40	0		GDABHM
CC(C)[C@H](NCc1nc2ccccc2n1C)c1cc(=O)[n-]c(N2CCOCC2)n1	ZINC000019445553	207121479	/nfs/dbraw/zinc/12/14/79/207121479.db2.gz	OBWYDKPMYXXTSE-FQEVSTJZSA-N	-1	3	396.495	1.980	40	0		GDABHM
COc1cccc(CN2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)c1F	ZINC000019567166	207135770	/nfs/dbraw/zinc/13/57/70/207135770.db2.gz	ORTHWIWFIHANLL-UHFFFAOYSA-N	-1	3	388.443	1.355	40	0		GDABHM
CC(=O)OCc1ccc(CN2CCc3c(nc(N4CCCCC4)[n-]c3=O)C2)o1	ZINC000072335538	136168462	/nfs/dbraw/zinc/16/84/62/136168462.db2.gz	FRBIZARVUULNLM-UHFFFAOYSA-N	-1	3	386.452	1.975	40	0		GDABHM
COc1ccc(-c2ccc(SCC(=O)Nc3c[nH]c(=O)[n-]c3=O)nn2)cc1	ZINC000035314303	570468643	/nfs/dbraw/zinc/46/86/43/570468643.db2.gz	XYRZUXASTOHXMW-UHFFFAOYSA-N	-1	3	385.405	1.260	40	0		GDABHM
COc1ccc(CC(=O)N2CC[C@H](c3cc(=O)[n-]c(N(C)C)n3)C2)cc1OC	ZINC000012367297	570647112	/nfs/dbraw/zinc/64/71/12/570647112.db2.gz	PDYJYAOYRRHHBB-AWEZNQCLSA-N	-1	3	386.452	1.824	40	0		GDABHM
CN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccccc1Br	ZINC000071980051	530805200	/nfs/dbraw/zinc/80/52/00/530805200.db2.gz	UGOWBDMBDIMHHJ-ZDUSSCGKSA-N	-1	3	383.242	1.797	40	0		GDABHM
COc1ccc2c(c1)CCC[C@H]2[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000225159150	531030035	/nfs/dbraw/zinc/03/00/35/531030035.db2.gz	URPBORBBJMZXGY-CYBMUJFWSA-N	-1	3	382.467	1.861	40	0		GDABHM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCCC[C@@H]2CC)s1	ZINC000224921919	531030190	/nfs/dbraw/zinc/03/01/90/531030190.db2.gz	OOQJSFVYCFIRMO-LBPRGKRZSA-N	-1	3	389.547	1.820	40	0		GDABHM
O=C(C1CC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2	ZINC000019339277	207117372	/nfs/dbraw/zinc/11/73/72/207117372.db2.gz	QVCQJIXSLOAUTI-SFHVURJKSA-N	-1	3	379.464	1.797	40	0		GDABHM
CCn1c(C[N-]S(=O)(=O)c2cnc(NC(C)=O)s2)nc2ccccc21	ZINC000019524376	207128572	/nfs/dbraw/zinc/12/85/72/207128572.db2.gz	SURAHJLJZBISAX-UHFFFAOYSA-N	-1	3	379.467	1.950	40	0		GDABHM
CCn1nc2c(c1C(=O)N[C@@H](C)c1cc(=O)[n-]c(N3CCCC3)n1)CCCC2	ZINC000019524099	207129238	/nfs/dbraw/zinc/12/92/38/207129238.db2.gz	PFAXTSKOLWAJSN-ZDUSSCGKSA-N	-1	3	384.484	1.956	40	0		GDABHM
COCCc1ncc(CN2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cn1	ZINC000019593837	207144419	/nfs/dbraw/zinc/14/44/19/207144419.db2.gz	GMHWACHYPUZTDH-QGZVFWFLSA-N	-1	3	392.463	1.800	40	0		GDABHM
Cc1nc(Cl)cc(N2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[n-]c3=O)C2)n1	ZINC000058506304	136155601	/nfs/dbraw/zinc/15/56/01/136155601.db2.gz	DXHJKOYVDXNOFU-QWRGUYRKSA-N	-1	3	390.875	1.698	40	0		GDABHM
CCN1CCN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	ZINC000409392346	529130827	/nfs/dbraw/zinc/13/08/27/529130827.db2.gz	RKYMFGBRXHPGRD-LLVKDONJSA-N	-1	3	394.324	1.824	40	0		GDABHM
O=C(Cc1cc(=O)n2[n-]cc(-c3ccc(F)cc3)c2n1)NCCN1CCCCC1	ZINC000575402074	570522884	/nfs/dbraw/zinc/52/28/84/570522884.db2.gz	VOPUDTHBJIZBOG-UHFFFAOYSA-N	-1	3	397.454	1.973	40	0		GDABHM
CCn1ncc(C(=O)N2C[C@@H]3c4nc(N5CCCC5)[n-]c(=O)c4CC[C@@H]3C2)c1C	ZINC000012120082	570613149	/nfs/dbraw/zinc/61/31/49/570613149.db2.gz	BAOAYQVVQAJXMM-PBHICJAKSA-N	-1	3	396.495	1.697	40	0		GDABHM
O=C(Nc1ccccc1Cl)N1CCc2nc(N3CCOCC3)[n-]c(=O)c2C1	ZINC000012144554	570615992	/nfs/dbraw/zinc/61/59/92/570615992.db2.gz	OPNIDKTZJUHYPL-UHFFFAOYSA-N	-1	3	389.843	1.850	40	0		GDABHM
CN(C)c1nc([C@@H]2CCN(C(=O)CN3Cc4ccccc4C3=O)C2)cc(=O)[n-]1	ZINC000012367376	570647196	/nfs/dbraw/zinc/64/71/96/570647196.db2.gz	FMUMGFHPEHGZQY-CQSZACIVSA-N	-1	3	381.436	1.220	40	0		GDABHM
CN(C)c1nc([C@H]2CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)cc(=O)[n-]1	ZINC000012367387	570647264	/nfs/dbraw/zinc/64/72/64/570647264.db2.gz	WTFXMAREQPREAL-ZDUSSCGKSA-N	-1	3	396.451	1.068	40	0		GDABHM
CS(=O)(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1	ZINC000005704447	206262651	/nfs/dbraw/zinc/26/26/51/206262651.db2.gz	JBQTXUGGVFDBSC-CYBMUJFWSA-N	-1	3	388.453	1.114	40	0		GDABHM
CC(=O)N1CCc2c(=O)[n-]c([C@H]3CCN(C(=O)Cc4ccccc4F)C3)nc2C1	ZINC000019019117	207100650	/nfs/dbraw/zinc/10/06/50/207100650.db2.gz	RQBQBKSBAKBWLB-HNNXBMFYSA-N	-1	3	398.438	1.785	40	0		GDABHM
CC(C)(C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(S(C)(=O)=O)CC3)C1	ZINC000019081288	207102687	/nfs/dbraw/zinc/10/26/87/207102687.db2.gz	GNZVATFFBLYCON-LBPRGKRZSA-N	-1	3	396.513	1.252	40	0		GDABHM
CCCC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2	ZINC000019501336	207126426	/nfs/dbraw/zinc/12/64/26/207126426.db2.gz	WUBFVSALLPJIOL-QGZVFWFLSA-N	-1	3	395.463	1.827	40	0		GDABHM
CC(=O)N1CCc2c(=O)[n-]c([C@H]3CCCN3C(=O)c3cc(C(C)C)no3)nc2C1	ZINC000019452896	207121624	/nfs/dbraw/zinc/12/16/24/207121624.db2.gz	KPCZVLVAZPJSCM-MRXNPFEDSA-N	-1	3	399.451	1.763	40	0		GDABHM
COc1ccc([C@@H](NC(=O)c2cc(C)nc3c2c(=O)[n-]c(=O)n3C)C2CC2)cc1	ZINC000019716375	207154211	/nfs/dbraw/zinc/15/42/11/207154211.db2.gz	FRFLJVMMOGXTCH-KRWDZBQOSA-N	-1	3	394.431	1.820	40	0		GDABHM
Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCOCC4)[n-]c(=O)c32)cc1C	ZINC000019961081	207173797	/nfs/dbraw/zinc/17/37/97/207173797.db2.gz	XQZHTOUWBLXSPE-AWEZNQCLSA-N	-1	3	397.435	1.288	40	0		GDABHM
O=c1[n-]c(N2CCOCC2)nc2c1CCN(Cc1cccn1-c1cccnc1)C2	ZINC000072335526	136168432	/nfs/dbraw/zinc/16/84/32/136168432.db2.gz	FVLJYLICFRYVML-UHFFFAOYSA-N	-1	3	392.463	1.351	40	0		GDABHM
O=C(NCC[C@@H]1CCOC12CN(C(=O)c1cccc([O-])c1)C2)c1ccncc1	ZINC000575403129	570519777	/nfs/dbraw/zinc/51/97/77/570519777.db2.gz	DHGYRDFEXXLEFA-QGZVFWFLSA-N	-1	3	381.432	1.838	40	0		GDABHM
CC(C)C[C@@H](N)C(=O)NC[C@@H]1CC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	ZINC000100779233	570710952	/nfs/dbraw/zinc/71/09/52/570710952.db2.gz	WHAXKINQLQZULX-TWMKSMIVSA-N	-1	3	383.533	1.898	40	0		GDABHM
CCCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(N(C)C)cc1	ZINC000071980395	570857922	/nfs/dbraw/zinc/85/79/22/570857922.db2.gz	CNTGXSOPWNPJJI-KRWDZBQOSA-N	-1	3	375.469	1.880	40	0		GDABHM
O=C(NC[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21)c1cscn1	ZINC000585095395	570921809	/nfs/dbraw/zinc/92/18/09/570921809.db2.gz	VBFVALNQPPRQGJ-AWEZNQCLSA-N	-1	3	383.433	1.672	40	0		GDABHM
O=C([O-])c1[nH]c(=O)n(-c2cccc(Br)c2)c(=O)c1CN1CCCC1	ZINC000222665357	531028675	/nfs/dbraw/zinc/02/86/75/531028675.db2.gz	IKXINQHLPOVBAJ-UHFFFAOYSA-N	-1	3	394.225	1.582	40	0		GDABHM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCC[C@@H](C)C2)s1	ZINC000224868472	531030013	/nfs/dbraw/zinc/03/00/13/531030013.db2.gz	YLGFCXHVUIBZSE-GFCCVEGCSA-N	-1	3	389.547	1.533	40	0		GDABHM
Cc1ccc(=O)n(CC(=O)N2CCC[C@H]2c2nc(-c3ccccn3)cc(=O)[n-]2)n1	ZINC000019131024	207103703	/nfs/dbraw/zinc/10/37/03/207103703.db2.gz	APDJGZQGQGLZFK-INIZCTEOSA-N	-1	3	392.419	1.473	40	0		GDABHM
C[C@@H](NC(=O)c1ccc(F)c(Cl)c1)c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000019458380	207124325	/nfs/dbraw/zinc/12/43/25/207124325.db2.gz	FEQHZMYJCXBYHZ-LLVKDONJSA-N	-1	3	393.850	1.805	40	0		GDABHM
CCc1cc(=O)[n-]c([C@H]2CCCN(C(=O)COc3ccc4c(c3)OCO4)C2)n1	ZINC000019522479	207127463	/nfs/dbraw/zinc/12/74/63/207127463.db2.gz	CGQFQLIWNMTQIQ-ZDUSSCGKSA-N	-1	3	385.420	1.846	40	0		GDABHM
COc1ncc(CN2CCC[C@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)cn1	ZINC000019572111	207138343	/nfs/dbraw/zinc/13/83/43/207138343.db2.gz	BXOULIASIQNIAU-INIZCTEOSA-N	-1	3	384.484	1.938	40	0		GDABHM
COc1ccc(S(=O)(=O)CC[N-]S(=O)(=O)c2sc(C)nc2C)cc1	ZINC000019715982	207153725	/nfs/dbraw/zinc/15/37/25/207153725.db2.gz	XSVNDMFOOLLYSZ-UHFFFAOYSA-N	-1	3	390.508	1.521	40	0		GDABHM
COc1nn(Cc2cc(=O)[n-]c(NCc3cccnc3)n2)c(=O)c2ccccc21	ZINC000019717557	207153853	/nfs/dbraw/zinc/15/38/53/207153853.db2.gz	RAURICWYTRYWOD-UHFFFAOYSA-N	-1	3	390.403	1.544	40	0		GDABHM
COc1ccc([C@H]2CCCN2C(=O)C[N-]S(=O)(=O)c2c(C)noc2C)cc1	ZINC000019718696	207155464	/nfs/dbraw/zinc/15/54/64/207155464.db2.gz	DNSPXBYBMLSLNA-MRXNPFEDSA-N	-1	3	393.465	1.942	40	0		GDABHM
COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c([O-])c(OC)c2)C1=O	ZINC000408548559	533500625	/nfs/dbraw/zinc/50/06/25/533500625.db2.gz	IRQUHYUGLQNWGX-RUDMXATFSA-N	-1	3	385.170	1.229	40	0		GDABHM
Cc1cc(N2CCOCC2)nc(C[N-]S(=O)(=O)c2ccccc2Cl)n1	ZINC000224183646	136206403	/nfs/dbraw/zinc/20/64/03/136206403.db2.gz	WDBTWNJQCFTELG-UHFFFAOYSA-N	-1	3	382.873	1.754	40	0		GDABHM
NC(=O)[C@@H]1CCCN1CC[C@H]1CN(C(=O)c2ccccc2)CC[C@H]1CC(=O)[O-]	ZINC000020463016	560093072	/nfs/dbraw/zinc/09/30/72/560093072.db2.gz	XWSKLFDALAGOEG-BZSNNMDCSA-N	-1	3	387.480	1.579	40	0	biogenic,in-vitro	GDABHM
O=C([N-][C@H]1CS(=O)(=O)C[C@@H]1NCc1ccccc1)C(Cl)(Cl)Cl	ZINC000575421126	570307133	/nfs/dbraw/zinc/30/71/33/570307133.db2.gz	NAQMEYDZRGLXTN-QWRGUYRKSA-N	-1	3	385.700	1.428	40	0		GDABHM
COCCc1ncc(CN2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)cn1	ZINC000012122243	570613051	/nfs/dbraw/zinc/61/30/51/570613051.db2.gz	WMMKGALMYVILFG-UHFFFAOYSA-N	-1	3	378.436	1.781	40	0		GDABHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)NCCCOC(C)C	ZINC000408627030	231087112	/nfs/dbraw/zinc/08/71/12/231087112.db2.gz	XLUPARRDEGOMBG-LBPRGKRZSA-N	-1	3	392.905	1.947	40	0		GDABHM
CN(C)c1ncc(CN2CCc3nc(-c4ccccn4)[n-]c(=O)c3CC2)cn1	ZINC000019585554	207139991	/nfs/dbraw/zinc/13/99/91/207139991.db2.gz	UGEFYYXYZNNLHW-UHFFFAOYSA-N	-1	3	377.452	1.289	40	0		GDABHM
COc1cccc2c1OC[C@@H](C(=O)NCc1cc(=O)[n-]c(-c3cccnc3)n1)C2	ZINC000019568325	207136691	/nfs/dbraw/zinc/13/66/91/207136691.db2.gz	USRCJSBVWOQISN-HNNXBMFYSA-N	-1	3	392.415	1.708	40	0		GDABHM
Cc1nn(C)c(C)c1CCNC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2C	ZINC000019714533	207151663	/nfs/dbraw/zinc/15/16/63/207151663.db2.gz	ARNJXXIQKCTHKJ-UHFFFAOYSA-N	-1	3	398.467	1.068	40	0		GDABHM
COc1cc(C)ccc1OCCNC(=O)c1cc(C)nc2c1c(=O)[n-]c(=O)n2C	ZINC000019716364	207153973	/nfs/dbraw/zinc/15/39/73/207153973.db2.gz	NLJOOOBTEDWDMU-UHFFFAOYSA-N	-1	3	398.419	1.056	40	0		GDABHM
Cc1nc(C)c(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(=O)[n-]1	ZINC000019937486	207171493	/nfs/dbraw/zinc/17/14/93/207171493.db2.gz	BGEIEUBPELBRGN-UHFFFAOYSA-N	-1	3	384.436	1.002	40	0		GDABHM
CCOC(=O)Cc1csc(NC(=O)C[C@H](NCc2ccco2)C(=O)[O-])n1	ZINC000096305823	208304112	/nfs/dbraw/zinc/30/41/12/208304112.db2.gz	DQFAOHPOKMVNAX-LBPRGKRZSA-N	-1	3	381.410	1.413	40	0		GDABHM
COCC(=O)N1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CCN(C(C)C)C3	ZINC000100234065	208374775	/nfs/dbraw/zinc/37/47/75/208374775.db2.gz	MUDZAAKQJRCXGS-QGZVFWFLSA-N	-1	3	387.484	1.901	40	0		GDABHM
O=S(=O)([N-]C[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCOCC1)c1cccs1	ZINC000095252497	209005852	/nfs/dbraw/zinc/00/58/52/209005852.db2.gz	KUVQAIQMCRSOEO-HRCADAONSA-N	-1	3	385.555	1.069	40	0	biogenic,in-vitro	GDABHM
CN(C)c1nc([C@@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)cc(=O)[n-]1	ZINC000072395236	222251923	/nfs/dbraw/zinc/25/19/23/222251923.db2.gz	PISUZFRSUOGGPQ-CYBMUJFWSA-N	-1	3	383.452	1.033	40	0		GDABHM
Cc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2[N-]C(=O)C(Cl)(Cl)Cl)cc1	ZINC000575420003	570307385	/nfs/dbraw/zinc/30/73/85/570307385.db2.gz	CZPLJPSEANCBIJ-RYUDHWBXSA-N	-1	3	399.727	1.737	40	0		GDABHM
O=S(=O)(NN=c1nc(N2CCCC2)nc(N2CCCC2)[n-]1)c1ccccc1	ZINC000006575496	570483966	/nfs/dbraw/zinc/48/39/66/570483966.db2.gz	DGDVEZZOWHCBPL-UHFFFAOYSA-N	-1	3	389.485	1.377	40	0		GDABHM
Cc1cc(=O)[n-]c(-c2cccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)c2)n1	ZINC000226046319	570639995	/nfs/dbraw/zinc/63/99/95/570639995.db2.gz	RQGATIGYTJRAPA-UHFFFAOYSA-N	-1	3	390.465	1.355	40	0		GDABHM
Cc1noc(C)c1CC(=O)N1CC[C@@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1	ZINC000019580307	207140199	/nfs/dbraw/zinc/14/01/99/207140199.db2.gz	CHCOWIQYPAQMME-OAHLLOKOSA-N	-1	3	379.420	1.995	40	0		GDABHM
COc1ccc(OC)c(CN2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)c1	ZINC000019551679	207132608	/nfs/dbraw/zinc/13/26/08/207132608.db2.gz	ZAUIYRNPUIIAAW-UHFFFAOYSA-N	-1	3	393.447	1.845	40	0		GDABHM
CCOC(=O)N1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)CC1	ZINC000030850206	207376186	/nfs/dbraw/zinc/37/61/86/207376186.db2.gz	NLYLPEGQLZPIGH-UHFFFAOYSA-N	-1	3	389.861	1.626	40	0		GDABHM
Cc1nnc([N-]C(=O)c2nn(-c3ccccn3)c3c2CS(=O)(=O)CC3)s1	ZINC000041070416	208383198	/nfs/dbraw/zinc/38/31/98/208383198.db2.gz	USAKPHPQUPCQMU-UHFFFAOYSA-N	-1	3	390.450	1.150	40	0		GDABHM
O=C(NC[C@H]1CCC2(CN(C(=O)c3cccc([O-])c3)C2)OC1)c1ccncc1	ZINC000575404134	570520577	/nfs/dbraw/zinc/52/05/77/570520577.db2.gz	MLPOFPDDEUEUQB-OAHLLOKOSA-N	-1	3	381.432	1.838	40	0		GDABHM
Cc1nc(Cl)cc(N2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[n-]c3=O)C2)n1	ZINC000045369906	570647157	/nfs/dbraw/zinc/64/71/57/570647157.db2.gz	DXHJKOYVDXNOFU-PHIMTYICSA-N	-1	3	390.875	1.698	40	0		GDABHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCO)c(C)c2)cc1	ZINC000409386359	231199730	/nfs/dbraw/zinc/19/97/30/231199730.db2.gz	MXNUMCODYUCVGQ-UHFFFAOYSA-N	-1	3	392.477	1.982	40	0		GDABHM
