smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)N[N-]C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000821334913	945671940	/nfs/dbraw/zinc/67/19/40/945671940.db2.gz	TUQVRISMSDEIIQ-UHFFFAOYSA-N	-2	3	312.236	0.536	20	50		DCGDHL
CCOC(=O)N[N-]C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000821334913	945671944	/nfs/dbraw/zinc/67/19/44/945671944.db2.gz	TUQVRISMSDEIIQ-UHFFFAOYSA-N	-2	3	312.236	0.536	20	50		DCGDHL
Cc1n[nH]cc1C(=O)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1	ZINC000822420022	946084733	/nfs/dbraw/zinc/08/47/33/946084733.db2.gz	YLNUVCPLCDSEKG-UHFFFAOYSA-N	-2	3	318.322	0.035	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)NCc2cccc(C(=O)[O-])c2)cn1	ZINC000821287807	955498759	/nfs/dbraw/zinc/49/87/59/955498759.db2.gz	UJXNYCSJYPRBER-UHFFFAOYSA-N	-2	3	317.305	0.263	20	50		DCGDHL
C[C@@H](NC(=O)N[N-]C(=O)c1cn[nH]c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC001589108816	956051907	/nfs/dbraw/zinc/05/19/07/956051907.db2.gz	MKPIRCWQIBQENV-FKTZTGRPSA-N	-2	3	323.353	0.489	20	50		DCGDHL
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-][N-]C(=O)NC(C)C	ZINC000268659027	962767082	/nfs/dbraw/zinc/76/70/82/962767082.db2.gz	WLKVFFKPVAJUEN-UHFFFAOYSA-N	-3	3	315.351	0.594	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)[C@@H](NC(=O)[O-])C(C)C)c([O-])c1	ZINC000738513340	978550297	/nfs/dbraw/zinc/55/02/97/978550297.db2.gz	KDJKBUPCNGEANC-NSHDSACASA-N	-2	3	309.322	0.754	20	50		DCGDHL
O=C([O-])CSCCNC(=O)NN=c1ccc(Cl)n[n-]1	ZINC000739862954	978657390	/nfs/dbraw/zinc/65/73/90/978657390.db2.gz	QESKPHRIDPXQNQ-UHFFFAOYSA-N	-2	3	305.747	0.574	20	50		DCGDHL
Cc1ccc(C(=O)[N-][N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)o1	ZINC000753085584	978693239	/nfs/dbraw/zinc/69/32/39/978693239.db2.gz	LXBKOEWZIFJAFR-UHFFFAOYSA-N	-3	3	324.314	0.910	20	50		DCGDHL
CC[C@H](C)C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000828700584	978987056	/nfs/dbraw/zinc/98/70/56/978987056.db2.gz	OOEYCVZALYZAAO-LURJTMIESA-N	-3	3	304.324	0.642	20	50		DCGDHL
C[C@](NCC(=O)N[N-]C(=O)c1cccs1)(C(=O)[O-])C1CC1	ZINC001593236397	994403941	/nfs/dbraw/zinc/40/39/41/994403941.db2.gz	DFXZSZNVKMBVQS-CYBMUJFWSA-N	-2	3	311.363	0.352	20	50		DCGDHL
Cc1ccc(C(=O)N[N-]C(=O)c2cnn(C)c2)cc1NC(=O)[O-]	ZINC000830225179	602960010	/nfs/dbraw/zinc/96/00/10/602960010.db2.gz	HQUXNBMVJTYYBW-UHFFFAOYSA-N	-2	3	317.305	0.893	20	50		DCGDHL
O=C([O-])N1CCC[C@H](C(=O)NNC(=O)c2ccccc2[O-])C1	ZINC000831736366	605193251	/nfs/dbraw/zinc/19/32/51/605193251.db2.gz	KJLDYTUTSHBTBO-VIFPVBQESA-N	-2	3	307.306	0.543	20	50		DCGDHL