CN1C[C@@H]([N-]S(=O)(=O)c2cccs2)C[C@H]1c1nc(-c2cnccn2)no1	ZINC000012529716	291108463	/nfs/dbraw/zinc/10/84/63/291108463.db2.gz	XNAALRRLQGHQPQ-JQWIXIFHSA-N	-1	3	392.466	1.312	40	0	biogenic,in-vitro	GDABHM
CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1cccnc1)C2	ZINC000019498837	207124845	/nfs/dbraw/zinc/12/48/45/207124845.db2.gz	NYWSVFKONIAUGE-QGZVFWFLSA-N	-1	3	395.463	1.827	40	0		GDABHM
C=Cn1ncc(CN2CCC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)c1C	ZINC000019554363	207132906	/nfs/dbraw/zinc/13/29/06/207132906.db2.gz	SVAWYHZVUHTGOL-INIZCTEOSA-N	-1	3	384.484	1.592	40	0		GDABHM
CN1CCc2nc([C@H]3CCCN(C(=O)c4cc(C5CC5)n[nH]4)C3)[n-]c(=O)c2C1	ZINC000019590264	207142229	/nfs/dbraw/zinc/14/22/29/207142229.db2.gz	CFHKTYXAVJHJRA-ZDUSSCGKSA-N	-1	3	382.468	1.790	40	0		GDABHM
C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCN(C)CC1	ZINC000409390816	533479241	/nfs/dbraw/zinc/47/92/41/533479241.db2.gz	LOMXAJJZOYCWMW-SNVBAGLBSA-N	-1	3	380.297	1.434	40	0		GDABHM
Cc1cc(C[N-]S(=O)(=O)c2ccc(F)cc2F)nc(N2CCOCC2)n1	ZINC000224232540	136206595	/nfs/dbraw/zinc/20/65/95/136206595.db2.gz	OVABFWBYLUJLPP-UHFFFAOYSA-N	-1	3	384.408	1.378	40	0		GDABHM
Cc1nc2c(c(=O)[n-]1)CC[C@@H]1CN(C(=O)C[C@@H]3NC(=O)c4ccccc43)C[C@H]21	ZINC000012120064	570613092	/nfs/dbraw/zinc/61/30/92/570613092.db2.gz	NBBFSXLZDBTAJZ-DQYPLSBCSA-N	-1	3	378.432	1.441	40	0		GDABHM
CC(C)Oc1cc(CCC(=O)N2CC[C@H](c3cc(=O)[n-]c(N(C)C)n3)C2)on1	ZINC000012367496	570647644	/nfs/dbraw/zinc/64/76/44/570647644.db2.gz	JWVVEOZCCQVFIK-ZDUSSCGKSA-N	-1	3	389.456	1.972	40	0		GDABHM
COCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000408528527	231051927	/nfs/dbraw/zinc/05/19/27/231051927.db2.gz	GLBQSJWLVCTBRP-UHFFFAOYSA-N	-1	3	382.413	1.768	40	0		GDABHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCO)c(Cl)c2)cc1	ZINC000408584127	231068068	/nfs/dbraw/zinc/06/80/68/231068068.db2.gz	LWECWCVJTYOOBC-UHFFFAOYSA-N	-1	3	398.868	1.937	40	0		GDABHM
O=C1Nc2ccccc2C(=O)N2CC[C@H]([N-]S(=O)(=O)c3cccs3)[C@@H]12	ZINC000008296578	530549197	/nfs/dbraw/zinc/54/91/97/530549197.db2.gz	YCSIFUPYSCCZMJ-JSGCOSHPSA-N	-1	3	377.447	1.262	40	0	biogenic,in-vitro	GDABHM
CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(Br)c1[O-]	ZINC000006155340	530540513	/nfs/dbraw/zinc/54/05/13/530540513.db2.gz	AAPFQKZWDXMKKC-BJMVGYQFSA-N	-1	3	399.197	1.619	40	0		GDABHM
C[C@@]1(CCC(=O)N2CCN(c3nsc4ccccc43)CC2)NC(=O)[N-]C1=O	ZINC000019460274	207123880	/nfs/dbraw/zinc/12/38/80/207123880.db2.gz	PODJWCFNWHRVAP-SFHVURJKSA-N	-1	3	387.465	1.323	40	0		GDABHM
CCN1CCN(c2nc([C@@H]3CC(=O)N(Cc4ccccc4)C3)cc(=O)[n-]2)CC1	ZINC000019528237	207129730	/nfs/dbraw/zinc/12/97/30/207129730.db2.gz	AHBCLHFDPKWQEA-QGZVFWFLSA-N	-1	3	381.480	1.840	40	0		GDABHM
Cc1cc(N2CCOCC2)nc(C[N-]S(=O)(=O)c2cccc(Cl)c2)n1	ZINC000224183724	136206484	/nfs/dbraw/zinc/20/64/84/136206484.db2.gz	PHZOGIXKSVXFRX-UHFFFAOYSA-N	-1	3	382.873	1.754	40	0		GDABHM
O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NCCCO	ZINC000409393986	534627200	/nfs/dbraw/zinc/62/72/00/534627200.db2.gz	ZWDMGDYSTIDKBA-UHFFFAOYSA-N	-1	3	382.413	1.504	40	0		GDABHM
CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1	ZINC000223278872	570455798	/nfs/dbraw/zinc/45/57/98/570455798.db2.gz	GQXQBYOADLTJFM-UHFFFAOYSA-N	-1	3	377.422	1.571	40	0		GDABHM
O=C(NC1CC(F)(F)C1)[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21	ZINC000575405894	570521879	/nfs/dbraw/zinc/52/18/79/570521879.db2.gz	USRXFJKDMATCDU-HNNXBMFYSA-N	-1	3	376.363	1.700	40	0		GDABHM
C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000010393830	570570104	/nfs/dbraw/zinc/57/01/04/570570104.db2.gz	HJQKHEHBBMAERL-GFCCVEGCSA-N	-1	3	396.490	1.953	40	0		GDABHM
COc1ccc(S(=O)(=O)N2CCC(Nc3nc(C)c(C)c(=O)[n-]3)CC2)cc1	ZINC000012113678	570609582	/nfs/dbraw/zinc/60/95/82/570609582.db2.gz	WIFHCLDYCQMSFZ-UHFFFAOYSA-N	-1	3	392.481	1.661	40	0		GDABHM
CSCC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](N)C(C)C)CC1)C(=O)[O-]	ZINC000100780344	570710915	/nfs/dbraw/zinc/71/09/15/570710915.db2.gz	MPMDCDAQKBJDMJ-XGUBFFRZSA-N	-1	3	387.546	1.215	40	0		GDABHM
Cc1nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]c(=O)c1CCO	ZINC000013611805	570762570	/nfs/dbraw/zinc/76/25/70/570762570.db2.gz	IFBDMYBPRSFIPB-UHFFFAOYSA-N	-1	3	382.386	1.959	40	0		GDABHM
CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1	ZINC000408600425	529895356	/nfs/dbraw/zinc/89/53/56/529895356.db2.gz	AZTUVTBBCYRBGG-GFCCVEGCSA-N	-1	3	392.433	1.772	40	0		GDABHM
CCOC(=O)N1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)CC1	ZINC000216488710	531027373	/nfs/dbraw/zinc/02/73/73/531027373.db2.gz	KCLSMSLTIOWCNY-UHFFFAOYSA-N	-1	3	389.861	1.626	40	0		GDABHM
CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1c[nH]c(=O)[n-]c1=O	ZINC000004849374	206561472	/nfs/dbraw/zinc/56/14/72/206561472.db2.gz	BGIBVECGPZCARW-UHFFFAOYSA-N	-1	3	386.433	1.913	40	0		GDABHM
CC(=O)Nc1ccc(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)cc1	ZINC000019022495	207101180	/nfs/dbraw/zinc/10/11/80/207101180.db2.gz	VEBKWMHVNBKMOQ-UHFFFAOYSA-N	-1	3	381.480	1.929	40	0		GDABHM
CCc1cc(=O)[n-]c([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)CC)CC2)n1	ZINC000019522525	207127443	/nfs/dbraw/zinc/12/74/43/207127443.db2.gz	ZANBKRJRDRDNMO-OAHLLOKOSA-N	-1	3	396.513	1.058	40	0		GDABHM
O=c1[n-]c(N2CCCC2)nc2c1CCN(Cc1ccnc(N3CCCC3)n1)C2	ZINC000019404059	207121825	/nfs/dbraw/zinc/12/18/25/207121825.db2.gz	UFPWKMQNDSFNBY-UHFFFAOYSA-N	-1	3	381.484	1.319	40	0		GDABHM
COC(=O)c1ccc(C(=O)N[C@@H](C)CNc2nc3c(c(=O)[n-]2)CCCC3)s1	ZINC000019574168	207137853	/nfs/dbraw/zinc/13/78/53/207137853.db2.gz	JHFZIEPRBLIVHR-JTQLQIEISA-N	-1	3	390.465	1.727	40	0		GDABHM
COc1ncccc1-c1cc(=O)[n-]c([C@H]2CCN(C(=O)c3ccncc3)C2)n1	ZINC000019594700	207143409	/nfs/dbraw/zinc/14/34/09/207143409.db2.gz	YJXLTHDNAAFZAL-AWEZNQCLSA-N	-1	3	377.404	1.865	40	0		GDABHM
CCc1c(COC)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[n-]c1=O	ZINC000022448381	207253059	/nfs/dbraw/zinc/25/30/59/207253059.db2.gz	CGQVCTYGCMHUEL-UHFFFAOYSA-N	-1	3	386.452	1.530	40	0		GDABHM
CC(=O)[N-]C1=NN(c2ccccc2)C(=O)C1(Br)Br	ZINC000016321015	221360549	/nfs/dbraw/zinc/36/05/49/221360549.db2.gz	OLAAGPZUJGZERG-UHFFFAOYSA-N	-1	3	375.020	1.969	40	0		GDABHM
O=C(CNC(=O)c1ccccc1)N1CCC[C@@]2(Cc3c([nH]c(=O)[n-]c3=O)O2)CC1	ZINC000257283976	209069166	/nfs/dbraw/zinc/06/91/66/209069166.db2.gz	PATFZWGCWMFRGH-FQEVSTJZSA-N	-1	3	398.419	1.004	40	0		GDABHM
Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(N4CCOCC4)[n-]c(=O)c32)c1	ZINC000038828162	570583528	/nfs/dbraw/zinc/58/35/28/570583528.db2.gz	WTRLRZCPJLSREV-AWEZNQCLSA-N	-1	3	397.435	1.288	40	0		GDABHM
COC(=O)c1cc(NC(=O)C2([N-]S(C)(=O)=O)CCCCC2)cnc1OC	ZINC000225958501	570636803	/nfs/dbraw/zinc/63/68/03/570636803.db2.gz	SYNARWIPPSSBDE-UHFFFAOYSA-N	-1	3	385.442	1.067	40	0		GDABHM
O=C([O-])[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccncc1	ZINC000071980655	570857858	/nfs/dbraw/zinc/85/78/58/570857858.db2.gz	YHABUHZFAGRKCB-GOSISDBHSA-N	-1	3	381.432	2.000	40	0		GDABHM
O=C(Cc1ccc(CO)cc1)N1CCC[C@]2(Cc3c([nH]c(=O)[n-]c3=O)O2)CC1	ZINC000257238490	222761912	/nfs/dbraw/zinc/76/19/12/222761912.db2.gz	HLEZOWOIGALQNV-HXUWFJFHSA-N	-1	3	385.420	1.309	40	0		GDABHM
CC(=O)OCc1ccc(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)o1	ZINC000019023039	207100586	/nfs/dbraw/zinc/10/05/86/207100586.db2.gz	DGMCNTOVSLPEOC-UHFFFAOYSA-N	-1	3	386.452	1.627	40	0		GDABHM
O=C(CCn1cncn1)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1	ZINC000019344307	207117273	/nfs/dbraw/zinc/11/72/73/207117273.db2.gz	ZWKNVXYTSMPJKX-CYBMUJFWSA-N	-1	3	384.465	1.886	40	0		GDABHM
CCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3cccnc3)[n-]c2=O)C1	ZINC000019499137	207124448	/nfs/dbraw/zinc/12/44/48/207124448.db2.gz	SINCYDKDNUZFSX-KRWDZBQOSA-N	-1	3	395.463	1.827	40	0		GDABHM
COc1ccc(CN2CCc3nc(-c4ccncc4)[n-]c(=O)c3C2)cc1CO	ZINC000019559339	207134740	/nfs/dbraw/zinc/13/47/40/207134740.db2.gz	FQCAYYJVHAHHPJ-UHFFFAOYSA-N	-1	3	378.432	1.891	40	0		GDABHM
C[C@@H](c1cc(=O)[n-]c(NC[C@H]2CCCOC2)n1)n1ncc2ccccc2c1=O	ZINC000019717476	207153341	/nfs/dbraw/zinc/15/33/41/207153341.db2.gz	LJCYKUZPRVBGSV-UONOGXRCSA-N	-1	3	381.436	1.928	40	0		GDABHM
Cc1nc([C@@H]([C@@H]2CCCCN2)n2cc(C(=O)[O-])ccc2=O)sc1CCO	ZINC000257297974	209070602	/nfs/dbraw/zinc/07/06/02/209070602.db2.gz	RJOILXISOMWTNP-XJKSGUPXSA-N	-1	3	377.466	1.578	40	0		GDABHM
NC(=O)[C@@H]1CCCN1CC[C@H]1CN(C(=O)C2CCCC2)CC[C@H]1CC(=O)[O-]	ZINC000020463010	560092987	/nfs/dbraw/zinc/09/29/87/560092987.db2.gz	NEJWDXBITVUIPL-ULQDDVLXSA-N	-1	3	379.501	1.456	40	0	biogenic,in-vitro	GDABHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCO)cc2)cc1	ZINC000006213933	570472226	/nfs/dbraw/zinc/47/22/26/570472226.db2.gz	NDIYAKANIAIUOQ-UHFFFAOYSA-N	-1	3	378.450	1.673	40	0		GDABHM
COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)cc1	ZINC000038828305	570583651	/nfs/dbraw/zinc/58/36/51/570583651.db2.gz	NAKRPCRPQHZBDM-CYBMUJFWSA-N	-1	3	383.408	1.443	40	0		GDABHM
CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@H](N)[C@@H](C)CC)CC1)C(=O)[O-]	ZINC000100768415	570710546	/nfs/dbraw/zinc/71/05/46/570710546.db2.gz	RGPVJNHIMSQFEG-NEXGVSGLSA-N	-1	3	383.533	1.898	40	0		GDABHM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCCCC2)s1	ZINC000225783902	531031377	/nfs/dbraw/zinc/03/13/77/531031377.db2.gz	GTNQEXRASWNCSE-UHFFFAOYSA-N	-1	3	375.520	1.287	40	0		GDABHM
Cc1cccc(N2C[C@H](c3cc(=O)[n-]c(N(C)CCN(C)C)n3)CC2=O)c1C	ZINC000019235548	207109820	/nfs/dbraw/zinc/10/98/20/207109820.db2.gz	RWZKTXNGPAILOF-MRXNPFEDSA-N	-1	3	383.496	1.905	40	0		GDABHM
Cc1ccc(=O)n(CC(=O)N2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[n-]2)n1	ZINC000019131021	207103895	/nfs/dbraw/zinc/10/38/95/207103895.db2.gz	APDJGZQGQGLZFK-MRXNPFEDSA-N	-1	3	392.419	1.473	40	0		GDABHM
Cn1nc(C(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[n-]3)CC2)ccc1=O	ZINC000019288492	207113759	/nfs/dbraw/zinc/11/37/59/207113759.db2.gz	UMVIWVUQRRHQDE-UHFFFAOYSA-N	-1	3	397.460	1.612	40	0		GDABHM
O=C(C1CCC1)N1CCc2c(=O)[n-]c([C@@H]3CCN(Cc4cccnc4)C3)nc2C1	ZINC000019338877	207115913	/nfs/dbraw/zinc/11/59/13/207115913.db2.gz	SUBZFIPKRAEWJN-QGZVFWFLSA-N	-1	3	393.491	1.839	40	0		GDABHM
CCn1nc2c(c1C(=O)N[C@H](C)c1cc(=O)[n-]c(N3CCCC3)n1)CCCC2	ZINC000019524100	207128891	/nfs/dbraw/zinc/12/88/91/207128891.db2.gz	PFAXTSKOLWAJSN-CYBMUJFWSA-N	-1	3	384.484	1.956	40	0		GDABHM
COc1cccc(NC(=O)CN2CCC(Nc3nc4c(c(=O)[n-]3)CCC4)CC2)c1	ZINC000019565873	207135605	/nfs/dbraw/zinc/13/56/05/207135605.db2.gz	FKMJMNAFHBOESC-UHFFFAOYSA-N	-1	3	397.479	1.782	40	0		GDABHM
COc1cccc2c1OC[C@@H](C(=O)NCc1cc(=O)[n-]c(-c3ccncc3)n1)C2	ZINC000019568331	207137219	/nfs/dbraw/zinc/13/72/19/207137219.db2.gz	VPOWBIMUEOVQIW-HNNXBMFYSA-N	-1	3	392.415	1.708	40	0		GDABHM
COc1ncccc1-c1cc(=O)[n-]c([C@@H]2CCCN2C(=O)c2cnccn2)n1	ZINC000019594673	207144543	/nfs/dbraw/zinc/14/45/43/207144543.db2.gz	DGDHVCPCUQLRFN-HNNXBMFYSA-N	-1	3	378.392	1.608	40	0		GDABHM
O=C(C1CCC1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccnc2)CC3)C1	ZINC000072399142	208015218	/nfs/dbraw/zinc/01/52/18/208015218.db2.gz	KYSIECJGBDIUOD-KRWDZBQOSA-N	-1	3	393.491	1.839	40	0		GDABHM
COc1ccc([O-])c(C(=O)N2CC[C@@]3(C2)COCc2cnc(N(C)C)nc23)c1	ZINC000248143143	209028841	/nfs/dbraw/zinc/02/88/41/209028841.db2.gz	USKIDXVFMAETAZ-HXUWFJFHSA-N	-1	3	384.436	1.571	40	0		GDABHM
O=S1(=O)[N-][C@@H]2CN(Cc3cc(-c4ccccc4)no3)C[C@@H]2Oc2ncccc21	ZINC000514289362	560032739	/nfs/dbraw/zinc/03/27/39/560032739.db2.gz	IXEWNTDOTMGMIC-SJORKVTESA-N	-1	3	398.444	1.660	40	0	biogenic,in-vitro	GDABHM
Cn1nccc1C(=O)NCC[C@H]1CCOC12CN(C(=O)c1cccc([O-])c1)C2	ZINC000575404081	570520593	/nfs/dbraw/zinc/52/05/93/570520593.db2.gz	PSZPALGYJIGKNY-HNNXBMFYSA-N	-1	3	384.436	1.177	40	0		GDABHM
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCCC2)s1	ZINC000223822349	531028807	/nfs/dbraw/zinc/02/88/07/531028807.db2.gz	MVCXYWJEYJKMJI-UHFFFAOYSA-N	-1	3	375.520	1.287	40	0		GDABHM
CC[C@@H]1CCCCN1CCC[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000224038988	531029076	/nfs/dbraw/zinc/02/90/76/531029076.db2.gz	JFLFORCEJQXRAD-GFCCVEGCSA-N	-1	3	375.520	1.429	40	0		GDABHM
Cc1ccc(=O)n(CC(=O)N[C@@H](C)c2cc(=O)[n-]c(N3CCC(C)CC3)n2)n1	ZINC000019131066	207104234	/nfs/dbraw/zinc/10/42/34/207104234.db2.gz	ZMHDPTIMSQBQMT-AWEZNQCLSA-N	-1	3	386.456	1.161	40	0		GDABHM
CCCC(=O)N1CCc2nc(C3CCN(C(=O)CCOC)CC3)[n-]c(=O)c2C1	ZINC000019501615	207126182	/nfs/dbraw/zinc/12/61/82/207126182.db2.gz	LEOKMQTVSBDTJR-UHFFFAOYSA-N	-1	3	390.484	1.197	40	0		GDABHM
Cc1cc(C(=O)NCCCn2ccnc2C(C)C)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000019716351	207153947	/nfs/dbraw/zinc/15/39/47/207153947.db2.gz	AYNLEIFHCIBDQB-UHFFFAOYSA-N	-1	3	384.440	1.070	40	0		GDABHM
CNC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC	ZINC000020009297	207173476	/nfs/dbraw/zinc/17/34/76/207173476.db2.gz	BREBFSDUVRNHGI-CQSZACIVSA-N	-1	3	382.869	1.984	40	0		GDABHM
CC[C@H](CO)[N-]S(=O)(=O)c1cc(I)ccc1OC	ZINC000096305764	208304336	/nfs/dbraw/zinc/30/43/36/208304336.db2.gz	IVKSAJNDVPLRIY-SECBINFHSA-N	-1	3	385.223	1.349	40	0		GDABHM
Cc1cc(=O)[n-]c(NC2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)n1	ZINC000072341843	222232123	/nfs/dbraw/zinc/23/21/23/222232123.db2.gz	YLQGFGRUXXZDBZ-UHFFFAOYSA-N	-1	3	385.424	1.322	40	0		GDABHM
CCOC(=O)[C@@H](Cc1cc(C)c([O-])c(I)c1)NC(C)=O	ZINC000006655759	530541869	/nfs/dbraw/zinc/54/18/69/530541869.db2.gz	LFJYMGUZGIGCEC-GFCCVEGCSA-N	-1	3	391.205	1.916	40	0		GDABHM
CN1CCN(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)CC1	ZINC000033733975	530612584	/nfs/dbraw/zinc/61/25/84/530612584.db2.gz	UVQQPIMDLFWWOK-LUAWRHEFSA-N	-1	3	382.848	1.358	40	0		GDABHM
CN1CCN(CCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)CC1	ZINC000216385783	531027364	/nfs/dbraw/zinc/02/73/64/531027364.db2.gz	CTDRGZZLGSSOEF-UHFFFAOYSA-N	-1	3	388.921	1.079	40	0		GDABHM
CC(=O)N1CCc2c(=O)[n-]c([C@H]3CCN(C(=O)Cc4cccc(C)c4)C3)nc2C1	ZINC000019234619	207109547	/nfs/dbraw/zinc/10/95/47/207109547.db2.gz	LSZKCFJIGXPIFS-KRWDZBQOSA-N	-1	3	394.475	1.542	40	0		GDABHM
Cc1ccn(CCC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)n1	ZINC000019238070	207111146	/nfs/dbraw/zinc/11/11/46/207111146.db2.gz	RMLSUFWYOLVRBC-HNNXBMFYSA-N	-1	3	384.484	1.059	40	0		GDABHM
C[C@@H](NC(=O)C1(c2ccccc2F)CC1)c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000019458362	207122954	/nfs/dbraw/zinc/12/29/54/207122954.db2.gz	NQMYZKRYTRMINT-CQSZACIVSA-N	-1	3	399.470	1.570	40	0		GDABHM
COc1cc(C)c(S(=O)(=O)N2CCC3(CC2)NC(=O)[N-]C3=O)cc1C(C)C	ZINC000019567422	207135649	/nfs/dbraw/zinc/13/56/49/207135649.db2.gz	SJNKDBODHWUMEZ-UHFFFAOYSA-N	-1	3	395.481	1.490	40	0		GDABHM
Cc1nc2c(nnn2C[C@H]2CCCN2S(=O)(=O)Cc2ccccc2)c(=O)[n-]1	ZINC000072389661	208012475	/nfs/dbraw/zinc/01/24/75/208012475.db2.gz	VBFMZKPMYBHJBG-CQSZACIVSA-N	-1	3	388.453	1.230	40	0		GDABHM
O=C(NCC[C@H]1CCOC12CN(C(=O)c1cccc([O-])c1)C2)c1cccnc1	ZINC000575403052	570519523	/nfs/dbraw/zinc/51/95/23/570519523.db2.gz	IAUNQNJUVOEXLX-KRWDZBQOSA-N	-1	3	381.432	1.838	40	0		GDABHM
CC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)cc1	ZINC000038828327	570583498	/nfs/dbraw/zinc/58/34/98/570583498.db2.gz	MWPKOPGXICGVDM-CQSZACIVSA-N	-1	3	395.419	1.637	40	0		GDABHM
Cc1ncsc1C(=O)N1C[C@@H]2c3nc(N4CCCC4)[n-]c(=O)c3CC[C@@H]2C1	ZINC000012120111	570613003	/nfs/dbraw/zinc/61/30/03/570613003.db2.gz	LYGILNOCJRNJGU-OCCSQVGLSA-N	-1	3	385.493	1.937	40	0		GDABHM
CCOC(=O)c1sc(NC(=O)C[C@@H](NCc2ccco2)C(=O)[O-])nc1C	ZINC000065090347	570757769	/nfs/dbraw/zinc/75/77/69/570757769.db2.gz	OFOPQXRHMHQXTE-LLVKDONJSA-N	-1	3	381.410	1.793	40	0		GDABHM
C[C@@H]1c2nc(CC(=O)N3CCOCC3)cn2CCN1C(=O)c1cccc([O-])c1	ZINC000585096779	570923363	/nfs/dbraw/zinc/92/33/63/570923363.db2.gz	ADQPVVUWRHLUTM-CQSZACIVSA-N	-1	3	384.436	1.207	40	0		GDABHM
CN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cccc(Br)c1	ZINC000071980033	530805117	/nfs/dbraw/zinc/80/51/17/530805117.db2.gz	MCDUZUMCXFJCBI-ZDUSSCGKSA-N	-1	3	383.242	1.797	40	0		GDABHM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCCCCC2)s1	ZINC000224233455	531029158	/nfs/dbraw/zinc/02/91/58/531029158.db2.gz	UWYZKKYBOGGAME-UHFFFAOYSA-N	-1	3	375.520	1.431	40	0		GDABHM
CCCn1nnc(NC(=S)[N-]C(=O)COc2ccc(Br)cc2)n1	ZINC000001861523	206392689	/nfs/dbraw/zinc/39/26/89/206392689.db2.gz	DOGUVUIQDJHKEL-UHFFFAOYSA-N	-1	3	399.274	1.738	40	0		GDABHM
CC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCN(C(=O)Cc4ccccc4F)C3)nc2C1	ZINC000019019114	207100534	/nfs/dbraw/zinc/10/05/34/207100534.db2.gz	RQBQBKSBAKBWLB-OAHLLOKOSA-N	-1	3	398.438	1.785	40	0		GDABHM
COc1ccc(C)cc1S(=O)(=O)NCc1cc(=O)[n-]c(N2CCCC2)n1	ZINC000019134481	207104816	/nfs/dbraw/zinc/10/48/16/207104816.db2.gz	YITLXUCBQQVXHN-UHFFFAOYSA-N	-1	3	378.454	1.578	40	0		GDABHM
Cc1nc2c(c(=O)[n-]1)C[C@@H]1CC[C@H](C2)N1C(=O)CCn1c2ccccc2oc1=O	ZINC000019286319	207113769	/nfs/dbraw/zinc/11/37/69/207113769.db2.gz	KZKIXPZYQYCWGB-UONOGXRCSA-N	-1	3	394.431	1.535	40	0		GDABHM
O=C1C[C@H](c2cc(=O)[n-]c(NCCc3cnccn3)n2)CN1c1ccc(F)cc1	ZINC000019335297	207116388	/nfs/dbraw/zinc/11/63/88/207116388.db2.gz	KCVKVCTVUSVZSW-ZDUSSCGKSA-N	-1	3	394.410	1.874	40	0		GDABHM
CCc1c(C)nc([C@H]2CCCN2C(=O)CN2Cc3ccccc3C2=O)[n-]c1=O	ZINC000019521577	207127306	/nfs/dbraw/zinc/12/73/06/207127306.db2.gz	QXOAMFNMXIWOBA-QGZVFWFLSA-N	-1	3	380.448	1.960	40	0		GDABHM
CCc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCOCC4)[n-]c(=O)c32)cc1	ZINC000019960994	207172912	/nfs/dbraw/zinc/17/29/12/207172912.db2.gz	DHKJJNLYVQNUME-CQSZACIVSA-N	-1	3	397.435	1.233	40	0		GDABHM
Cc1nc2c(c([N-]c3nccs3)n1)CN(S(=O)(=O)c1cn(C)cn1)CC2	ZINC000072380811	208012579	/nfs/dbraw/zinc/01/25/79/208012579.db2.gz	KIYPWLRJTZVHPK-UHFFFAOYSA-N	-1	3	391.482	1.466	40	0		GDABHM
COCC(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[n-]2)CN(C(C)C)CC4)C1	ZINC000072398806	208013636	/nfs/dbraw/zinc/01/36/36/208013636.db2.gz	ZWKPGSIWCKXEBL-CQSZACIVSA-N	-1	3	387.484	1.554	40	0		GDABHM
C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC[C@@H]1CCCO1	ZINC000409393969	533480498	/nfs/dbraw/zinc/48/04/98/533480498.db2.gz	ZOTSCDRAIKWBRL-KOLCDFICSA-N	-1	3	381.281	1.955	40	0		GDABHM
O=C(Cc1ccccc1Cl)N1CCc2c(=O)[n-]c(N3CCOCC3)nc2C1	ZINC000072346905	136168701	/nfs/dbraw/zinc/16/87/01/136168701.db2.gz	MSSRWQPVFBWRSQ-UHFFFAOYSA-N	-1	3	388.855	1.387	40	0		GDABHM
O=c1[n-]c(N2CCOCC2)nc2c1CN(Cc1cccc3cccnc31)CC2	ZINC000072347460	136168946	/nfs/dbraw/zinc/16/89/46/136168946.db2.gz	IMWLJLSYUPBUNS-UHFFFAOYSA-N	-1	3	377.448	1.713	40	0		GDABHM
O=C(CN1CCc2nc(N3CCCC3)[n-]c(=O)c2C1)Nc1ccc2c(c1)CCC2	ZINC000012144577	570615873	/nfs/dbraw/zinc/61/58/73/570615873.db2.gz	VRNNVQBOVUCIRR-UHFFFAOYSA-N	-1	3	393.491	1.856	40	0		GDABHM
O=C(C[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21)NCc1ccccn1	ZINC000585095696	570922324	/nfs/dbraw/zinc/92/23/24/570922324.db2.gz	CMSBPINYMDKFMF-GOSISDBHSA-N	-1	3	391.431	1.887	40	0		GDABHM
O=C(Cn1cccnc1=O)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[n-]1	ZINC000019403625	210248157	/nfs/dbraw/zinc/24/81/57/210248157.db2.gz	RPJPOVUZSRIHSI-OAHLLOKOSA-N	-1	3	397.460	1.809	40	0		GDABHM
COc1cccc(CN2CCC[C@H](Cn3nnc4c3nc(C)[n-]c4=O)C2)c1OC	ZINC000019286485	210236233	/nfs/dbraw/zinc/23/62/33/210236233.db2.gz	KSVCIRSVSFUAQT-AWEZNQCLSA-N	-1	3	398.467	1.752	40	0		GDABHM
Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)CC1)O2	ZINC000019218170	210231219	/nfs/dbraw/zinc/23/12/19/210231219.db2.gz	QKFSKXLNFCTEFV-CQSZACIVSA-N	-1	3	385.420	1.310	40	0		GDABHM
COc1ccc(C)cc1C[N@H+]1CCc2nc(N3CCOCC3)[n-]c(=O)c2CC1	ZINC000019133568	210227454	/nfs/dbraw/zinc/22/74/54/210227454.db2.gz	GIFADJZQCDKSKD-UHFFFAOYSA-N	-1	3	384.480	1.937	40	0		GDABHM
COc1ccc(C)cc1CN1CCc2nc(N3CCOCC3)[n-]c(=O)c2CC1	ZINC000019133568	210227458	/nfs/dbraw/zinc/22/74/58/210227458.db2.gz	GIFADJZQCDKSKD-UHFFFAOYSA-N	-1	3	384.480	1.937	40	0		GDABHM
COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC2(CC1)NC(=O)[N-]C2=O	ZINC000019084438	210225490	/nfs/dbraw/zinc/22/54/90/210225490.db2.gz	ADKIBBBBSRSNNQ-UHFFFAOYSA-N	-1	3	395.481	1.355	40	0		GDABHM
Cc1c([C@@H](C)NC(=O)c2cc(C(C)C)nc3c2c(=O)[n-]c(=O)n3C)cnn1C	ZINC000019714536	210286973	/nfs/dbraw/zinc/28/69/73/210286973.db2.gz	KLJSMAGUPHPLQN-SNVBAGLBSA-N	-1	3	384.440	1.278	40	0		GDABHM
COc1ccc2nc(NC(=O)CN3CCc4nc(C)[n-]c(=O)c4C3)sc2c1	ZINC000019576532	210268615	/nfs/dbraw/zinc/26/86/15/210268615.db2.gz	HIMRTWBACQJOEF-UHFFFAOYSA-N	-1	3	385.449	1.693	40	0		GDABHM
C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC[C@H]1CCCO1	ZINC000409393968	533965354	/nfs/dbraw/zinc/96/53/54/533965354.db2.gz	ZOTSCDRAIKWBRL-GXSJLCMTSA-N	-1	3	381.281	1.955	40	0		GDABHM
Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(N4CCOCC4)[n-]c(=O)c32)c1	ZINC000038828161	570583590	/nfs/dbraw/zinc/58/35/90/570583590.db2.gz	WTRLRZCPJLSREV-CQSZACIVSA-N	-1	3	397.435	1.288	40	0		GDABHM
COCCOc1ccc(NC(=O)C2([N-]S(=O)(=O)c3cccs3)CC2)cn1	ZINC000225930410	570634236	/nfs/dbraw/zinc/63/42/36/570634236.db2.gz	LNESFDIVKOTWFF-UHFFFAOYSA-N	-1	3	397.478	1.618	40	0		GDABHM
CC[C@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](N)CC(C)C)CC1)C(=O)[O-]	ZINC000100778448	570710924	/nfs/dbraw/zinc/71/09/24/570710924.db2.gz	YWFQLWIVTMRHDH-KSWRQPAISA-N	-1	3	383.533	1.898	40	0		GDABHM
Cc1cc(=O)n2nc(N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)[n-]c2n1	ZINC000253537712	570734274	/nfs/dbraw/zinc/73/42/74/570734274.db2.gz	OACSXUUORSQXFK-UHFFFAOYSA-N	-1	3	391.435	1.511	40	0		GDABHM
C[C@@H](OC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)C(=O)N[C@@H]1CCCC[C@@H]1C	ZINC000004278294	570969439	/nfs/dbraw/zinc/96/94/39/570969439.db2.gz	CARCXFQVBQZZNB-WOSRLPQWSA-N	-1	3	387.436	1.729	40	0		GDABHM
COc1nn(Cc2cc(=O)[n-]c(N3C[C@@H](C)O[C@@H](C)C3)n2)c(=O)c2ccccc21	ZINC000019717528	571039973	/nfs/dbraw/zinc/03/99/73/571039973.db2.gz	MZFFJMUMWGPQFC-BETUJISGSA-N	-1	3	397.435	1.150	40	0		GDABHM
COc1ncc(CN2CCC[C@@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)cn1	ZINC000019572108	210267622	/nfs/dbraw/zinc/26/76/22/210267622.db2.gz	BXOULIASIQNIAU-MRXNPFEDSA-N	-1	3	384.484	1.938	40	0		GDABHM
Cc1csc2c(C3CCN(C(=O)CC[C@H]4NC(=O)[N-]C4=O)CC3)nc(C)n12	ZINC000019240539	210236385	/nfs/dbraw/zinc/23/63/85/210236385.db2.gz	SNDDHOAMKKGTDF-CYBMUJFWSA-N	-1	3	389.481	1.707	40	0		GDABHM
COC(=O)C(Cc1nc2ccccc2[nH]c1=O)=C([O-])C(=O)Nc1ccc(F)cc1	ZINC000017214742	210208009	/nfs/dbraw/zinc/20/80/09/210208009.db2.gz	FDGBLPYHPVKNQR-CYBMUJFWSA-N	-1	3	397.362	1.602	40	0		GDABHM
CN1[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])C[C@@H](c2ccco2)NS1(=O)=O	ZINC000013494640	530558854	/nfs/dbraw/zinc/55/88/54/530558854.db2.gz	FDTUNWVNQZGCBX-NWDGAFQWSA-N	-1	3	385.829	1.857	40	0		GDABHM
COc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CC[C@H]2NC(=O)[N-]C2=O)cc1	ZINC000012145690	209913384	/nfs/dbraw/zinc/91/33/84/209913384.db2.gz	NGGPBLAMQVDYSX-HZPDHXFCSA-N	-1	3	397.435	1.363	40	0		GDABHM
COc1nn(Cc2cc(=O)[n-]c(NC[C@H]3CCCOC3)n2)c(=O)c2ccccc21	ZINC000019717479	571040357	/nfs/dbraw/zinc/04/03/57/571040357.db2.gz	CRJJRFHRJHREGH-CYBMUJFWSA-N	-1	3	397.435	1.375	40	0		GDABHM
Cc1cc(=O)n(CC(=O)N2CCc3nc(C)[n-]c(=O)c3CC2)c2ccccc12	ZINC000019566468	210266716	/nfs/dbraw/zinc/26/67/16/210266716.db2.gz	OGRGUSTVBMAYME-UHFFFAOYSA-N	-1	3	378.432	1.329	40	0		GDABHM
C[C@@H](NC(=O)[C@@H]1CSC(c2ccncc2)=N1)c1cc(=O)[n-]c(N2CCCC2)n1	ZINC000019458308	210251225	/nfs/dbraw/zinc/25/12/25/210251225.db2.gz	NGXOMHISWUXLAV-DOMZBBRYSA-N	-1	3	398.492	1.505	40	0		GDABHM
C[C@H](NC(=O)[C@@H]1CSC(c2ccncc2)=N1)c1cc(=O)[n-]c(N2CCCC2)n1	ZINC000019458310	210250767	/nfs/dbraw/zinc/25/07/67/210250767.db2.gz	NGXOMHISWUXLAV-WFASDCNBSA-N	-1	3	398.492	1.505	40	0		GDABHM
O=C(CCn1cncn1)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1	ZINC000019344311	210242693	/nfs/dbraw/zinc/24/26/93/210242693.db2.gz	ZWKNVXYTSMPJKX-ZDUSSCGKSA-N	-1	3	384.465	1.886	40	0		GDABHM
Cn1nc(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[n-]3)C2)ccc1=O	ZINC000019288495	210238355	/nfs/dbraw/zinc/23/83/55/210238355.db2.gz	QVBKAHDKKPEICZ-GFCCVEGCSA-N	-1	3	397.460	1.612	40	0		GDABHM
COc1ccc(CN2CCC[C@@H](Cn3nnc4c3nc(C)[n-]c4=O)C2)cc1OC	ZINC000019286468	210235266	/nfs/dbraw/zinc/23/52/66/210235266.db2.gz	SUQKLHZLYAXCIU-OAHLLOKOSA-N	-1	3	398.467	1.752	40	0		GDABHM
CC[C@H]1CCCCN1CCC[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000224039051	531028925	/nfs/dbraw/zinc/02/89/25/531028925.db2.gz	JFLFORCEJQXRAD-LBPRGKRZSA-N	-1	3	375.520	1.429	40	0		GDABHM
COCc1cc(=O)n2nc(N3CCN(C(=O)CCc4ccccc4)CC3)[n-]c2n1	ZINC000253534477	209221362	/nfs/dbraw/zinc/22/13/62/209221362.db2.gz	JIOYMLKGTJPSDO-UHFFFAOYSA-N	-1	3	396.451	1.258	40	0		GDABHM
COc1cc(CC(=O)N2CC[C@@H](c3cc(=O)[n-]c(C)n3)C2)cc(OC)c1OC	ZINC000072389820	211108735	/nfs/dbraw/zinc/10/87/35/211108735.db2.gz	GBHLGXHFYZABKJ-CQSZACIVSA-N	-1	3	387.436	1.663	40	0		GDABHM
COc1cc(C(=O)N2[C@@H](C(=O)[O-])COC23CCN(C)CC3)cc(OC)c1OC	ZINC000071980000	211068342	/nfs/dbraw/zinc/06/83/42/211068342.db2.gz	WRMXULWRWHVUHX-CYBMUJFWSA-N	-1	3	394.424	1.060	40	0		GDABHM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(N4CCOCC4)cc3)cc2o1	ZINC000012508263	136200506	/nfs/dbraw/zinc/20/05/06/136200506.db2.gz	OLXCUGJGXGPVHK-UHFFFAOYSA-N	-1	3	375.406	1.759	40	0		GDABHM
COc1cc(-c2nnc(SCC(=O)N3CCCC3)n2C)cc(OC)c1[O-]	ZINC000000919856	570535228	/nfs/dbraw/zinc/53/52/28/570535228.db2.gz	RZVBKCZMOWGIRY-UHFFFAOYSA-N	-1	3	378.454	1.919	40	0		GDABHM
O=C(NCc1cccnc1)[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2cncn21	ZINC000585096174	570922694	/nfs/dbraw/zinc/92/26/94/570922694.db2.gz	WRTJUHGEPWIHLJ-SFHVURJKSA-N	-1	3	377.404	1.497	40	0		GDABHM
CCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(S(=O)(=O)CC)C2	ZINC000019501412	210254137	/nfs/dbraw/zinc/25/41/37/210254137.db2.gz	FDMLYBWFGCWBDM-OAHLLOKOSA-N	-1	3	396.513	1.331	40	0		GDABHM
CCC(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccccc2F)C3)C1	ZINC000019498504	210251961	/nfs/dbraw/zinc/25/19/61/210251961.db2.gz	NUIOGIIMGAMKBG-CYBMUJFWSA-N	-1	3	398.438	1.833	40	0		GDABHM
C[C@H](NC(=O)Cc1ccc2c(c1)OCO2)c1cc(=O)[n-]c(-c2cccnc2)n1	ZINC000019458445	210249904	/nfs/dbraw/zinc/24/99/04/210249904.db2.gz	ALMHAFARYQSRLV-LBPRGKRZSA-N	-1	3	378.388	1.981	40	0		GDABHM
Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)NCCCO	ZINC000408676949	231093314	/nfs/dbraw/zinc/09/33/14/231093314.db2.gz	PANNBIFRHPEUSJ-UHFFFAOYSA-N	-1	3	396.440	1.812	40	0		GDABHM
O=C(Cn1cncn1)N[C@@H](Cc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(F)cc1	ZINC000019332465	210241811	/nfs/dbraw/zinc/24/18/11/210241811.db2.gz	OTKBIBNALYEQRU-KRWDZBQOSA-N	-1	3	396.426	1.868	40	0		GDABHM
CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1	ZINC000408598417	529895266	/nfs/dbraw/zinc/89/52/66/529895266.db2.gz	ZYBUJFMDXUUDJY-GFCCVEGCSA-N	-1	3	391.449	1.959	40	0		GDABHM
CCCn1nnnc1NC(=S)[N-]C(=O)COc1ccc(Br)cc1	ZINC000006462582	530541151	/nfs/dbraw/zinc/54/11/51/530541151.db2.gz	MVJBZQCOKHLCLD-UHFFFAOYSA-N	-1	3	399.274	1.738	40	0		GDABHM
O=C1[N-][C@]2(O)Oc3c(Br)cc(Br)cc3C=C2C(=O)N1	ZINC000003173596	212063753	/nfs/dbraw/zinc/06/37/53/212063753.db2.gz	NLXQPXWTQIGNQE-LLVKDONJSA-N	-1	3	389.987	1.473	40	0		GDABHM
CCN(Cc1cc(C)c(O)c(C(=O)[O-])c1)C[C@]1(C)Cc2c(nc(N)nc2N)O1	ZINC000257290374	212017489	/nfs/dbraw/zinc/01/74/89/212017489.db2.gz	QCSLMXCZEYFHKK-IBGZPJMESA-N	-1	3	387.440	1.569	40	0		GDABHM
C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC[C@@H]1CCCO1	ZINC000409393971	533964785	/nfs/dbraw/zinc/96/47/85/533964785.db2.gz	ZOTSCDRAIKWBRL-ONGXEEELSA-N	-1	3	381.281	1.955	40	0		GDABHM
C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCN(C)CC1	ZINC000409390811	533965197	/nfs/dbraw/zinc/96/51/97/533965197.db2.gz	LOMXAJJZOYCWMW-JTQLQIEISA-N	-1	3	380.297	1.434	40	0		GDABHM
COc1ccc(-c2ccc(SCC(=O)Nc3c(C)[nH]c(=O)[n-]c3=O)nn2)cc1	ZINC000035314305	570468782	/nfs/dbraw/zinc/46/87/82/570468782.db2.gz	AXJLLHAAKSFKHV-UHFFFAOYSA-N	-1	3	399.432	1.568	40	0		GDABHM
CC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccccc2CN2CCCC2)s1	ZINC000224804240	570531200	/nfs/dbraw/zinc/53/12/00/570531200.db2.gz	BXWHLERKEVBIHU-UHFFFAOYSA-N	-1	3	395.510	1.571	40	0		GDABHM
Cc1nc(NC2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)[n-]c(=O)c1C	ZINC000012113677	570609483	/nfs/dbraw/zinc/60/94/83/570609483.db2.gz	JGZWPNIRSJDTIQ-UHFFFAOYSA-N	-1	3	399.451	1.630	40	0		GDABHM
Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCc4c(=O)[n-]c(C)nc4C3)cc2n1	ZINC000012143183	570615064	/nfs/dbraw/zinc/61/50/64/570615064.db2.gz	BESHDJKUMAKAFP-UHFFFAOYSA-N	-1	3	392.341	1.647	40	0		GDABHM
COc1cc(C)c(NC(=O)[C@](C)([N-]S(C)(=O)=O)c2ccc(F)cc2)cn1	ZINC000225958921	570636797	/nfs/dbraw/zinc/63/67/97/570636797.db2.gz	MBXCZVFLKMZXEK-QGZVFWFLSA-N	-1	3	381.429	1.941	40	0		GDABHM
C[C@@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1	ZINC000100773588	570710526	/nfs/dbraw/zinc/71/05/26/570710526.db2.gz	CWXMCIPULJJRJO-SIXLDLHFSA-N	-1	3	375.469	1.068	40	0		GDABHM
COCCC(=O)N1CCC(c2nc([C@@H]3CCCN(C(C)=O)C3)cc(=O)[n-]2)CC1	ZINC000019016994	210221697	/nfs/dbraw/zinc/22/16/97/210221697.db2.gz	QYYIZXHELCLFNN-MRXNPFEDSA-N	-1	3	390.484	1.651	40	0		GDABHM
COc1ccc(OC)c([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)c1	ZINC000224918171	531029880	/nfs/dbraw/zinc/02/98/80/531029880.db2.gz	XJXDHIHQYTWIRQ-MRVPVSSYSA-N	-1	3	386.455	1.553	40	0		GDABHM
O=S(=O)([N-]c1ccc(N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1)c1ccccc1	ZINC000575423764	532013621	/nfs/dbraw/zinc/01/36/21/532013621.db2.gz	QDCULGOROZGQKP-HZPDHXFCSA-N	-1	3	382.463	1.057	40	0		GDABHM
O=C([O-])CN1CCC(NS(=O)(=O)c2ccc(Br)c(F)c2)CC1	ZINC000275205737	532276838	/nfs/dbraw/zinc/27/68/38/532276838.db2.gz	HDIKZXTYBGJPAH-UHFFFAOYSA-N	-1	3	395.250	1.416	40	0		GDABHM
CN(C)c1nc([C@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)cc(=O)[n-]1	ZINC000072395237	211111228	/nfs/dbraw/zinc/11/12/28/211111228.db2.gz	PISUZFRSUOGGPQ-ZDUSSCGKSA-N	-1	3	383.452	1.033	40	0		GDABHM
C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC[C@H]1CCCO1	ZINC000409393970	533478792	/nfs/dbraw/zinc/47/87/92/533478792.db2.gz	ZOTSCDRAIKWBRL-MWLCHTKSSA-N	-1	3	381.281	1.955	40	0		GDABHM
CCOCCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC	ZINC000408623851	528685735	/nfs/dbraw/zinc/68/57/35/528685735.db2.gz	QCAAAVTZGGRFSC-NSHDSACASA-N	-1	3	378.878	1.558	40	0		GDABHM
O=C(NC[C@H]1CCC2(CN(C(=O)c3cccc([O-])c3)C2)OC1)c1cccnc1	ZINC000575406149	570522461	/nfs/dbraw/zinc/52/24/61/570522461.db2.gz	WTQKBHADWSYIIR-OAHLLOKOSA-N	-1	3	381.432	1.838	40	0		GDABHM
CCN1CCN(c2nc([C@@H](C)n3ncc4ccccc4c3=O)cc(=O)[n-]2)CC1	ZINC000019717522	571039927	/nfs/dbraw/zinc/03/99/27/571039927.db2.gz	LLVHBDYNSLQJGH-CQSZACIVSA-N	-1	3	380.452	1.643	40	0		GDABHM
C[C@H](NC(=O)Cc1cccc(Cl)c1)c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000019458374	210250746	/nfs/dbraw/zinc/25/07/46/210250746.db2.gz	BFDPPBHXQBSLOG-ZDUSSCGKSA-N	-1	3	389.887	1.595	40	0		GDABHM
C[C@H](NC(=O)[C@H]1CSC(c2ccncc2)=N1)c1cc(=O)[n-]c(N2CCCC2)n1	ZINC000019458314	210250114	/nfs/dbraw/zinc/25/01/14/210250114.db2.gz	NGXOMHISWUXLAV-SWLSCSKDSA-N	-1	3	398.492	1.505	40	0		GDABHM
Cc1ccnn1[C@H](C)C(=O)N1CC[C@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1	ZINC000019238240	210235834	/nfs/dbraw/zinc/23/58/34/210235834.db2.gz	NGIBBKIURZGARG-ZBFHGGJFSA-N	-1	3	378.436	1.914	40	0		GDABHM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCC[C@H](C)C2)s1	ZINC000260846731	531093083	/nfs/dbraw/zinc/09/30/83/531093083.db2.gz	YLGFCXHVUIBZSE-LBPRGKRZSA-N	-1	3	389.547	1.533	40	0		GDABHM
CN(Cc1c(F)cccc1Cl)S(=O)(=O)NC1CCN(CC(=O)[O-])CC1	ZINC000275312619	532286137	/nfs/dbraw/zinc/28/61/37/532286137.db2.gz	RMTFMIZMSOSRGC-UHFFFAOYSA-N	-1	3	393.868	1.294	40	0		GDABHM
Cc1nc([C@@H]([C@H]2CCCCN2)n2cc(C(=O)[O-])ccc2=O)sc1CCO	ZINC000257297973	212020422	/nfs/dbraw/zinc/02/04/22/212020422.db2.gz	RJOILXISOMWTNP-CZUORRHYSA-N	-1	3	377.466	1.578	40	0		GDABHM
COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1c(C)nc(C)[n-]c1=O	ZINC000019937513	210308362	/nfs/dbraw/zinc/30/83/62/210308362.db2.gz	WIGOBWYWXMAJFY-UHFFFAOYSA-N	-1	3	375.381	1.372	40	0		GDABHM
C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccccc2F)C3)C[C@H](C)O1	ZINC000072346951	136168878	/nfs/dbraw/zinc/16/88/78/136168878.db2.gz	FVGLROQEOLWOGI-BETUJISGSA-N	-1	3	386.427	1.721	40	0		GDABHM
CCOCCCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC	ZINC000408623849	528683503	/nfs/dbraw/zinc/68/35/03/528683503.db2.gz	QCAAAVTZGGRFSC-LLVKDONJSA-N	-1	3	378.878	1.558	40	0		GDABHM
Cn1c2cc(Cl)c(S(=O)(=O)[N-]Cc3ccc4c(c3)OCO4)cc2oc1=O	ZINC000223348124	570460932	/nfs/dbraw/zinc/46/09/32/570460932.db2.gz	NBPKDWDNFAFLJG-UHFFFAOYSA-N	-1	3	396.808	1.992	40	0		GDABHM
CCOc1ccccc1NC(=O)CN1CCc2nc(N3CCCC3)[n-]c(=O)c2C1	ZINC000012113740	570609562	/nfs/dbraw/zinc/60/95/62/570609562.db2.gz	LEWVNQIYPXNWSV-UHFFFAOYSA-N	-1	3	397.479	1.766	40	0		GDABHM
COc1ccc([O-])c(C(=O)N2CC[C@]3(C2)COCc2cnc(N(C)C)nc23)c1	ZINC000248143140	570721010	/nfs/dbraw/zinc/72/10/10/570721010.db2.gz	USKIDXVFMAETAZ-FQEVSTJZSA-N	-1	3	384.436	1.571	40	0		GDABHM
C[C@@H](NC(=O)Cc1cccc(Cl)c1)c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000019458372	210250845	/nfs/dbraw/zinc/25/08/45/210250845.db2.gz	BFDPPBHXQBSLOG-CYBMUJFWSA-N	-1	3	389.887	1.595	40	0		GDABHM
C[C@]1(CCC(=O)N2CCN(c3nsc4ccccc43)CC2)NC(=O)[N-]C1=O	ZINC000019460276	210250412	/nfs/dbraw/zinc/25/04/12/210250412.db2.gz	PODJWCFNWHRVAP-GOSISDBHSA-N	-1	3	387.465	1.323	40	0		GDABHM
CSCC[C@@H](NC(=O)c1ccnn1C)c1cc(=O)[n-]c(-c2cccnc2)n1	ZINC000019289184	210237110	/nfs/dbraw/zinc/23/71/10/210237110.db2.gz	QMIHUYOLQYDEMU-CYBMUJFWSA-N	-1	3	384.465	1.790	40	0		GDABHM
CC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3cccnc3)[n-]c2=O)C1	ZINC000019019004	210224138	/nfs/dbraw/zinc/22/41/38/210224138.db2.gz	UQENQLZYGGNUGR-QGZVFWFLSA-N	-1	3	381.436	1.849	40	0		GDABHM
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCCCC2)s1	ZINC000222984960	531028275	/nfs/dbraw/zinc/02/82/75/531028275.db2.gz	UWENHMNTQNXILR-UHFFFAOYSA-N	-1	3	389.547	1.677	40	0		GDABHM
O=S(=O)(c1ccccc1)N1CCO[C@H](c2cncc([N-]c3ncccn3)n2)C1	ZINC000257319521	212024881	/nfs/dbraw/zinc/02/48/81/212024881.db2.gz	VSXJMOJDSYQKQW-INIZCTEOSA-N	-1	3	398.448	1.772	40	0		GDABHM
CN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(Br)cc1	ZINC000071980039	211067023	/nfs/dbraw/zinc/06/70/23/211067023.db2.gz	UQKSXWYOWWEQQO-ZDUSSCGKSA-N	-1	3	383.242	1.797	40	0		GDABHM
Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)N[C@H]1CCOc2ccccc21	ZINC000019666953	210282543	/nfs/dbraw/zinc/28/25/43/210282543.db2.gz	UBMHBGHSXUUDLV-AWEZNQCLSA-N	-1	3	379.438	1.600	40	0		GDABHM
O=C([N-][C@H]1CS(=O)(=O)C[C@H]1NCc1ccccc1)C(Cl)(Cl)Cl	ZINC000575421125	570307137	/nfs/dbraw/zinc/30/71/37/570307137.db2.gz	NAQMEYDZRGLXTN-MNOVXSKESA-N	-1	3	385.700	1.428	40	0		GDABHM
Cc1nc(C)c(C(=O)N2CC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)s1	ZINC000012367214	570647242	/nfs/dbraw/zinc/64/72/42/570647242.db2.gz	WWECWSFFXDWWTR-ZDUSSCGKSA-N	-1	3	389.481	1.722	40	0		GDABHM
C[C@@H]1CN(CC(=O)N2CCC[C@@H]2c2nc(-c3ccncc3)cc(=O)[n-]2)C[C@@H](C)O1	ZINC000019497417	570926706	/nfs/dbraw/zinc/92/67/06/570926706.db2.gz	RMAVHMJFOYPHLU-IIDMSEBBSA-N	-1	3	397.479	1.605	40	0		GDABHM
O=C([O-])CN1CCC(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1	ZINC000566537766	650854192	/nfs/dbraw/zinc/85/41/92/650854192.db2.gz	KGIPVXHJWUPELW-UHFFFAOYSA-N	-1	3	382.360	1.413	40	0		GDABHM
CC(C)(C)OC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C1(NCC(=O)[O-])COC1	ZINC000306145544	212057173	/nfs/dbraw/zinc/05/71/73/212057173.db2.gz	IEUZJAFFCGYDHM-GFCCVEGCSA-N	-1	3	388.461	1.445	40	0		GDABHM
O=C(NC[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21)c1cscn1	ZINC000585095396	570921800	/nfs/dbraw/zinc/92/18/00/570921800.db2.gz	VBFVALNQPPRQGJ-CQSZACIVSA-N	-1	3	383.433	1.672	40	0		GDABHM
O=C(C[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21)NCc1ccccn1	ZINC000585095697	570922332	/nfs/dbraw/zinc/92/23/32/570922332.db2.gz	CMSBPINYMDKFMF-SFHVURJKSA-N	-1	3	391.431	1.887	40	0		GDABHM
CCN1CCN(c2nc([C@H](C)n3ncc4ccccc4c3=O)cc(=O)[n-]2)CC1	ZINC000019717523	571039903	/nfs/dbraw/zinc/03/99/03/571039903.db2.gz	LLVHBDYNSLQJGH-AWEZNQCLSA-N	-1	3	380.452	1.643	40	0		GDABHM
CC(C)[C@@H](NCc1nc2ccccc2n1C)c1cc(=O)[n-]c(N2CCOCC2)n1	ZINC000019445551	210248593	/nfs/dbraw/zinc/24/85/93/210248593.db2.gz	OBWYDKPMYXXTSE-HXUWFJFHSA-N	-1	3	396.495	1.980	40	0		GDABHM
CC(C)[C@H](NC(=O)C1CCCCC1)c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000019445521	210248310	/nfs/dbraw/zinc/24/83/10/210248310.db2.gz	JAWPSOJCPDLYTG-SFHVURJKSA-N	-1	3	375.517	1.915	40	0		GDABHM
Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)NCCO	ZINC000408680060	231094224	/nfs/dbraw/zinc/09/42/24/231094224.db2.gz	YGYHMEOWFRMFPL-UHFFFAOYSA-N	-1	3	382.413	1.422	40	0		GDABHM
O=C(Cc1ccc2c(c1)OCCO2)NCc1cc(=O)[n-]c(-c2ccncc2)n1	ZINC000019345729	210244755	/nfs/dbraw/zinc/24/47/55/210244755.db2.gz	IPCIGLWCJOJNLA-UHFFFAOYSA-N	-1	3	378.388	1.462	40	0		GDABHM
O=c1cc([C@@H]2CCN(Cc3cccc(F)c3F)C2)nc(N2CCOCC2)[n-]1	ZINC000019292690	210239749	/nfs/dbraw/zinc/23/97/49/210239749.db2.gz	DQQWJZOALBWVKF-CYBMUJFWSA-N	-1	3	376.407	1.874	40	0		GDABHM
Cc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)N1C(=O)CCn1ncc2ccccc21	ZINC000019286313	210234961	/nfs/dbraw/zinc/23/49/61/210234961.db2.gz	XOKZEHGUTCBPSD-CVEARBPZSA-N	-1	3	377.448	1.977	40	0		GDABHM
Cc1nc([C@H]([C@H]2CCCCN2)n2cc(C(=O)[O-])ccc2=O)sc1CCO	ZINC000257297972	212019266	/nfs/dbraw/zinc/01/92/66/212019266.db2.gz	RJOILXISOMWTNP-CJNGLKHVSA-N	-1	3	377.466	1.578	40	0		GDABHM
COc1ccc2c(c1)CCC[C@@H]2[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000225159107	211886075	/nfs/dbraw/zinc/88/60/75/211886075.db2.gz	URPBORBBJMZXGY-ZDUSSCGKSA-N	-1	3	382.467	1.861	40	0		GDABHM
O=C(CN1CCC(Nc2nc3c(c(=O)[n-]2)CCCC3)CC1)NC1CCCCC1	ZINC000072341829	211093817	/nfs/dbraw/zinc/09/38/17/211093817.db2.gz	YOHHWDVWYBTHTA-UHFFFAOYSA-N	-1	3	387.528	1.974	40	0		GDABHM
O=C([O-])c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c(=O)c1CN1CCCC1	ZINC000222670330	570419890	/nfs/dbraw/zinc/41/98/90/570419890.db2.gz	KWVGORNARIGLSI-UHFFFAOYSA-N	-1	3	383.326	1.839	40	0		GDABHM
CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1	ZINC000223277951	570455727	/nfs/dbraw/zinc/45/57/27/570455727.db2.gz	UAXORTRTWHVDMR-UHFFFAOYSA-N	-1	3	378.406	1.383	40	0		GDABHM