O=C([N-]NC(=O)c1ccccc1)c1ccc(-c2nn[n-]n2)cn1	ZINC000738136052	945229229	/nfs/dbraw/zinc/22/92/29/945229229.db2.gz	DQZVHNGVPNKWTK-UHFFFAOYSA-N	-2	3	309.289	0.337	20	50		DCGDHL
O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccn1	ZINC000823277006	946393783	/nfs/dbraw/zinc/39/37/83/946393783.db2.gz	BKHZDOLZSRTVNU-UHFFFAOYSA-N	-2	3	315.318	0.398	20	50		DCGDHL
Cc1cc(C)n(CC(=O)N[N-]C(=O)c2ccc(C(=O)[O-])cn2)n1	ZINC001594298119	957882064	/nfs/dbraw/zinc/88/20/64/957882064.db2.gz	BGPALVLYBIEDNS-UHFFFAOYSA-N	-2	3	317.305	0.054	20	50		DCGDHL
C[C@H]1CN(CC(=O)N[N-]C(=O)c2cccs2)C[C@H]1C(=O)[O-]	ZINC000251727213	961257119	/nfs/dbraw/zinc/25/71/19/961257119.db2.gz	KEKJFPLZHFPCPX-DTWKUNHWSA-N	-2	3	311.363	0.162	20	50		DCGDHL
O=C([O-])C1(CNC(=O)NNC(=O)c2ccccc2[O-])CCC1	ZINC000851653749	969277233	/nfs/dbraw/zinc/27/72/33/969277233.db2.gz	ZRDYJWJPVADYMT-UHFFFAOYSA-N	-2	3	307.306	0.591	20	50		DCGDHL
O=C([O-])COc1cccc(CNC(=O)NN=c2cccn[n-]2)c1	ZINC000739833866	978656103	/nfs/dbraw/zinc/65/61/03/978656103.db2.gz	AQLZQHHUJBXCGQ-UHFFFAOYSA-N	-2	3	317.305	0.766	20	50		DCGDHL
O=C([O-])CSCCC(=O)N[N-]C(=O)c1ccccc1F	ZINC000739846798	978656558	/nfs/dbraw/zinc/65/65/58/978656558.db2.gz	QRYYLQXLZLMRRL-UHFFFAOYSA-N	-2	3	300.311	0.795	20	50		DCGDHL
CC(C)C(=O)[N-][N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000749143494	978688309	/nfs/dbraw/zinc/68/83/09/978688309.db2.gz	WQXPRARMYGFGAR-UHFFFAOYSA-N	-3	3	304.299	0.489	20	50		DCGDHL
CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)[C@@H](C)CC	ZINC001597785948	989308110	/nfs/dbraw/zinc/30/81/10/989308110.db2.gz	VRYVRGIOGKRJRG-ZETCQYMHSA-N	-3	3	318.351	0.896	20	50		DCGDHL
C[C@@H](OC(=O)/C(C#N)=C\c1ccc([O-])cc1)C(=O)NCC(=O)[O-]	ZINC000827802668	601589997	/nfs/dbraw/zinc/58/99/97/601589997.db2.gz	GVVCSNQKSGQUMI-NJQKBMNKSA-N	-2	3	318.285	0.432	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)[C@@H](C)CN(C)C(=O)[O-])c([O-])c1	ZINC000830225128	604217928	/nfs/dbraw/zinc/21/79/28/604217928.db2.gz	GBJWGTZJZARYIH-VIFPVBQESA-N	-2	3	309.322	0.708	20	50		DCGDHL
Cc1cnc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)cn1	ZINC000737444947	945071341	/nfs/dbraw/zinc/07/13/41/945071341.db2.gz	DEHYNYQQHIDMSZ-UHFFFAOYSA-N	-2	3	324.304	0.040	20	50		DCGDHL
Cc1cnc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)cn1	ZINC000737444947	945071351	/nfs/dbraw/zinc/07/13/51/945071351.db2.gz	DEHYNYQQHIDMSZ-UHFFFAOYSA-N	-2	3	324.304	0.040	20	50		DCGDHL
Cn1cccc1C(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1	ZINC000822690307	946157812	/nfs/dbraw/zinc/15/78/12/946157812.db2.gz	VYIOZZAGSSNVHU-UHFFFAOYSA-N	-2	3	317.334	0.342	20	50		DCGDHL