O=c1[n-]c(=O)c(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)c[nH]1	ZINC000032553827	570511355	/nfs/dbraw/zinc/51/13/55/570511355.db2.gz	IVTMPHIMBFVKML-UHFFFAOYSA-N	-1	3	392.462	1.241	40	0		GDABHM
C[C@H](c1cc(=O)[n-]c(NCCN2CCCC2=O)n1)n1ncc2ccccc2c1=O	ZINC000019717472	571039945	/nfs/dbraw/zinc/03/99/45/571039945.db2.gz	WZHDLWAQTHLGQM-CYBMUJFWSA-N	-1	3	394.435	1.123	40	0		GDABHM
COc1cccc(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)c1OC	ZINC000019568070	210265901	/nfs/dbraw/zinc/26/59/01/210265901.db2.gz	BOKWCOZTGJCJFB-UHFFFAOYSA-N	-1	3	384.480	1.988	40	0		GDABHM
CCOC(=O)Cc1csc(NC(=O)C[C@@H](NCc2ccco2)C(=O)[O-])n1	ZINC000096305824	211333695	/nfs/dbraw/zinc/33/36/95/211333695.db2.gz	DQFAOHPOKMVNAX-GFCCVEGCSA-N	-1	3	381.410	1.413	40	0		GDABHM
CN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(Br)cc1	ZINC000071980040	211068192	/nfs/dbraw/zinc/06/81/92/211068192.db2.gz	UQKSXWYOWWEQQO-CYBMUJFWSA-N	-1	3	383.242	1.797	40	0		GDABHM
Cc1cc(C(=O)Nc2ccc3c(c2)N(C)CCC3)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000019716343	210287415	/nfs/dbraw/zinc/28/74/15/210287415.db2.gz	KZPOCSRLJQJRKA-UHFFFAOYSA-N	-1	3	379.420	1.565	40	0		GDABHM
CN1CCN(c2nc(CNC(=O)c3nccc4ccccc43)cc(=O)[n-]2)CC1	ZINC000019590114	210273158	/nfs/dbraw/zinc/27/31/58/210273158.db2.gz	DYSGLIMXWOUWBH-UHFFFAOYSA-N	-1	3	378.436	1.412	40	0		GDABHM
Cc1nc(N2CCC[C@H](NC(=O)C[C@H]3NC(=O)c4ccccc43)C2)[n-]c(=O)c1C	ZINC000072342121	136168539	/nfs/dbraw/zinc/16/85/39/136168539.db2.gz	KJYVTNWSPYSMKB-WMLDXEAASA-N	-1	3	395.463	1.347	40	0		GDABHM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1	ZINC000223306718	570457568	/nfs/dbraw/zinc/45/75/68/570457568.db2.gz	LTEVIEALRWMUFS-UHFFFAOYSA-N	-1	3	391.449	1.913	40	0		GDABHM
O=C(NC[C@@H]1CCC2(CN(C(=O)c3cccc([O-])c3)C2)OC1)c1cccnc1	ZINC000575406148	570522399	/nfs/dbraw/zinc/52/23/99/570522399.db2.gz	WTQKBHADWSYIIR-HNNXBMFYSA-N	-1	3	381.432	1.838	40	0		GDABHM
CN(C)c1nc([C@@H]2CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)cc(=O)[n-]1	ZINC000012367384	570647142	/nfs/dbraw/zinc/64/71/42/570647142.db2.gz	WTFXMAREQPREAL-CYBMUJFWSA-N	-1	3	396.451	1.068	40	0		GDABHM
CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)CC1	ZINC000100768417	570710530	/nfs/dbraw/zinc/71/05/30/570710530.db2.gz	RGPVJNHIMSQFEG-LTAJLKHCSA-N	-1	3	383.533	1.898	40	0		GDABHM
COc1ccc(OC)c(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)c1	ZINC000019551673	210261931	/nfs/dbraw/zinc/26/19/31/210261931.db2.gz	APEMVOLAGOXXNK-UHFFFAOYSA-N	-1	3	384.480	1.988	40	0		GDABHM
CCc1onc(C)c1C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(C)=O)C2	ZINC000019521118	210255028	/nfs/dbraw/zinc/25/50/28/210255028.db2.gz	QVCFQIULRWOOEJ-OAHLLOKOSA-N	-1	3	399.451	1.511	40	0		GDABHM
CC(=O)N1CCc2c(=O)[n-]c([C@H]3CCN(C(=O)Cc4cccs4)C3)nc2C1	ZINC000019019130	210223619	/nfs/dbraw/zinc/22/36/19/210223619.db2.gz	MLJQDNWKMYQDCS-ZDUSSCGKSA-N	-1	3	386.477	1.707	40	0		GDABHM
CN1[C@H](C(=O)Nc2cc(Cl)ccc2[O-])C[C@@H](c2ccco2)NS1(=O)=O	ZINC000013494642	530559186	/nfs/dbraw/zinc/55/91/86/530559186.db2.gz	FDTUNWVNQZGCBX-RYUDHWBXSA-N	-1	3	385.829	1.857	40	0		GDABHM
COc1ccc(OC)c([C@H](C)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)c1	ZINC000224918211	531029990	/nfs/dbraw/zinc/02/99/90/531029990.db2.gz	XJXDHIHQYTWIRQ-QMMMGPOBSA-N	-1	3	386.455	1.553	40	0		GDABHM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCC[C@H](C)C2)s1	ZINC000260767889	531092614	/nfs/dbraw/zinc/09/26/14/531092614.db2.gz	PWPUKAISRFUJSE-NSHDSACASA-N	-1	3	375.520	1.287	40	0		GDABHM
COc1ccc(CN2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1C	ZINC000019571390	210268544	/nfs/dbraw/zinc/26/85/44/210268544.db2.gz	WBMIFHSPHMJLBB-UHFFFAOYSA-N	-1	3	384.480	1.937	40	0		GDABHM
CN1CCc2nc([C@@H]3CCCN(C(=O)c4cc(C5CC5)n[nH]4)C3)[n-]c(=O)c2C1	ZINC000019590263	210271822	/nfs/dbraw/zinc/27/18/22/210271822.db2.gz	CFHKTYXAVJHJRA-CYBMUJFWSA-N	-1	3	382.468	1.790	40	0		GDABHM
Cc1nc2c(c(=O)[n-]1)CC[C@@H]1CN(C(=O)C[C@H]3NC(=O)c4ccccc43)C[C@H]21	ZINC000012120067	221154142	/nfs/dbraw/zinc/15/41/42/221154142.db2.gz	NBBFSXLZDBTAJZ-OAUYIBNBSA-N	-1	3	378.432	1.441	40	0		GDABHM
CCn1c2cc(Cl)c(S(=O)(=O)[N-][C@@H]3CN4CCC3CC4)cc2oc1=O	ZINC000012362083	221184804	/nfs/dbraw/zinc/18/48/04/221184804.db2.gz	UTMBHNKJNJQVFP-GFCCVEGCSA-N	-1	3	385.873	1.640	40	0		GDABHM
Cc1nc(N2CCC[C@@H](NC(=O)C[C@H]3NC(=O)c4ccccc43)C2)[n-]c(=O)c1C	ZINC000072342122	136168506	/nfs/dbraw/zinc/16/85/06/136168506.db2.gz	KJYVTNWSPYSMKB-RHSMWYFYSA-N	-1	3	395.463	1.347	40	0		GDABHM
COc1ccccc1NC(=O)CN1CCc2nc(N3CCCC3)[n-]c(=O)c2C1	ZINC000012144564	570616035	/nfs/dbraw/zinc/61/60/35/570616035.db2.gz	CXASWQYOPXNDRC-UHFFFAOYSA-N	-1	3	383.452	1.376	40	0		GDABHM
CC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)CN(C)C)CC2	ZINC000019499852	210255044	/nfs/dbraw/zinc/25/50/44/210255044.db2.gz	SGGKOQOFEVWJPC-CZUORRHYSA-N	-1	3	389.500	1.338	40	0		GDABHM
CC(=O)Nc1ccc(CN2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)cc1	ZINC000019022504	210223745	/nfs/dbraw/zinc/22/37/45/210223745.db2.gz	LDJATFBLHKRHAH-UHFFFAOYSA-N	-1	3	390.447	1.786	40	0		GDABHM
COC(=O)C(Cc1nc2ccccc2[nH]c1=O)=C([O-])C(=O)Nc1ccc(F)cc1	ZINC000016958034	210200217	/nfs/dbraw/zinc/20/02/17/210200217.db2.gz	FDGBLPYHPVKNQR-ZDUSSCGKSA-N	-1	3	397.362	1.602	40	0		GDABHM
O=C([O-])[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccncc1	ZINC000071980654	211067927	/nfs/dbraw/zinc/06/79/27/211067927.db2.gz	YHABUHZFAGRKCB-SFHVURJKSA-N	-1	3	381.432	2.000	40	0		GDABHM
Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)N[C@@H]1CCOc2ccccc21	ZINC000019666950	210282240	/nfs/dbraw/zinc/28/22/40/210282240.db2.gz	UBMHBGHSXUUDLV-CQSZACIVSA-N	-1	3	379.438	1.600	40	0		GDABHM
Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCOCC4)[n-]c(=O)c32)c(C)c1	ZINC000020800181	570281391	/nfs/dbraw/zinc/28/13/91/570281391.db2.gz	DAIBKZYDDFYCKT-ZDUSSCGKSA-N	-1	3	397.435	1.288	40	0		GDABHM
O=C([N-][C@@H]1CS(=O)(=O)C[C@H]1NCc1ccccc1)C(Cl)(Cl)Cl	ZINC000575421115	570307033	/nfs/dbraw/zinc/30/70/33/570307033.db2.gz	NAQMEYDZRGLXTN-GHMZBOCLSA-N	-1	3	385.700	1.428	40	0		GDABHM
O=C(C[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21)NCC1CCOCC1	ZINC000585095158	570921270	/nfs/dbraw/zinc/92/12/70/570921270.db2.gz	GPUHBQXLCUVUSD-SFHVURJKSA-N	-1	3	398.463	1.719	40	0		GDABHM
CC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)Cc3ccccc3)[n-]c2=O)C1	ZINC000019018959	570954970	/nfs/dbraw/zinc/95/49/70/570954970.db2.gz	UAFDVGPLQRCXJP-IBGZPJMESA-N	-1	3	394.475	1.971	40	0		GDABHM
COc1cccc(OC)c1CN1CCc2nc(-c3cnccn3)[n-]c(=O)c2C1	ZINC000019567107	210265008	/nfs/dbraw/zinc/26/50/08/210265008.db2.gz	ZPHHFQISCPBQLR-UHFFFAOYSA-N	-1	3	379.420	1.802	40	0		GDABHM
CCCc1cc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)=O)C3)no1	ZINC000019525329	210257205	/nfs/dbraw/zinc/25/72/05/210257205.db2.gz	CBNWLDKOJLCLLO-QGZVFWFLSA-N	-1	3	399.451	1.592	40	0		GDABHM
CCc1cc(=O)[n-]c([C@H]2CCCN2C(=O)CCn2c3ccccc3oc2=O)n1	ZINC000019522531	210256010	/nfs/dbraw/zinc/25/60/10/210256010.db2.gz	UGFJRDUPVZTUMT-OAHLLOKOSA-N	-1	3	382.420	1.994	40	0		GDABHM
CC(=O)N1CCc2c(=O)[n-]c([C@H]3CCN(C(=O)c4cccc(F)c4)C3)nc2C1	ZINC000019019142	210224212	/nfs/dbraw/zinc/22/42/12/210224212.db2.gz	PCCSJOJEPPGNDK-AWEZNQCLSA-N	-1	3	384.411	1.856	40	0		GDABHM
COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(S(N)(=O)=O)cc1	ZINC000020768672	530569888	/nfs/dbraw/zinc/56/98/88/530569888.db2.gz	HSSQIVGNXQXTQR-UHFFFAOYSA-N	-1	3	390.870	1.475	40	0		GDABHM
O=S(=O)([N-]c1ccc(N[C@H]2CS(=O)(=O)C[C@@H]2O)cc1)c1ccccc1	ZINC000575423763	532014397	/nfs/dbraw/zinc/01/43/97/532014397.db2.gz	QDCULGOROZGQKP-HOTGVXAUSA-N	-1	3	382.463	1.057	40	0		GDABHM
C[C@@]1(O)CCN(C(=O)OCc2ccccc2)C[C@H]1n1cc(Cl)c(=O)[n-]c1=O	ZINC000257306648	212021500	/nfs/dbraw/zinc/02/15/00/212021500.db2.gz	SVFHIUUVQLYLSP-RDTXWAMCSA-N	-1	3	393.827	1.937	40	0		GDABHM
Cc1nc2c(c(=O)[n-]1)CC[C@@H]1CN(C(=O)C[C@@H]3OC(=O)c4ccccc43)C[C@H]21	ZINC000072336072	211092968	/nfs/dbraw/zinc/09/29/68/211092968.db2.gz	BFPGAEHBRRONNN-DQYPLSBCSA-N	-1	3	379.416	1.868	40	0		GDABHM
CC(=O)Nc1ccc(CN2CCc3c(nc(N4CCOCC4)[n-]c3=O)C2)cc1	ZINC000036735005	570568861	/nfs/dbraw/zinc/56/88/61/570568861.db2.gz	IFIFMHLVHKUHIE-UHFFFAOYSA-N	-1	3	383.452	1.123	40	0		GDABHM
CCn1c(CN2CCc3c(=O)[n-]c(N4CCOCC4)nc3C2)nc2ccccc21	ZINC000012145289	570615761	/nfs/dbraw/zinc/61/57/61/570615761.db2.gz	ZACCMZQXOHIJDG-UHFFFAOYSA-N	-1	3	394.479	1.534	40	0		GDABHM
CCN1CCN(c2nc([C@H]3CC(=O)N(Cc4ccccc4)C3)cc(=O)[n-]2)CC1	ZINC000019528236	210258054	/nfs/dbraw/zinc/25/80/54/210258054.db2.gz	AHBCLHFDPKWQEA-KRWDZBQOSA-N	-1	3	381.480	1.840	40	0		GDABHM
CCc1cc(=O)[n-]c([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)CC)CC2)n1	ZINC000019522524	210257167	/nfs/dbraw/zinc/25/71/67/210257167.db2.gz	ZANBKRJRDRDNMO-HNNXBMFYSA-N	-1	3	396.513	1.058	40	0		GDABHM
CCn1nc(C)c(CN2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)c1C	ZINC000019523838	210255933	/nfs/dbraw/zinc/25/59/33/210255933.db2.gz	GYDKOHNKCKKQMG-UHFFFAOYSA-N	-1	3	386.500	1.453	40	0		GDABHM
CC(C)[C@@H](NC(=O)C1CCCCC1)c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000019445519	210249313	/nfs/dbraw/zinc/24/93/13/210249313.db2.gz	JAWPSOJCPDLYTG-GOSISDBHSA-N	-1	3	375.517	1.915	40	0		GDABHM
O=C(C1CC1)N1CCc2nc([C@@H]3CCCN(C(=O)C4CCC4)C3)[n-]c(=O)c2C1	ZINC000019014458	210222197	/nfs/dbraw/zinc/22/21/97/210222197.db2.gz	JEEQANROAWXRDG-OAHLLOKOSA-N	-1	3	384.480	1.571	40	0		GDABHM
CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc([O-])c2C(=O)N2CCOCC2)[C@@H]1O	ZINC000257246181	212010296	/nfs/dbraw/zinc/01/02/96/212010296.db2.gz	ISXHAHYANSTPLH-GVCRSNKDSA-N	-1	3	389.448	1.456	40	0		GDABHM
CN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccccc1Br	ZINC000071980052	211067380	/nfs/dbraw/zinc/06/73/80/211067380.db2.gz	UGOWBDMBDIMHHJ-CYBMUJFWSA-N	-1	3	383.242	1.797	40	0		GDABHM
Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(N4CCOCC4)[n-]c(=O)c32)c1	ZINC000019961105	210309987	/nfs/dbraw/zinc/30/99/87/210309987.db2.gz	XGNOSUPASNPNHY-ZDUSSCGKSA-N	-1	3	397.435	1.288	40	0		GDABHM
C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccccc2F)C3)C[C@@H](C)O1	ZINC000072346953	136168798	/nfs/dbraw/zinc/16/87/98/136168798.db2.gz	FVGLROQEOLWOGI-CHWSQXEVSA-N	-1	3	386.427	1.721	40	0		GDABHM
COc1ccc(Cl)cc1-n1c(=O)[nH]c(C(=O)[O-])c(CN2CCCC2)c1=O	ZINC000222674905	570420237	/nfs/dbraw/zinc/42/02/37/570420237.db2.gz	WDWQYNMOKAPVEE-UHFFFAOYSA-N	-1	3	379.800	1.482	40	0		GDABHM
C[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1cc(=O)[n-]c(N2CCC(C)CC2)n1	ZINC000019496999	210253601	/nfs/dbraw/zinc/25/36/01/210253601.db2.gz	CYXVGKMOXHSRFX-KGLIPLIRSA-N	-1	3	396.513	1.008	40	0		GDABHM
CC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCN(C(=O)Cc4cccc(C)c4)C3)nc2C1	ZINC000019234618	210232502	/nfs/dbraw/zinc/23/25/02/210232502.db2.gz	LSZKCFJIGXPIFS-QGZVFWFLSA-N	-1	3	394.475	1.542	40	0		GDABHM
Cc1ccc(OCC(=O)N2CCC[C@@H]2Cn2nnc3c2nc(C)[n-]c3=O)cc1	ZINC000019210987	210231121	/nfs/dbraw/zinc/23/11/21/210231121.db2.gz	BOAPLOXQQUWBEP-CQSZACIVSA-N	-1	3	382.424	1.201	40	0		GDABHM
O=C([O-])CN1CCC(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1	ZINC000275331970	532287642	/nfs/dbraw/zinc/28/76/42/532287642.db2.gz	UGQFNPSIHLCANO-UHFFFAOYSA-N	-1	3	382.360	1.413	40	0		GDABHM
O=C1[N-][C@@]2(O)Oc3c(Br)cc(Br)cc3C=C2C(=O)N1	ZINC000003173595	212063523	/nfs/dbraw/zinc/06/35/23/212063523.db2.gz	NLXQPXWTQIGNQE-NSHDSACASA-N	-1	3	389.987	1.473	40	0		GDABHM
O=C(Cc1ccc(CO)cc1)N1CCC[C@@]2(Cc3c([nH]c(=O)[n-]c3=O)O2)CC1	ZINC000257238489	212009122	/nfs/dbraw/zinc/00/91/22/212009122.db2.gz	HLEZOWOIGALQNV-FQEVSTJZSA-N	-1	3	385.420	1.309	40	0		GDABHM
CCN(CC)c1ccc(C(=O)N[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)c([O-])c1	ZINC000257203728	212002813	/nfs/dbraw/zinc/00/28/13/212002813.db2.gz	ARKBWZWESQQYEY-ZHALLVOQSA-N	-1	3	377.485	1.192	40	0		GDABHM
COc1ccccc1CN1CCc2c(nc(N3C[C@@H](C)O[C@H](C)C3)[n-]c2=O)C1	ZINC000072347238	136168660	/nfs/dbraw/zinc/16/86/60/136168660.db2.gz	KGPIZTSFFZVSIR-HUUCEWRRSA-N	-1	3	384.480	1.950	40	0		GDABHM
COc1ccc(Cl)cc1-n1c(=O)[nH]c(C(=O)[O-])c(CN2CCCCC2)c1=O	ZINC000222674995	570420205	/nfs/dbraw/zinc/42/02/05/570420205.db2.gz	QGEUCWUJZRPLLW-UHFFFAOYSA-N	-1	3	393.827	1.872	40	0		GDABHM
CN(C)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1	ZINC000223305838	570457588	/nfs/dbraw/zinc/45/75/88/570457588.db2.gz	UWJHMRABTPFYSC-UHFFFAOYSA-N	-1	3	392.433	1.726	40	0		GDABHM
O=C(C[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21)N1CC(F)(F)C1	ZINC000575404422	570520860	/nfs/dbraw/zinc/52/08/60/570520860.db2.gz	BZAGJSXWLCWPIL-CQSZACIVSA-N	-1	3	376.363	1.653	40	0		GDABHM