C=CCO[N-]C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C	ZINC001573347360	947575339	/nfs/dbraw/zinc/57/53/39/947575339.db2.gz	CSLXKWHXPKYSNZ-IZZDOVSWSA-N	-2	3	313.321	0.654	20	50		DCGDHL
C=CCO[N-]C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C	ZINC001573347360	947575348	/nfs/dbraw/zinc/57/53/48/947575348.db2.gz	CSLXKWHXPKYSNZ-IZZDOVSWSA-N	-2	3	313.321	0.654	20	50		DCGDHL
O=C([O-])CCNC(=O)N[N-]C(=O)c1cnn(-c2ccccc2)c1	ZINC000819492657	955449290	/nfs/dbraw/zinc/44/92/90/955449290.db2.gz	XMCKUFRTUUIKJE-UHFFFAOYSA-N	-2	3	317.305	0.291	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cn1	ZINC001594530375	955525009	/nfs/dbraw/zinc/52/50/09/955525009.db2.gz	POQKKXIPEXOVHJ-HYXAFXHYSA-N	-2	3	304.262	0.186	20	50		DCGDHL
O=C([O-])c1cccc(CNC(=O)N[N-]C(=O)c2cn[nH]c2)c1	ZINC001605800973	972516182	/nfs/dbraw/zinc/51/61/82/972516182.db2.gz	YPFPROHTIXOMTF-UHFFFAOYSA-N	-2	3	303.278	0.252	20	50		DCGDHL
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)N(C)C	ZINC000291881523	962903189	/nfs/dbraw/zinc/90/31/89/962903189.db2.gz	IOXKWFVXRQSLFJ-UHFFFAOYSA-N	-3	3	319.314	0.297	20	50		DCGDHL
CC(C)(CNC(=O)NNC(=O)c1ccccc1[O-])CC(=O)[O-]	ZINC001590726450	990517390	/nfs/dbraw/zinc/51/73/90/990517390.db2.gz	KCZOLYMJQBJKAC-UHFFFAOYSA-N	-2	3	309.322	0.837	20	50		DCGDHL
C[C@@](NCC(=O)N[N-]C(=O)c1cccs1)(C(=O)[O-])C1CC1	ZINC001593236398	994403643	/nfs/dbraw/zinc/40/36/43/994403643.db2.gz	DFXZSZNVKMBVQS-ZDUSSCGKSA-N	-2	3	311.363	0.352	20	50		DCGDHL
O=C([O-])N1CCC[C@H]1CC(=O)NNC(=O)c1ccccc1[O-]	ZINC000831340167	603435933	/nfs/dbraw/zinc/43/59/33/603435933.db2.gz	SHUKFASRTKLIEX-VIFPVBQESA-N	-2	3	307.306	0.686	20	50		DCGDHL
O=C([O-])N1CC[C@@](F)(C(=O)NNC(=O)c2ccccc2[O-])C1	ZINC000831736623	603821906	/nfs/dbraw/zinc/82/19/06/603821906.db2.gz	QGNOUGIOIQDMIW-ZDUSSCGKSA-N	-2	3	311.269	0.245	20	50		DCGDHL
O=C([O-])N1CC[C@](F)(C(=O)[N-]NC(=O)CC(F)(F)F)C1	ZINC000831292753	603853254	/nfs/dbraw/zinc/85/32/54/603853254.db2.gz	PHCYMBPFFNKLCP-MRVPVSSYSA-N	-2	3	301.196	0.178	20	50		DCGDHL
CC(C)COc1ncccc1C(=O)[N-]NC(=O)CNC(=O)[O-]	ZINC000833795956	605468295	/nfs/dbraw/zinc/46/82/95/605468295.db2.gz	BSXAVVOQZHGNEO-UHFFFAOYSA-N	-2	3	310.310	0.145	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@@H]1CSCN1C(=O)[O-]	ZINC000833909915	605926138	/nfs/dbraw/zinc/92/61/38/605926138.db2.gz	GGWNTKFLCJWKDR-QMMMGPOBSA-N	-2	3	310.335	0.204	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)CCC(C)(C)NC(=O)[O-]	ZINC000833911497	605927064	/nfs/dbraw/zinc/92/70/64/605927064.db2.gz	WIZAKOYYFLEWTL-UHFFFAOYSA-N	-2	3	308.338	0.977	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@H]1CCCN(C(=O)[O-])C1	ZINC000833911738	605927284	/nfs/dbraw/zinc/92/72/84/605927284.db2.gz	XVDJEZMPLARALJ-JTQLQIEISA-N	-2	3	306.322	0.541	20	50		DCGDHL