COc1ccc(C)cc1NC(=O)C1CC(=O)Nc2nc(N3CCCC3)[n-]c(=O)c21	ZINC000040390732	570599722	/nfs/dbraw/zinc/59/97/22/570599722.db2.gz	UMAQTWLUEUKLID-GFCCVEGCSA-N	-1	3	397.435	1.752	40	0		GDABHM
O=C(NCc1cccnc1)[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2cncn21	ZINC000585096171	570922667	/nfs/dbraw/zinc/92/26/67/570922667.db2.gz	WRTJUHGEPWIHLJ-GOSISDBHSA-N	-1	3	377.404	1.497	40	0		GDABHM
COc1ccc(OC)c(CN2CCC[C@@H](Cn3nnc4c3nc(C)[n-]c4=O)C2)c1	ZINC000019286464	210235322	/nfs/dbraw/zinc/23/53/22/210235322.db2.gz	LWYPEPPSKGLIPO-CQSZACIVSA-N	-1	3	398.467	1.752	40	0		GDABHM
Cc1ccc(C(=O)N2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)c(=O)[nH]1	ZINC000019131401	210226810	/nfs/dbraw/zinc/22/68/10/210226810.db2.gz	IADPMHBBQISLTE-AWEZNQCLSA-N	-1	3	377.404	1.871	40	0		GDABHM
COCC(=O)N1CCC(c2nc([C@H]3CCCN(C(C)=O)C3)cc(=O)[n-]2)CC1	ZINC000019017000	210222213	/nfs/dbraw/zinc/22/22/13/210222213.db2.gz	AQKAVCUPHUNKPZ-HNNXBMFYSA-N	-1	3	376.457	1.261	40	0		GDABHM
O=C([O-])c1[nH]c(=O)n(-c2ccc(Br)cc2)c(=O)c1CN1CCCC1	ZINC000222665824	531028241	/nfs/dbraw/zinc/02/82/41/531028241.db2.gz	PDHOLARLMLQLMA-UHFFFAOYSA-N	-1	3	394.225	1.582	40	0		GDABHM
O=S(=O)(c1ccccc1)N1CCO[C@@H](c2cncc([N-]c3ncccn3)n2)C1	ZINC000257319522	212023789	/nfs/dbraw/zinc/02/37/89/212023789.db2.gz	VSXJMOJDSYQKQW-MRXNPFEDSA-N	-1	3	398.448	1.772	40	0		GDABHM
CCN(Cc1ccc(OCC(=O)[O-])cc1)C[C@@]1(C)Cc2c(nc(N)nc2N)O1	ZINC000257304215	212019214	/nfs/dbraw/zinc/01/92/14/212019214.db2.gz	SKODASLCTWYFKV-LJQANCHMSA-N	-1	3	387.440	1.320	40	0		GDABHM
COCCOc1ccc(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)cc1	ZINC000019593731	210274316	/nfs/dbraw/zinc/27/43/16/210274316.db2.gz	RJFBFABHSDCIHA-UHFFFAOYSA-N	-1	3	398.507	1.996	40	0		GDABHM
O=C(Nc1nnc(S(=O)(=O)[N-]CCCN2CCCC2)s1)c1ccccc1	ZINC000225364024	570567548	/nfs/dbraw/zinc/56/75/48/570567548.db2.gz	ZYZRSUBHFSSOJZ-UHFFFAOYSA-N	-1	3	395.510	1.555	40	0		GDABHM
Cc1nc2c(nnn2C[C@H]2CCCN2C(=O)C2(c3ccccc3)CC2)c(=O)[n-]1	ZINC000012337193	570644736	/nfs/dbraw/zinc/64/47/36/570644736.db2.gz	RZYUTXPFMDKZHQ-OAHLLOKOSA-N	-1	3	378.436	1.958	40	0		GDABHM
CCOc1cc(CCC(=O)N2CC[C@H](c3cc(=O)[n-]c(N(C)C)n3)C2)on1	ZINC000012367486	570647724	/nfs/dbraw/zinc/64/77/24/570647724.db2.gz	KDOQJIWMPJNIQP-LBPRGKRZSA-N	-1	3	375.429	1.584	40	0		GDABHM
CSCC[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C(=O)[O-])CC1	ZINC000100779081	570710902	/nfs/dbraw/zinc/71/09/02/570710902.db2.gz	NKJHOUHWBHYJQQ-XGUBFFRZSA-N	-1	3	385.530	1.065	40	0		GDABHM
O=C(NCC1CCOCC1)[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21	ZINC000585094650	570921233	/nfs/dbraw/zinc/92/12/33/570921233.db2.gz	LEBTZBUNTMSQCC-SFHVURJKSA-N	-1	3	384.436	1.329	40	0		GDABHM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCCCCC2)s1	ZINC000225386378	531029985	/nfs/dbraw/zinc/02/99/85/531029985.db2.gz	CPAZGAWGAQSTRL-UHFFFAOYSA-N	-1	3	389.547	1.677	40	0		GDABHM
O=C([O-])CN1CCC(NS(=O)(=O)c2ccc(F)c(Br)c2)CC1	ZINC000275288446	532284080	/nfs/dbraw/zinc/28/40/80/532284080.db2.gz	OZZAFYLKONXESF-UHFFFAOYSA-N	-1	3	395.250	1.416	40	0		GDABHM
Cc1cc(N2CCOCC2)nc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2)n1	ZINC000224184361	136206396	/nfs/dbraw/zinc/20/63/96/136206396.db2.gz	ZFBZECCQNGPHAA-UHFFFAOYSA-N	-1	3	384.408	1.378	40	0		GDABHM
Cc1nn(C)c(C)c1CN(C)C(=O)C(C)(C)[N-]S(=O)(=O)c1cccs1	ZINC000072390301	222246900	/nfs/dbraw/zinc/24/69/00/222246900.db2.gz	WIWBTEABEGVMRH-UHFFFAOYSA-N	-1	3	384.527	1.814	40	0		GDABHM
NC1=C2C(=O)Oc3cc([O-])ccc3[C@H]2[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2S1	ZINC000079495288	570510827	/nfs/dbraw/zinc/51/08/27/570510827.db2.gz	PBQVSGVMZXQOLQ-LZWOXQAQSA-N	-1	3	394.408	1.870	40	0		GDABHM
Cn1cccc1C(=O)NCC[C@H]1CCOC12CN(C(=O)c1cccc([O-])c1)C2	ZINC000575402670	570519161	/nfs/dbraw/zinc/51/91/61/570519161.db2.gz	DUYZQQDLGXTYQI-INIZCTEOSA-N	-1	3	383.448	1.782	40	0		GDABHM
CCc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)cc1	ZINC000038828284	570583451	/nfs/dbraw/zinc/58/34/51/570583451.db2.gz	QLBFTRYFJOCFEJ-CQSZACIVSA-N	-1	3	381.436	1.997	40	0		GDABHM
COc1cccc(OC)c1CN1CCC[C@@H](Cn2nnc3c2nc(C)[n-]c3=O)C1	ZINC000019286463	570969731	/nfs/dbraw/zinc/96/97/31/570969731.db2.gz	NEAWAOUNCBVVJP-CQSZACIVSA-N	-1	3	398.467	1.752	40	0		GDABHM
COc1cccc2c1OC[C@H](C(=O)NCc1cc(=O)[n-]c(-c3ccncc3)n1)C2	ZINC000019568328	571009160	/nfs/dbraw/zinc/00/91/60/571009160.db2.gz	VPOWBIMUEOVQIW-OAHLLOKOSA-N	-1	3	392.415	1.708	40	0		GDABHM
Cc1cc(C)n(CCC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)n1	ZINC000019573866	571011102	/nfs/dbraw/zinc/01/11/02/571011102.db2.gz	ZOOAETJMLQDRNC-INIZCTEOSA-N	-1	3	398.511	1.780	40	0		GDABHM
COCCc1ncc(CN2CCc3nc(-c4ccccn4)[n-]c(=O)c3CC2)cn1	ZINC000019593858	571020199	/nfs/dbraw/zinc/02/01/99/571020199.db2.gz	ZEMPZHQROGZXJD-UHFFFAOYSA-N	-1	3	392.463	1.412	40	0		GDABHM
Cc1nn(C)cc1S(=O)(=O)N1N=C(c2ccccc2)C[C@@]1([O-])C(F)(F)F	ZINC000017079239	221377317	/nfs/dbraw/zinc/37/73/17/221377317.db2.gz	KEKFGNQLQZNJRH-CQSZACIVSA-N	-1	3	388.371	1.778	40	0		GDABHM
COc1cc(CC(=O)N2CC[C@H](c3cc(=O)[n-]c(C)n3)C2)cc(OC)c1OC	ZINC000072389821	222247107	/nfs/dbraw/zinc/24/71/07/222247107.db2.gz	GBHLGXHFYZABKJ-AWEZNQCLSA-N	-1	3	387.436	1.663	40	0		GDABHM
O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)NCCN1CCOCC1	ZINC000019937719	570232174	/nfs/dbraw/zinc/23/21/74/570232174.db2.gz	ZWFACGAYFOEHLY-UHFFFAOYSA-N	-1	3	376.844	1.081	40	0		GDABHM
Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCOCC4)[n-]c(=O)c32)c(C)c1	ZINC000020800177	570281445	/nfs/dbraw/zinc/28/14/45/570281445.db2.gz	DAIBKZYDDFYCKT-CYBMUJFWSA-N	-1	3	397.435	1.288	40	0		GDABHM
Cn1cccc1C(=O)NCC[C@@H]1CCOC12CN(C(=O)c1cccc([O-])c1)C2	ZINC000575402671	570519147	/nfs/dbraw/zinc/51/91/47/570519147.db2.gz	DUYZQQDLGXTYQI-MRXNPFEDSA-N	-1	3	383.448	1.782	40	0		GDABHM
O=C(NC[C@@H]1CCC2(CN(C(=O)c3cccc([O-])c3)C2)OC1)c1cnccn1	ZINC000575402820	570519526	/nfs/dbraw/zinc/51/95/26/570519526.db2.gz	CVODSLLUVAJAKU-AWEZNQCLSA-N	-1	3	382.420	1.233	40	0		GDABHM
COc1ncccc1-c1cc(=O)[n-]c([C@@H]2CCN(C(=O)c3ccccn3)C2)n1	ZINC000019594695	571020438	/nfs/dbraw/zinc/02/04/38/571020438.db2.gz	LBBVBTRLNSPHMQ-CYBMUJFWSA-N	-1	3	377.404	1.865	40	0		GDABHM
Cc1c([C@H](C)NC(=O)c2cc(C(C)C)nc3c2c(=O)[n-]c(=O)n3C)cnn1C	ZINC000019714535	571035933	/nfs/dbraw/zinc/03/59/33/571035933.db2.gz	KLJSMAGUPHPLQN-JTQLQIEISA-N	-1	3	384.440	1.278	40	0		GDABHM
COc1ccc(CN(C)S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1	ZINC000223018492	531028596	/nfs/dbraw/zinc/02/85/96/531028596.db2.gz	QXTCSWRRWUIZQO-UHFFFAOYSA-N	-1	3	384.479	1.887	40	0		GDABHM
COCCc1ncc(CN2CCc3nc(-c4ccncc4)[n-]c(=O)c3C2)cn1	ZINC000012121929	221155067	/nfs/dbraw/zinc/15/50/67/221155067.db2.gz	SUGGKJMOXHOSNX-UHFFFAOYSA-N	-1	3	378.436	1.781	40	0		GDABHM
C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)CCN(Cc2cnc(N(C)C)nc2)C3)C1	ZINC000012132540	221157202	/nfs/dbraw/zinc/15/72/02/221157202.db2.gz	GYDANBZNZDZMNN-CQSZACIVSA-N	-1	3	383.500	1.421	40	0		GDABHM
CC1CCN(c2nc3c(c(=O)[n-]2)CCN(Cc2cnc(N(C)C)nc2)C3)CC1	ZINC000012132597	221158148	/nfs/dbraw/zinc/15/81/48/221158148.db2.gz	JZNAVIMKCKTHEU-UHFFFAOYSA-N	-1	3	383.500	1.421	40	0		GDABHM
CCOc1cc(CCC(=O)N2CC[C@@H](c3cc(=O)[n-]c(N(C)C)n3)C2)on1	ZINC000012367480	221184451	/nfs/dbraw/zinc/18/44/51/221184451.db2.gz	KDOQJIWMPJNIQP-GFCCVEGCSA-N	-1	3	375.429	1.584	40	0		GDABHM
CC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCN(C(=O)Cc4ccc(F)cc4)C3)nc2C1	ZINC000019019097	221395611	/nfs/dbraw/zinc/39/56/11/221395611.db2.gz	RGSBGKOYBOXOGY-OAHLLOKOSA-N	-1	3	398.438	1.785	40	0		GDABHM
COCC(=O)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CCN(C(C)C)C3	ZINC000100234063	570269718	/nfs/dbraw/zinc/26/97/18/570269718.db2.gz	MUDZAAKQJRCXGS-KRWDZBQOSA-N	-1	3	387.484	1.901	40	0		GDABHM
COc1ccc(-n2c(=O)[nH]c(C(=O)[O-])c(CN3CCCCC3)c2=O)cc1Cl	ZINC000222675448	570420275	/nfs/dbraw/zinc/42/02/75/570420275.db2.gz	YKWVTBHFDKBBBR-UHFFFAOYSA-N	-1	3	393.827	1.872	40	0		GDABHM
O=C(NC[C@H]1CO[C@@H]2CN(C(=O)c3cccc([O-])c3)C[C@H]12)C1CC(F)(F)C1	ZINC000575405434	570521470	/nfs/dbraw/zinc/52/14/70/570521470.db2.gz	SPRKPTBYQPTGIC-NUEKZKHPSA-N	-1	3	380.391	1.641	40	0		GDABHM
CCc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)cc1	ZINC000038828286	570583712	/nfs/dbraw/zinc/58/37/12/570583712.db2.gz	QLBFTRYFJOCFEJ-AWEZNQCLSA-N	-1	3	381.436	1.997	40	0		GDABHM
O=C([O-])CN1CCCC[C@H](N2CCC(C(=O)Nc3ccc(F)cc3)CC2)C1=O	ZINC000643874562	570671651	/nfs/dbraw/zinc/67/16/51/570671651.db2.gz	YXXPNLKVRVRSIE-KRWDZBQOSA-N	-1	3	391.443	1.942	40	0		GDABHM
CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](CC(C)C)C(=O)[O-])CC1	ZINC000100772886	570710554	/nfs/dbraw/zinc/71/05/54/570710554.db2.gz	ZVQIFFJMQKOYTJ-UUAJXVIYSA-N	-1	3	383.533	1.898	40	0		GDABHM
O=c1cc([C@H]2CCN(Cc3cccc(F)c3F)C2)nc(N2CCOCC2)[n-]1	ZINC000019292691	570972772	/nfs/dbraw/zinc/97/27/72/570972772.db2.gz	DQQWJZOALBWVKF-ZDUSSCGKSA-N	-1	3	376.407	1.874	40	0		GDABHM
COc1ccc(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)cc1OC	ZINC000019561168	571005431	/nfs/dbraw/zinc/00/54/31/571005431.db2.gz	JBJHRIXMQHAACT-UHFFFAOYSA-N	-1	3	384.480	1.988	40	0		GDABHM
COc1ncccc1-c1cc(=O)[n-]c([C@@H]2CCN(C(=O)c3cnccn3)C2)n1	ZINC000019594701	571020346	/nfs/dbraw/zinc/02/03/46/571020346.db2.gz	UPVWDMSIYAWEFY-GFCCVEGCSA-N	-1	3	378.392	1.260	40	0		GDABHM
Cc1nc(C)c(S(=O)(=O)[N-]CCS(=O)(=O)c2ccc(F)cc2)s1	ZINC000019715983	530568568	/nfs/dbraw/zinc/56/85/68/530568568.db2.gz	KIPLJMODMSWOFD-UHFFFAOYSA-N	-1	3	378.472	1.651	40	0		GDABHM
CC[C@@H](CO)[N-]S(=O)(=O)c1cc(I)ccc1OC	ZINC000096305763	530818558	/nfs/dbraw/zinc/81/85/58/530818558.db2.gz	IVKSAJNDVPLRIY-VIFPVBQESA-N	-1	3	385.223	1.349	40	0		GDABHM
C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)CCN(Cc2cnc(N(C)C)nc2)C3)C1	ZINC000012132545	221157234	/nfs/dbraw/zinc/15/72/34/221157234.db2.gz	GYDANBZNZDZMNN-AWEZNQCLSA-N	-1	3	383.500	1.421	40	0		GDABHM
CC(C)(C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(S(C)(=O)=O)CC3)C1	ZINC000019081286	221396940	/nfs/dbraw/zinc/39/69/40/221396940.db2.gz	GNZVATFFBLYCON-GFCCVEGCSA-N	-1	3	396.513	1.252	40	0		GDABHM
Cc1cc(N2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[n-]c3=O)C2)nc(Cl)n1	ZINC000057731251	136153824	/nfs/dbraw/zinc/15/38/24/136153824.db2.gz	MMYMKRNDJVZMOS-TXEJJXNPSA-N	-1	3	390.875	1.698	40	0		GDABHM
CN1[C@H](C(=O)Nc2cc(Cl)ccc2[O-])C[C@H](c2ccco2)NS1(=O)=O	ZINC000036056729	221840845	/nfs/dbraw/zinc/84/08/45/221840845.db2.gz	FDTUNWVNQZGCBX-NEPJUHHUSA-N	-1	3	385.829	1.857	40	0		GDABHM
O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CCOCC1	ZINC000408536462	534627191	/nfs/dbraw/zinc/62/71/91/534627191.db2.gz	ZQGPECFVBPJWOY-UHFFFAOYSA-N	-1	3	394.424	1.864	40	0		GDABHM
CC(=O)Nc1ccc(C(=O)N2CCC[C@]3(Cc4c([nH]c(=O)[n-]c4=O)O3)CC2)cc1	ZINC000257269507	570773133	/nfs/dbraw/zinc/77/31/33/570773133.db2.gz	MQHGWXHVAVJHTJ-HXUWFJFHSA-N	-1	3	398.419	1.846	40	0		GDABHM
C=Cn1ncc(CN2CCC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)c1C	ZINC000019554360	571002558	/nfs/dbraw/zinc/00/25/58/571002558.db2.gz	SVAWYHZVUHTGOL-MRXNPFEDSA-N	-1	3	384.484	1.592	40	0		GDABHM
CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1	ZINC000408598418	529917942	/nfs/dbraw/zinc/91/79/42/529917942.db2.gz	ZYBUJFMDXUUDJY-LBPRGKRZSA-N	-1	3	391.449	1.959	40	0		GDABHM
O=C(C1CCC1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccnc2)CC3)C1	ZINC000072399141	222254157	/nfs/dbraw/zinc/25/41/57/222254157.db2.gz	KYSIECJGBDIUOD-QGZVFWFLSA-N	-1	3	393.491	1.839	40	0		GDABHM
O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)NCCCN1CCOCC1	ZINC000019937720	570232033	/nfs/dbraw/zinc/23/20/33/570232033.db2.gz	VXODPXILPXUJGH-UHFFFAOYSA-N	-1	3	390.871	1.471	40	0		GDABHM
O=C(NC[C@H]1CCC2(CN(C(=O)c3cccc([O-])c3)C2)OC1)c1cnccn1	ZINC000575402821	570519464	/nfs/dbraw/zinc/51/94/64/570519464.db2.gz	CVODSLLUVAJAKU-CQSZACIVSA-N	-1	3	382.420	1.233	40	0		GDABHM
CCN(Cc1ccccc1OCC(=O)[O-])C[C@@]1(C)Cc2c(nc(N)nc2N)O1	ZINC000257305185	570778972	/nfs/dbraw/zinc/77/89/72/570778972.db2.gz	SOTMFHKPBCTQKZ-LJQANCHMSA-N	-1	3	387.440	1.320	40	0		GDABHM
C[C@@H](NC(=O)C1(c2cccc(F)c2)CC1)c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000019458356	570987852	/nfs/dbraw/zinc/98/78/52/570987852.db2.gz	KFFLBYKLLHVMIC-CQSZACIVSA-N	-1	3	399.470	1.570	40	0		GDABHM
CC[C@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)CN(C)C)CC2	ZINC000019499855	570991969	/nfs/dbraw/zinc/99/19/69/570991969.db2.gz	SGGKOQOFEVWJPC-BBRMVZONSA-N	-1	3	389.500	1.338	40	0		GDABHM
CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)CN(C)C)CC2	ZINC000019499853	570992188	/nfs/dbraw/zinc/99/21/88/570992188.db2.gz	SGGKOQOFEVWJPC-XJKSGUPXSA-N	-1	3	389.500	1.338	40	0		GDABHM
CCCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2	ZINC000019501337	570992901	/nfs/dbraw/zinc/99/29/01/570992901.db2.gz	WUBFVSALLPJIOL-KRWDZBQOSA-N	-1	3	395.463	1.827	40	0		GDABHM
COc1cccc2c1OC[C@H](C(=O)NCc1cc(=O)[n-]c(-c3cccnc3)n1)C2	ZINC000019568322	571009358	/nfs/dbraw/zinc/00/93/58/571009358.db2.gz	USRCJSBVWOQISN-OAHLLOKOSA-N	-1	3	392.415	1.708	40	0		GDABHM
COc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CC[C@@H]2NC(=O)[N-]C2=O)cc1	ZINC000012145688	221159015	/nfs/dbraw/zinc/15/90/15/221159015.db2.gz	NGGPBLAMQVDYSX-CVEARBPZSA-N	-1	3	397.435	1.363	40	0		GDABHM
CCCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)Cc1ccc(OC)cc1	ZINC000071980314	222203362	/nfs/dbraw/zinc/20/33/62/222203362.db2.gz	LVEBSNZHBLCXSP-QGZVFWFLSA-N	-1	3	376.453	1.752	40	0		GDABHM
CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)cc1	ZINC000038828319	570583607	/nfs/dbraw/zinc/58/36/07/570583607.db2.gz	UBZWUYHRUWOJQO-CQSZACIVSA-N	-1	3	397.435	1.833	40	0		GDABHM
C[C@H]1c2nc(CC(=O)N3CCOCC3)cn2CCN1C(=O)c1cccc([O-])c1	ZINC000585096778	570923462	/nfs/dbraw/zinc/92/34/62/570923462.db2.gz	ADQPVVUWRHLUTM-AWEZNQCLSA-N	-1	3	384.436	1.207	40	0		GDABHM
C[C@@H]1CN(CC(=O)N2CCC[C@@H]2c2nc(-c3ccncc3)cc(=O)[n-]2)C[C@H](C)O1	ZINC000019497418	570926260	/nfs/dbraw/zinc/92/62/60/570926260.db2.gz	RMAVHMJFOYPHLU-RVKKMQEKSA-N	-1	3	397.479	1.605	40	0		GDABHM
Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)CC[C@@H]3NC(=O)[N-]C3=O)CC1)O2	ZINC000019218168	570962350	/nfs/dbraw/zinc/96/23/50/570962350.db2.gz	QKFSKXLNFCTEFV-AWEZNQCLSA-N	-1	3	385.420	1.310	40	0		GDABHM
Cc1nc2c(nnn2C[C@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)c(=O)[n-]1	ZINC000019286494	570969685	/nfs/dbraw/zinc/96/96/85/570969685.db2.gz	RTGTVXNPLZZIFF-CQSZACIVSA-N	-1	3	386.843	1.710	40	0		GDABHM
C[C@@H](NC(=O)Cc1ccc2c(c1)OCO2)c1cc(=O)[n-]c(-c2cccnc2)n1	ZINC000019458443	570987939	/nfs/dbraw/zinc/98/79/39/570987939.db2.gz	ALMHAFARYQSRLV-GFCCVEGCSA-N	-1	3	378.388	1.981	40	0		GDABHM
CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1cccnc1)C2	ZINC000019498838	570991673	/nfs/dbraw/zinc/99/16/73/570991673.db2.gz	NYWSVFKONIAUGE-KRWDZBQOSA-N	-1	3	395.463	1.827	40	0		GDABHM
COc1cc(CN2CCN(C(=O)c3cncc([O-])c3)CC2)cc(OC)c1OC	ZINC000019549818	571000385	/nfs/dbraw/zinc/00/03/85/571000385.db2.gz	MPZWNILRGQXCCF-UHFFFAOYSA-N	-1	3	387.436	1.771	40	0		GDABHM
COc1ccc(CN2CCc3nc(-c4cnccn4)[n-]c(=O)c3C2)c(OC)c1	ZINC000019552469	571001360	/nfs/dbraw/zinc/00/13/60/571001360.db2.gz	BPVXTINCTDFDSJ-UHFFFAOYSA-N	-1	3	379.420	1.802	40	0		GDABHM
Cc1cc(C)n(CCC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)n1	ZINC000019573862	571011317	/nfs/dbraw/zinc/01/13/17/571011317.db2.gz	ZOOAETJMLQDRNC-MRXNPFEDSA-N	-1	3	398.511	1.780	40	0		GDABHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCO)c(C)c2)cc1	ZINC000409378010	231197378	/nfs/dbraw/zinc/19/73/78/231197378.db2.gz	LMXLKXXIZRNWDR-UHFFFAOYSA-N	-1	3	378.450	1.592	40	0		GDABHM
COCCC(=O)N1CCC(c2nc([C@H]3CCCN(C(C)=O)C3)cc(=O)[n-]2)CC1	ZINC000019016996	221393586	/nfs/dbraw/zinc/39/35/86/221393586.db2.gz	QYYIZXHELCLFNN-INIZCTEOSA-N	-1	3	390.484	1.651	40	0		GDABHM
COCC(=O)N1CCC(c2nc([C@@H]3CCCN(C(C)=O)C3)cc(=O)[n-]2)CC1	ZINC000019016998	221394432	/nfs/dbraw/zinc/39/44/32/221394432.db2.gz	AQKAVCUPHUNKPZ-OAHLLOKOSA-N	-1	3	376.457	1.261	40	0		GDABHM
C[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)c1cc(=O)[n-]c(N2CCCC2)n1	ZINC000019458328	221414726	/nfs/dbraw/zinc/41/47/26/221414726.db2.gz	PECMTWCIJUVTBC-CYBMUJFWSA-N	-1	3	384.436	1.561	40	0		GDABHM
CCCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(N(C)C)cc1	ZINC000071980396	222203515	/nfs/dbraw/zinc/20/35/15/222203515.db2.gz	CNTGXSOPWNPJJI-QGZVFWFLSA-N	-1	3	375.469	1.880	40	0		GDABHM
Cc1csc([N-]c2cncc(C3CCN(S(=O)(=O)N(C)C)CC3)n2)n1	ZINC000257296114	518192091	/nfs/dbraw/zinc/19/20/91/518192091.db2.gz	RBIBVGLHYFYFCR-UHFFFAOYSA-N	-1	3	382.515	1.971	40	0		GDABHM
Cc1ccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2[N-]C(=O)C(Cl)(Cl)Cl)cc1	ZINC000575420001	570307441	/nfs/dbraw/zinc/30/74/41/570307441.db2.gz	CZPLJPSEANCBIJ-NEPJUHHUSA-N	-1	3	399.727	1.737	40	0		GDABHM
O=C(NC[C@@H]1CCC2(CN(C(=O)c3cccc([O-])c3)C2)OC1)c1ccncc1	ZINC000575404133	570520501	/nfs/dbraw/zinc/52/05/01/570520501.db2.gz	MLPOFPDDEUEUQB-HNNXBMFYSA-N	-1	3	381.432	1.838	40	0		GDABHM
Cc1nc(Cl)cc(N2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[n-]c3=O)C2)n1	ZINC000045369911	570647034	/nfs/dbraw/zinc/64/70/34/570647034.db2.gz	DXHJKOYVDXNOFU-GHMZBOCLSA-N	-1	3	390.875	1.698	40	0		GDABHM
O=C(CN1CCc2nc(N3CCCCC3)[n-]c(=O)c2C1)NCc1cccs1	ZINC000019343727	570977316	/nfs/dbraw/zinc/97/73/16/570977316.db2.gz	DLNVYEJUTQJUAK-UHFFFAOYSA-N	-1	3	387.509	1.496	40	0		GDABHM
C[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1cc(=O)[n-]c(N2CCC(C)CC2)n1	ZINC000019497002	570989987	/nfs/dbraw/zinc/98/99/87/570989987.db2.gz	CYXVGKMOXHSRFX-UONOGXRCSA-N	-1	3	396.513	1.008	40	0		GDABHM
CCn1cc(CN2CCC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)c(C)n1	ZINC000019524539	570996363	/nfs/dbraw/zinc/99/63/63/570996363.db2.gz	RCKQSNQOKPZROV-INIZCTEOSA-N	-1	3	386.500	1.511	40	0		GDABHM
Cc1noc(C)c1CC(=O)N1CC[C@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1	ZINC000019580310	571012923	/nfs/dbraw/zinc/01/29/23/571012923.db2.gz	CHCOWIQYPAQMME-HNNXBMFYSA-N	-1	3	379.420	1.995	40	0		GDABHM
CN1CCc2nc([C@H]3CCCN(C(=O)c4ccc5c(c4)OCO5)C3)[n-]c(=O)c2C1	ZINC000019590272	571017463	/nfs/dbraw/zinc/01/74/63/571017463.db2.gz	XDYQEBRWGYAEHU-AWEZNQCLSA-N	-1	3	396.447	1.919	40	0		GDABHM
Cc1cc(C(=O)NCC(C)(C)c2ccc(F)cc2)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000019716344	571038175	/nfs/dbraw/zinc/03/81/75/571038175.db2.gz	QAEWIGDPAXSRLK-UHFFFAOYSA-N	-1	3	384.411	1.777	40	0		GDABHM
CNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC	ZINC000020009299	530569402	/nfs/dbraw/zinc/56/94/02/530569402.db2.gz	BREBFSDUVRNHGI-AWEZNQCLSA-N	-1	3	382.869	1.984	40	0		GDABHM
Cc1nc([C@@H]2CN(S(=O)(=O)N(C)C)C[C@H]2c2ccccc2F)cc(=O)[n-]1	ZINC000012337956	221183940	/nfs/dbraw/zinc/18/39/40/221183940.db2.gz	CGPDMMHGJWCDRQ-UONOGXRCSA-N	-1	3	380.445	1.619	40	0		GDABHM
CCn1c2cc(Cl)c(S(=O)(=O)[N-][C@H]3CN4CCC3CC4)cc2oc1=O	ZINC000012362085	221184912	/nfs/dbraw/zinc/18/49/12/221184912.db2.gz	UTMBHNKJNJQVFP-LBPRGKRZSA-N	-1	3	385.873	1.640	40	0		GDABHM
CC(=O)N1CCN(c2nc([C@H]3CC(=O)N(c4ccc(F)cc4)C3)cc(=O)[n-]2)CC1	ZINC000019017873	221394163	/nfs/dbraw/zinc/39/41/63/221394163.db2.gz	BSSSOZYCFOZDKP-AWEZNQCLSA-N	-1	3	399.426	1.510	40	0		GDABHM
CC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCN(C(=O)Cc4ccccc4)C3)nc2C1	ZINC000019019109	221395084	/nfs/dbraw/zinc/39/50/84/221395084.db2.gz	MQCXGJPVWASIGH-MRXNPFEDSA-N	-1	3	380.448	1.233	40	0		GDABHM
COc1ccccc1N1C[C@H](c2cc(=O)[n-]c(NC3CCOCC3)n2)CC1=O	ZINC000019571064	221429634	/nfs/dbraw/zinc/42/96/34/221429634.db2.gz	NZCOEPUMKGUJNZ-CYBMUJFWSA-N	-1	3	384.436	1.890	40	0		GDABHM
CCCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)Cc1ccc(OC)cc1	ZINC000071980313	222202974	/nfs/dbraw/zinc/20/29/74/222202974.db2.gz	LVEBSNZHBLCXSP-KRWDZBQOSA-N	-1	3	376.453	1.752	40	0		GDABHM
CCCC(=O)N1CCc2nc([C@@H]3CCCN3CC3=CCCOC3)[n-]c(=O)c2C1	ZINC000072398801	222253627	/nfs/dbraw/zinc/25/36/27/222253627.db2.gz	CIPUZDBEFJCCHH-SFHVURJKSA-N	-1	3	386.496	1.938	40	0		GDABHM
COc1ccc([C@@H]2CCCN2C(=O)C[N-]S(=O)(=O)c2c(C)noc2C)cc1	ZINC000019718695	570209889	/nfs/dbraw/zinc/20/98/89/570209889.db2.gz	DNSPXBYBMLSLNA-INIZCTEOSA-N	-1	3	393.465	1.942	40	0		GDABHM
CCc1cc(=O)[n-]c(NC2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)n1	ZINC000012113702	570609672	/nfs/dbraw/zinc/60/96/72/570609672.db2.gz	XPXVYRKSHCAMMN-UHFFFAOYSA-N	-1	3	399.451	1.576	40	0		GDABHM
CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](CC(C)C)C(=O)[O-])CC1	ZINC000100772883	570710562	/nfs/dbraw/zinc/71/05/62/570710562.db2.gz	ZVQIFFJMQKOYTJ-SIRPWMCASA-N	-1	3	383.533	1.898	40	0		GDABHM
O=C1CCCN1C[C@H]1CC[C@]2(COCCN(Cc3ccc([O-])c(F)c3)C2)O1	ZINC000247955048	570717799	/nfs/dbraw/zinc/71/77/99/570717799.db2.gz	MWJKLYPNVXJXSM-UZLBHIALSA-N	-1	3	378.444	1.904	40	0		GDABHM
CC(C)(C)OC(=O)CC[C@H](NC(=O)OC(C)(C)C)C1(NCC(=O)[O-])COC1	ZINC000306145545	570946982	/nfs/dbraw/zinc/94/69/82/570946982.db2.gz	IEUZJAFFCGYDHM-LBPRGKRZSA-N	-1	3	388.461	1.445	40	0		GDABHM
CC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3cnc(C)cn3)[n-]c2=O)C1	ZINC000019238920	570968369	/nfs/dbraw/zinc/96/83/69/570968369.db2.gz	CJCGFWKGNNIZCN-KRWDZBQOSA-N	-1	3	396.451	1.140	40	0		GDABHM
Cc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)N1C(=O)CCn1c2ccccc2oc1=O	ZINC000019286317	570969618	/nfs/dbraw/zinc/96/96/18/570969618.db2.gz	KZKIXPZYQYCWGB-KGLIPLIRSA-N	-1	3	394.431	1.535	40	0		GDABHM
C[C@@]1(CCC(=O)N2CCC[C@H](COc3ccccc3F)C2)NC(=O)[N-]C1=O	ZINC000019460270	570988352	/nfs/dbraw/zinc/98/83/52/570988352.db2.gz	BTVKOYITKRAWJV-DJJJIMSYSA-N	-1	3	377.416	1.821	40	0		GDABHM
COc1ccc([C@H](NC(=O)c2cc(C)nc3c2c(=O)[n-]c(=O)n3C)C2CC2)cc1	ZINC000019716376	571038185	/nfs/dbraw/zinc/03/81/85/571038185.db2.gz	FRFLJVMMOGXTCH-QGZVFWFLSA-N	-1	3	394.431	1.820	40	0		GDABHM
CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(I)c1[O-]	ZINC000006958914	530543874	/nfs/dbraw/zinc/54/38/74/530543874.db2.gz	PRGGUIWNYRLQJA-WEVVVXLNSA-N	-1	3	388.161	1.918	40	0		GDABHM
C[C@H]1CN(c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccccc2F)C3)C[C@H](C)O1	ZINC000072346952	136168830	/nfs/dbraw/zinc/16/88/30/136168830.db2.gz	FVGLROQEOLWOGI-STQMWFEESA-N	-1	3	386.427	1.721	40	0		GDABHM
COc1cc(C(=O)N2[C@H](C(=O)[O-])COC23CCN(C)CC3)cc(OC)c1OC	ZINC000071979999	222202750	/nfs/dbraw/zinc/20/27/50/222202750.db2.gz	WRMXULWRWHVUHX-ZDUSSCGKSA-N	-1	3	394.424	1.060	40	0		GDABHM
CCCC(=O)N1CCc2nc([C@H]3CCCN3CC3=CCCOC3)[n-]c(=O)c2C1	ZINC000072398802	222254239	/nfs/dbraw/zinc/25/42/39/222254239.db2.gz	CIPUZDBEFJCCHH-GOSISDBHSA-N	-1	3	386.496	1.938	40	0		GDABHM
CC(C)(C)CC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CCN2CCC[C@H]2C(N)=O)C1	ZINC000020462991	560093061	/nfs/dbraw/zinc/09/30/61/560093061.db2.gz	LNZYJBUBAGQVEK-JYJNAYRXSA-N	-1	3	381.517	1.702	40	0	biogenic,in-vitro	GDABHM
NC(=O)[C@@H]1CCCN1CC[C@H]1CN(C(=O)C2CCCCC2)CC[C@H]1CC(=O)[O-]	ZINC000020463014	560093067	/nfs/dbraw/zinc/09/30/67/560093067.db2.gz	QCJQFSVPUPNRRJ-BZSNNMDCSA-N	-1	3	393.528	1.846	40	0	biogenic,in-vitro	GDABHM
COC(=O)c1cc([N-]C(=O)c2cc(N3CCOCC3)on2)cc(C(=O)OC)c1	ZINC000224081279	570497739	/nfs/dbraw/zinc/49/77/39/570497739.db2.gz	FREPOOVUODSZRU-UHFFFAOYSA-N	-1	3	389.364	1.337	40	0		GDABHM
COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)cc1	ZINC000038828307	570583763	/nfs/dbraw/zinc/58/37/63/570583763.db2.gz	NAKRPCRPQHZBDM-ZDUSSCGKSA-N	-1	3	383.408	1.443	40	0		GDABHM
COc1cccc(NC(=O)CN2CCC(Nc3nc(C)c(C)c(=O)[n-]3)CC2)c1	ZINC000012113673	570609795	/nfs/dbraw/zinc/60/97/95/570609795.db2.gz	FNSWLGGKHYTAJE-UHFFFAOYSA-N	-1	3	385.468	1.910	40	0		GDABHM
C[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1cc(=O)[n-]c(N2CCC(C)CC2)n1	ZINC000019497001	570989915	/nfs/dbraw/zinc/98/99/15/570989915.db2.gz	CYXVGKMOXHSRFX-ZIAGYGMSSA-N	-1	3	396.513	1.008	40	0		GDABHM
CCC(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccccc2F)C3)C1	ZINC000019498505	570990982	/nfs/dbraw/zinc/99/09/82/570990982.db2.gz	NUIOGIIMGAMKBG-ZDUSSCGKSA-N	-1	3	398.438	1.833	40	0		GDABHM
COc1ccc(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)c(OC)c1	ZINC000019552490	571001597	/nfs/dbraw/zinc/00/15/97/571001597.db2.gz	JSKZUMVOZNQOGQ-UHFFFAOYSA-N	-1	3	384.480	1.988	40	0		GDABHM
COCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2	ZINC000019593162	571019668	/nfs/dbraw/zinc/01/96/68/571019668.db2.gz	YTWYPJANMWCXMD-MRXNPFEDSA-N	-1	3	388.468	1.155	40	0		GDABHM
COCc1cc(=O)[n-]c([C@@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)n1	ZINC000019594284	571020385	/nfs/dbraw/zinc/02/03/85/571020385.db2.gz	GTOJISQXPNVUNU-CQSZACIVSA-N	-1	3	385.420	1.594	40	0		GDABHM
CC(=O)Nc1ccc(CN2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1	ZINC000019022499	221394835	/nfs/dbraw/zinc/39/48/35/221394835.db2.gz	NGKBIFISKWRJSY-UHFFFAOYSA-N	-1	3	397.479	1.578	40	0		GDABHM
O=C([O-])[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cccnc1	ZINC000071980657	222203409	/nfs/dbraw/zinc/20/34/09/222203409.db2.gz	DXIVEGFBAGFAJC-GOSISDBHSA-N	-1	3	381.432	2.000	40	0		GDABHM
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1	ZINC000000810900	525224457	/nfs/dbraw/zinc/22/44/57/525224457.db2.gz	FOZLRVLYECRRMR-UHFFFAOYSA-N	-1	3	395.506	1.569	40	0		GDABHM
CC(=O)Nc1ccc(C(=O)N2CCC[C@@]3(Cc4c([nH]c(=O)[n-]c4=O)O3)CC2)cc1	ZINC000257269506	570772867	/nfs/dbraw/zinc/77/28/67/570772867.db2.gz	MQHGWXHVAVJHTJ-FQEVSTJZSA-N	-1	3	398.419	1.846	40	0		GDABHM
CC(=O)N1CCN([C@@H]2CCCC[C@@H](NC(=O)c3ccc(C)cc3[O-])[C@H]2O)CC1	ZINC000257306729	570778894	/nfs/dbraw/zinc/77/88/94/570778894.db2.gz	SVOLBFHQRBXZCD-QWFCFKBJSA-N	-1	3	389.496	1.267	40	0		GDABHM