CCOC(=O)N[N-]C(=O)c1ncc(-c2nnn[n-]2)cc1Cl	ZINC000821334050	945672962	/nfs/dbraw/zinc/67/29/62/945672962.db2.gz	GNDQMHMMZKHWNB-UHFFFAOYSA-N	-2	3	311.689	0.306	20	50		DCGDHL
CCOC(=O)N[N-]C(=O)c1ncc(-c2nn[n-]n2)cc1Cl	ZINC000821334050	945672968	/nfs/dbraw/zinc/67/29/68/945672968.db2.gz	GNDQMHMMZKHWNB-UHFFFAOYSA-N	-2	3	311.689	0.306	20	50		DCGDHL
O=C([N-]NC(=O)NCC1CC1)c1cc(-c2nn[n-]n2)cs1	ZINC000823176677	946338497	/nfs/dbraw/zinc/33/84/97/946338497.db2.gz	WMYVCMRNFWMQAD-UHFFFAOYSA-N	-2	3	307.339	0.282	20	50		DCGDHL
O=C([N-]NC(=O)NC1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000823276964	946391263	/nfs/dbraw/zinc/39/12/63/946391263.db2.gz	AETZWKZOUDSJFX-UHFFFAOYSA-N	-2	3	323.263	0.251	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)[C@](C)(C#N)CC(=O)[O-])c([O-])c1	ZINC000821064102	955488070	/nfs/dbraw/zinc/48/80/70/955488070.db2.gz	SFPQPCFOFLLRTM-AWEZNQCLSA-N	-2	3	305.290	0.466	20	50		DCGDHL
O=C([O-])c1ccc(S(=O)(=O)[N-][N-]C(=O)C2CCC2)cc1F	ZINC000269106585	962772246	/nfs/dbraw/zinc/77/22/46/962772246.db2.gz	WDPDSKSBBSQYMO-UHFFFAOYSA-N	-3	3	316.310	0.634	20	50		DCGDHL
O=C([O-])c1ncccc1NC(=O)N[N-]C(=O)CC(F)(F)F	ZINC001605670181	974080742	/nfs/dbraw/zinc/08/07/42/974080742.db2.gz	YHBWWAPBLKPYRY-UHFFFAOYSA-N	-2	3	306.200	0.885	20	50		DCGDHL
O=C([O-])c1ccc(S(=O)(=O)[N-][N-]C(=O)C2CCC2)s1	ZINC000740177927	978671720	/nfs/dbraw/zinc/67/17/20/978671720.db2.gz	XBXMJCVNAODFOC-UHFFFAOYSA-N	-3	3	304.349	0.556	20	50		DCGDHL
CCC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl	ZINC000768497659	978738275	/nfs/dbraw/zinc/73/82/75/978738275.db2.gz	RFHDNMHHXRMVCJ-UHFFFAOYSA-N	-3	3	306.727	0.758	20	50		DCGDHL
C[C@H](OC(=O)/C(C#N)=C\c1ccc([O-])cc1)C(=O)NCC(=O)[O-]	ZINC000827802666	601589969	/nfs/dbraw/zinc/58/99/69/601589969.db2.gz	GVVCSNQKSGQUMI-ISAHRAOESA-N	-2	3	318.285	0.432	20	50		DCGDHL
C[C@@H](CC(=O)[O-])C(=O)N[N-]C(=O)c1cnn(-c2ccccc2)c1	ZINC000827303492	602161114	/nfs/dbraw/zinc/16/11/14/602161114.db2.gz	GAGWYQJUBROILL-JTQLQIEISA-N	-2	3	316.317	0.744	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000833911071	605926498	/nfs/dbraw/zinc/92/64/98/605926498.db2.gz	SJFZFFOUQRUOTK-ZJUUUORDSA-N	-2	3	306.322	0.587	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)[C@H]2CCCC[C@@]2(C)NC(=O)[O-])cn1	ZINC000833943813	606052044	/nfs/dbraw/zinc/05/20/44/606052044.db2.gz	PGMGEVDAMYRWAH-QMTHXVAHSA-N	-2	3	323.353	0.398	20	50		DCGDHL
C[C@@H](CNC(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000848588093	955758363	/nfs/dbraw/zinc/75/83/63/955758363.db2.gz	OPOPIYAPYWHCBM-ZETCQYMHSA-N	-2	3	310.266	0.260	20	50		DCGDHL