Cn1nc(C(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(=O)[n-]3)C2)ccc1=O	ZINC000019288497	570970617	/nfs/dbraw/zinc/97/06/17/570970617.db2.gz	QVBKAHDKKPEICZ-LBPRGKRZSA-N	-1	3	397.460	1.612	40	0		GDABHM
C[C@H](NC(=O)C1(c2ccccc2F)CC1)c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000019458365	570988133	/nfs/dbraw/zinc/98/81/33/570988133.db2.gz	NQMYZKRYTRMINT-AWEZNQCLSA-N	-1	3	399.470	1.570	40	0		GDABHM
COCc1cc(=O)[n-]c([C@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)n1	ZINC000019594286	571020407	/nfs/dbraw/zinc/02/04/07/571020407.db2.gz	GTOJISQXPNVUNU-AWEZNQCLSA-N	-1	3	385.420	1.594	40	0		GDABHM
CN(C)S(=O)(=O)c1ccc(OCC[N-]S(=O)(=O)c2cccs2)cc1	ZINC000224264252	531029288	/nfs/dbraw/zinc/02/92/88/531029288.db2.gz	QZKKAOMZDRNSBK-UHFFFAOYSA-N	-1	3	390.508	1.356	40	0		GDABHM
Cc1ncsc1C(=O)N1CC[C@@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1	ZINC000012367237	221184978	/nfs/dbraw/zinc/18/49/78/221184978.db2.gz	XQQADLJIEDMBQJ-GFCCVEGCSA-N	-1	3	375.454	1.413	40	0		GDABHM
O=C(N[C@@H]1CN(C(=O)NCc2ccccc2)CCC[C@H]1O)c1ccc([O-])cc1	ZINC000015672215	221339352	/nfs/dbraw/zinc/33/93/52/221339352.db2.gz	VVDBFLAYNJLOGJ-RTBURBONSA-N	-1	3	383.448	1.857	40	0	biogenic,in-vitro	GDABHM
CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2	ZINC000072399108	222254050	/nfs/dbraw/zinc/25/40/50/222254050.db2.gz	UVSAZNRPKRCASQ-QGZVFWFLSA-N	-1	3	395.463	1.827	40	0		GDABHM
CS(=O)(=O)[N-][C@H]1CO[C@@H]2[C@H](OC(=O)Nc3cccc4ccccc43)CO[C@H]12	ZINC000004235451	560197565	/nfs/dbraw/zinc/19/75/65/560197565.db2.gz	HOPJOHORZWYYSB-YLFCFFPRSA-N	-1	3	392.433	1.472	40	0	biogenic,in-vitro	GDABHM
CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCOCC3)[n-]c(=O)c21	ZINC000020800169	570281270	/nfs/dbraw/zinc/28/12/70/570281270.db2.gz	LESSWYFQJDLIFB-CYBMUJFWSA-N	-1	3	397.435	1.233	40	0		GDABHM
O=C(NC1CC(F)(F)C1)[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21	ZINC000575405895	570521946	/nfs/dbraw/zinc/52/19/46/570521946.db2.gz	USRXFJKDMATCDU-OAHLLOKOSA-N	-1	3	376.363	1.700	40	0		GDABHM
COCc1nn2c(nnc3c2ccn([N-]C(N)=O)c3=O)c1-c1ccc(F)cc1	ZINC000040392273	570600125	/nfs/dbraw/zinc/60/01/25/570600125.db2.gz	OIUBDRVAKSBSFL-UHFFFAOYSA-N	-1	3	383.343	1.014	40	0		GDABHM
Cc1nc(N2CCC[C@H](NC(=O)C[C@@H]3NC(=O)c4ccccc43)C2)[n-]c(=O)c1C	ZINC000257256072	570895076	/nfs/dbraw/zinc/89/50/76/570895076.db2.gz	KJYVTNWSPYSMKB-YOEHRIQHSA-N	-1	3	395.463	1.759	40	0		GDABHM
COc1ccc(S(=O)(=O)NCc2cc(=O)[n-]c(N3CCCC3)n2)cc1C	ZINC000019571460	570927741	/nfs/dbraw/zinc/92/77/41/570927741.db2.gz	IIMDCSADGIAJOK-UHFFFAOYSA-N	-1	3	378.454	1.166	40	0		GDABHM
COc1ncccc1-c1cc(=O)[n-]c([C@@H]2CCN(C(=O)c3ccncc3)C2)n1	ZINC000019594698	571020229	/nfs/dbraw/zinc/02/02/29/571020229.db2.gz	YJXLTHDNAAFZAL-CQSZACIVSA-N	-1	3	377.404	1.865	40	0		GDABHM
COc1nn(Cc2cc(=O)[n-]c(NC[C@@H]3CCCOC3)n2)c(=O)c2ccccc21	ZINC000019717478	571040248	/nfs/dbraw/zinc/04/02/48/571040248.db2.gz	CRJJRFHRJHREGH-ZDUSSCGKSA-N	-1	3	397.435	1.375	40	0		GDABHM
Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)Nc1ccc2c(c1)N(C)CCC2	ZINC000019718199	571041181	/nfs/dbraw/zinc/04/11/81/571041181.db2.gz	ATGRAASMOYRTGS-UHFFFAOYSA-N	-1	3	392.481	1.981	40	0		GDABHM
COCCC[N-]S(=O)(=O)c1cc(I)ccc1OC	ZINC000096305716	530818341	/nfs/dbraw/zinc/81/83/41/530818341.db2.gz	RCYFHJSHECSSTQ-UHFFFAOYSA-N	-1	3	385.223	1.615	40	0		GDABHM
O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]Cc3ccc4c(c3)OCO4)cc2o1	ZINC000223328986	531028972	/nfs/dbraw/zinc/02/89/72/531028972.db2.gz	UFHHMOFXZZIIDO-UHFFFAOYSA-N	-1	3	382.781	1.982	40	0		GDABHM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)ccc1OC	ZINC000010008826	221095281	/nfs/dbraw/zinc/09/52/81/221095281.db2.gz	QOPWJMBGLUNLHY-UHFFFAOYSA-N	-1	3	377.422	1.814	40	0		GDABHM
COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CC[C@H]2NC(=O)[N-]C2=O)cc1	ZINC000012145689	221158411	/nfs/dbraw/zinc/15/84/11/221158411.db2.gz	NGGPBLAMQVDYSX-JKSUJKDBSA-N	-1	3	397.435	1.363	40	0		GDABHM
COc1ccc(-c2nnc(SCC(=O)[N-]C3=NCCS3)n2C)cc1OC	ZINC000013999715	221295386	/nfs/dbraw/zinc/29/53/86/221295386.db2.gz	PGXMXCTUNQYHLM-UHFFFAOYSA-N	-1	3	393.494	1.810	40	0		GDABHM
O=C([C@@H]1C[C@H]2C=C[C@@H]1O2)N1C[C@@H]2c3nc(N4CCCC4)[n-]c(=O)c3CC[C@@H]2C1	ZINC000072336099	222229711	/nfs/dbraw/zinc/22/97/11/222229711.db2.gz	ZCMXVBBQESUFSH-ZLVKTETGSA-N	-1	3	382.464	1.202	40	0		GDABHM
CO[C@H]1CCC[C@@H](C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)C1	ZINC000072398717	222253908	/nfs/dbraw/zinc/25/39/08/222253908.db2.gz	XEVRRHKSVUXLER-PMPSAXMXSA-N	-1	3	388.512	1.669	40	0		GDABHM
O=C([O-])CN1CCCC[C@@H](N2CCC(C(=O)Nc3ccc(F)cc3)CC2)C1=O	ZINC000643874563	570671643	/nfs/dbraw/zinc/67/16/43/570671643.db2.gz	YXXPNLKVRVRSIE-QGZVFWFLSA-N	-1	3	391.443	1.942	40	0		GDABHM
Cn1cnnc1SCc1cc(=O)[n-]c(N2CCN(c3ccccc3)CC2)n1	ZINC000020414473	570946511	/nfs/dbraw/zinc/94/65/11/570946511.db2.gz	RAQSQUMERYJDDW-UHFFFAOYSA-N	-1	3	383.481	1.517	40	0		GDABHM
Cc1ccnn1[C@@H](C)C(=O)N1CC[C@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1	ZINC000019238239	570967916	/nfs/dbraw/zinc/96/79/16/570967916.db2.gz	NGIBBKIURZGARG-HOCLYGCPSA-N	-1	3	378.436	1.914	40	0		GDABHM
CC(=O)N1CCc2c(nc([C@H]3CCN(C(=O)[C@@H](C)c4ccccc4)C3)[n-]c2=O)C1	ZINC000019459008	570988178	/nfs/dbraw/zinc/98/81/78/570988178.db2.gz	QORMCIHKJLREAM-YOEHRIQHSA-N	-1	3	394.475	1.794	40	0		GDABHM
CCc1cc(=O)[n-]c([C@@H]2CCCN(C(=O)COc3ccc4c(c3)OCO4)C2)n1	ZINC000019522478	570995367	/nfs/dbraw/zinc/99/53/67/570995367.db2.gz	CGQFQLIWNMTQIQ-CYBMUJFWSA-N	-1	3	385.420	1.846	40	0		GDABHM
COc1ccc2oc(C(=O)NCc3cc(=O)[n-]c(N4CCOCC4)n3)cc2c1	ZINC000019563617	571006419	/nfs/dbraw/zinc/00/64/19/571006419.db2.gz	HXIOEQSMNRWWPB-UHFFFAOYSA-N	-1	3	384.392	1.291	40	0		GDABHM
COCCc1ncc(CN2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cn1	ZINC000019593838	571020530	/nfs/dbraw/zinc/02/05/30/571020530.db2.gz	GMHWACHYPUZTDH-KRWDZBQOSA-N	-1	3	392.463	1.800	40	0		GDABHM
CCN(CC)c1nc(N(CC)CC)[n-]c(=NNS(=O)(=O)c2ccccc2)n1	ZINC000005807685	220900409	/nfs/dbraw/zinc/90/04/09/220900409.db2.gz	LODUMRBHBVCBNY-UHFFFAOYSA-N	-1	3	393.517	1.869	40	0		GDABHM
O=C(C1CC1)N1CCc2nc([C@H]3CCCN(C(=O)C4CCC4)C3)[n-]c(=O)c2C1	ZINC000019014459	221394112	/nfs/dbraw/zinc/39/41/12/221394112.db2.gz	JEEQANROAWXRDG-HNNXBMFYSA-N	-1	3	384.480	1.571	40	0		GDABHM
CSCC[C@H](NC(=O)c1ccnn1C)c1cc(=O)[n-]c(-c2cccnc2)n1	ZINC000019289185	221404811	/nfs/dbraw/zinc/40/48/11/221404811.db2.gz	QMIHUYOLQYDEMU-ZDUSSCGKSA-N	-1	3	384.465	1.790	40	0		GDABHM
CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000004899773	570416498	/nfs/dbraw/zinc/41/64/98/570416498.db2.gz	UBZGNBKMIJHOHL-BZSNNMDCSA-N	-1	3	391.512	1.703	40	0		GDABHM
O=C(NCC[C@@H]1CCOC12CN(C(=O)c1cccc([O-])c1)C2)c1cccnc1	ZINC000575403053	570519511	/nfs/dbraw/zinc/51/95/11/570519511.db2.gz	IAUNQNJUVOEXLX-QGZVFWFLSA-N	-1	3	381.432	1.838	40	0		GDABHM
CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)cc1	ZINC000038828321	570583755	/nfs/dbraw/zinc/58/37/55/570583755.db2.gz	UBZWUYHRUWOJQO-AWEZNQCLSA-N	-1	3	397.435	1.833	40	0		GDABHM
CN(C)c1nc([C@@H]2CCN(C(=O)c3cc4ccccc4c(=O)[nH]3)C2)cc(=O)[n-]1	ZINC000012406487	570654019	/nfs/dbraw/zinc/65/40/19/570654019.db2.gz	PPRGGNWSXIBOTC-CYBMUJFWSA-N	-1	3	379.420	1.719	40	0		GDABHM
Cc1cc(N2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[n-]c3=O)C2)nc(Cl)n1	ZINC000230034645	570962175	/nfs/dbraw/zinc/96/21/75/570962175.db2.gz	MMYMKRNDJVZMOS-RYUDHWBXSA-N	-1	3	390.875	1.698	40	0		GDABHM
C[C@@H](OC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)C(=O)N[C@@H]1CCCC[C@H]1C	ZINC000004278293	570969479	/nfs/dbraw/zinc/96/94/79/570969479.db2.gz	CARCXFQVBQZZNB-XJKCOSOUSA-N	-1	3	387.436	1.316	40	0		GDABHM
O=C(Cn1cncn1)N[C@H](Cc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(F)cc1	ZINC000019332461	570975576	/nfs/dbraw/zinc/97/55/76/570975576.db2.gz	OTKBIBNALYEQRU-QGZVFWFLSA-N	-1	3	396.426	1.868	40	0		GDABHM
CS(=O)(=O)[N-]c1ccc(C(=O)NCCCN2CCOCC2)cc1Cl	ZINC000020046954	530568990	/nfs/dbraw/zinc/56/89/90/530568990.db2.gz	VRWGEWVNSSQACQ-UHFFFAOYSA-N	-1	3	375.878	1.164	40	0		GDABHM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCC(C)CC2)s1	ZINC000222977030	531028452	/nfs/dbraw/zinc/02/84/52/531028452.db2.gz	UZHGEDPPAWCQFN-UHFFFAOYSA-N	-1	3	375.520	1.287	40	0		GDABHM
COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CC[C@@H]2NC(=O)[N-]C2=O)cc1	ZINC000012145687	221158870	/nfs/dbraw/zinc/15/88/70/221158870.db2.gz	NGGPBLAMQVDYSX-HOTGVXAUSA-N	-1	3	397.435	1.363	40	0		GDABHM
CN(C)c1nc([C@H]2CCN(C(=O)CN3Cc4ccccc4C3=O)C2)cc(=O)[n-]1	ZINC000012367380	221185330	/nfs/dbraw/zinc/18/53/30/221185330.db2.gz	FMUMGFHPEHGZQY-AWEZNQCLSA-N	-1	3	381.436	1.220	40	0		GDABHM
Cc1cc(N2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[n-]c3=O)C2)nc(Cl)n1	ZINC000057731255	136154035	/nfs/dbraw/zinc/15/40/35/136154035.db2.gz	MMYMKRNDJVZMOS-VXGBXAGGSA-N	-1	3	390.875	1.698	40	0		GDABHM
CCc1ncc(CN2CCC(n3nnc4c3nc(C3CC3)[n-]c4=O)CC2)cn1	ZINC000072337262	222230768	/nfs/dbraw/zinc/23/07/68/222230768.db2.gz	LJULRPNMORCFOU-UHFFFAOYSA-N	-1	3	380.456	1.994	40	0		GDABHM
CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2	ZINC000072399109	222253387	/nfs/dbraw/zinc/25/33/87/222253387.db2.gz	UVSAZNRPKRCASQ-KRWDZBQOSA-N	-1	3	395.463	1.827	40	0		GDABHM
CS(=O)(=O)[N-]c1cc(-c2noc([C@@H]3CCCN3C3CCOCC3)n2)ccn1	ZINC000035425585	560081026	/nfs/dbraw/zinc/08/10/26/560081026.db2.gz	DPJMNTWGIQODLR-AWEZNQCLSA-N	-1	3	393.469	1.819	40	0	biogenic,in-vitro	GDABHM
COc1ccc(-n2c(=O)[nH]c(C(=O)[O-])c(CN3CCCCC3)c2=O)c(OC)c1	ZINC000222673638	570419849	/nfs/dbraw/zinc/41/98/49/570419849.db2.gz	LLKPKBSOVWBJDN-UHFFFAOYSA-N	-1	3	389.408	1.227	40	0		GDABHM
CC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)cc1	ZINC000038828329	570583742	/nfs/dbraw/zinc/58/37/42/570583742.db2.gz	MWPKOPGXICGVDM-AWEZNQCLSA-N	-1	3	395.419	1.637	40	0		GDABHM
CN(C)c1nc([C@H]2CCN(C(=O)c3cc4ccccc4c(=O)[nH]3)C2)cc(=O)[n-]1	ZINC000012406488	570653981	/nfs/dbraw/zinc/65/39/81/570653981.db2.gz	PPRGGNWSXIBOTC-ZDUSSCGKSA-N	-1	3	379.420	1.719	40	0		GDABHM
O=C(c1cccc([O-])c1)N1CC2(C1)[C@@H](COc1ccccn1)CCS2(=O)=O	ZINC000306132863	570940471	/nfs/dbraw/zinc/94/04/71/570940471.db2.gz	LUSLVVHPYBONPM-OAHLLOKOSA-N	-1	3	388.445	1.496	40	0		GDABHM
O=C1C[C@@H](c2cc(=O)[n-]c(NCCc3cnccn3)n2)CN1c1ccc(F)cc1	ZINC000019335302	570975891	/nfs/dbraw/zinc/97/58/91/570975891.db2.gz	KCVKVCTVUSVZSW-CYBMUJFWSA-N	-1	3	394.410	1.874	40	0		GDABHM
CC(=O)N1CCc2c(nc([C@@H]3CCN(C(=O)[C@H](C)c4ccccc4)C3)[n-]c2=O)C1	ZINC000019459002	570988165	/nfs/dbraw/zinc/98/81/65/570988165.db2.gz	QORMCIHKJLREAM-RHSMWYFYSA-N	-1	3	394.475	1.794	40	0		GDABHM
CCCC(=O)N1CCc2nc(C3CCN(C(=O)C4CCC4)CC3)[n-]c(=O)c2C1	ZINC000019501613	570992936	/nfs/dbraw/zinc/99/29/36/570992936.db2.gz	LTSKNLTZHZGTTA-UHFFFAOYSA-N	-1	3	386.496	1.961	40	0		GDABHM
COc1ncccc1-c1cc(=O)[n-]c([C@H]2CCCN2C(=O)c2cnccn2)n1	ZINC000019594674	571020253	/nfs/dbraw/zinc/02/02/53/571020253.db2.gz	DGDHVCPCUQLRFN-OAHLLOKOSA-N	-1	3	378.392	1.608	40	0		GDABHM
CC(C)Oc1cc(CCC(=O)N2CC[C@@H](c3cc(=O)[n-]c(N(C)C)n3)C2)on1	ZINC000012367492	221184569	/nfs/dbraw/zinc/18/45/69/221184569.db2.gz	JWVVEOZCCQVFIK-CYBMUJFWSA-N	-1	3	389.456	1.972	40	0		GDABHM
O=C(C1CC1)N1CCc2c(=O)[n-]c([C@@H]3CCN(C(=O)C4CCCC4)C3)nc2C1	ZINC000019014519	221394460	/nfs/dbraw/zinc/39/44/60/221394460.db2.gz	SPQFKEVQZMXHTH-OAHLLOKOSA-N	-1	3	384.480	1.983	40	0		GDABHM
Cc1ccc2[nH]c(C(=O)[O-])c(CN3CC[C@@]4(Cc5c(nc(N)nc5N)O4)C3)c2c1	ZINC000257300452	570777918	/nfs/dbraw/zinc/77/79/18/570777918.db2.gz	RUHSPWDWNLWMPS-HXUWFJFHSA-N	-1	3	394.435	1.709	40	0		GDABHM
O=c1[n-]c(N2CCOCC2)nc2c1CCN(Cc1ccc3ccccc3n1)C2	ZINC000019376334	570982491	/nfs/dbraw/zinc/98/24/91/570982491.db2.gz	YVJALZGMMQEUKD-UHFFFAOYSA-N	-1	3	377.448	1.713	40	0		GDABHM
CN1CCc2nc([C@@H]3CCCN(C(=O)c4ccc5c(c4)OCO5)C3)[n-]c(=O)c2C1	ZINC000019590270	571017204	/nfs/dbraw/zinc/01/72/04/571017204.db2.gz	XDYQEBRWGYAEHU-CQSZACIVSA-N	-1	3	396.447	1.919	40	0		GDABHM
COc1cc(CCC(=O)NC2CCN(c3nc(C)c(C)c(=O)[n-]3)CC2)on1	ZINC000012146195	221158825	/nfs/dbraw/zinc/15/88/25/221158825.db2.gz	BHPLSQHOXJCDRO-UHFFFAOYSA-N	-1	3	375.429	1.101	40	0		GDABHM
CN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cccc(Br)c1	ZINC000071980034	222203459	/nfs/dbraw/zinc/20/34/59/222203459.db2.gz	MCDUZUMCXFJCBI-CYBMUJFWSA-N	-1	3	383.242	1.797	40	0		GDABHM
C[C@@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000019458352	570988064	/nfs/dbraw/zinc/98/80/64/570988064.db2.gz	WEZUOGXASMYQBV-CQSZACIVSA-N	-1	3	399.470	1.570	40	0		GDABHM
C=Cn1cc(CN2CCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)=O)C3)c(C)n1	ZINC000019584217	571014585	/nfs/dbraw/zinc/01/45/85/571014585.db2.gz	QWGPIZXTQIGTFD-SFHVURJKSA-N	-1	3	382.468	1.617	40	0		GDABHM