COCCN(CC(=O)[O-])C(=O)/C(C#N)=C\c1ccc([O-])cc1	ZINC001593997084	956904258	/nfs/dbraw/zinc/90/42/58/956904258.db2.gz	DWMGBYIJGGJGRR-WQLSENKSSA-N	-2	3	304.302	0.859	20	50		DCGDHL
Cc1n[nH]cc1C(=O)[N-]NC(=O)C=Cc1ccc(C(=O)[O-])o1	ZINC001594441909	959282825	/nfs/dbraw/zinc/28/28/25/959282825.db2.gz	CNKRUUODGPFKEL-HWKANZROSA-N	-2	3	304.262	0.484	20	50		DCGDHL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)C1CCC1	ZINC000266790728	962759462	/nfs/dbraw/zinc/75/94/62/962759462.db2.gz	PERXLWQRQFNEEI-UHFFFAOYSA-N	-3	3	302.308	0.396	20	50		DCGDHL
O=C([O-])c1cc(F)cc(S(=O)(=O)[N-][N-]C(=O)C2CCC2)c1	ZINC000267285580	962763044	/nfs/dbraw/zinc/76/30/44/962763044.db2.gz	WJHRGDLNUSNLEZ-UHFFFAOYSA-N	-3	3	316.310	0.634	20	50		DCGDHL
O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)c[nH]1	ZINC000299537408	962937091	/nfs/dbraw/zinc/93/70/91/962937091.db2.gz	AGIJGPLFDJDHLI-UHFFFAOYSA-N	-3	3	316.339	0.148	20	50		DCGDHL
O=C([O-])c1ccc(C(=O)NNC(=O)c2ccccc2[O-])cn1	ZINC001605815541	972543595	/nfs/dbraw/zinc/54/35/95/972543595.db2.gz	NMLYJCPEGQWUBJ-UHFFFAOYSA-N	-2	3	301.258	0.560	20	50		DCGDHL
O=C([O-])c1ccc(C(=O)[N-]NC(=O)CCc2ccco2)nc1	ZINC001605687245	974101533	/nfs/dbraw/zinc/10/15/33/974101533.db2.gz	JGCDLTYSAFYDHC-UHFFFAOYSA-N	-2	3	303.274	0.767	20	50		DCGDHL
CCC(=O)[N-][N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1	ZINC000736848800	978362222	/nfs/dbraw/zinc/36/22/22/978362222.db2.gz	YBJCWJDOJRYVMD-UHFFFAOYSA-N	-3	3	306.727	0.758	20	50		DCGDHL
O=C([O-])c1ccc(S(=O)(=O)[N-][N-]C(=O)C2CCCC2)o1	ZINC000740177111	978671155	/nfs/dbraw/zinc/67/11/55/978671155.db2.gz	CVCXQYSJPHFVKD-UHFFFAOYSA-N	-3	3	302.308	0.478	20	50		DCGDHL
CC(=O)[N-][N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-]	ZINC001589150419	985471332	/nfs/dbraw/zinc/47/13/32/985471332.db2.gz	QFSREAZUOCWZAL-UHFFFAOYSA-N	-3	3	314.344	0.929	20	50		DCGDHL
CN(C)C(=O)[N-][N-]S(=O)(=O)c1ccc(C=CC(=O)[O-])cc1	ZINC000830563113	601327803	/nfs/dbraw/zinc/32/78/03/601327803.db2.gz	GCKDGLHGWBTHEL-VMPITWQZSA-N	-3	3	313.335	0.249	20	50		DCGDHL
O=C([O-])NCC(=O)NNC(=O)c1cc2c(cc1[O-])CCCC2	ZINC000834203128	605457849	/nfs/dbraw/zinc/45/78/49/605457849.db2.gz	IGYZFZXYVKJNAR-UHFFFAOYSA-N	-2	3	307.306	0.300	20	50		DCGDHL
Cc1ocnc1C(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000737556490	945095633	/nfs/dbraw/zinc/09/56/33/945095633.db2.gz	KDGZEFDAKSYEHA-UHFFFAOYSA-N	-2	3	313.277	0.238	20	50		DCGDHL
Cc1ocnc1C(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000737556490	945095643	/nfs/dbraw/zinc/09/56/43/945095643.db2.gz	KDGZEFDAKSYEHA-UHFFFAOYSA-N	-2	3	313.277	0.238	20	50		DCGDHL
Cc1cc(C)[n-]c(=NNC(=O)Nc2ccn(CC(=O)[O-])n2)n1	ZINC001600183050	970774864	/nfs/dbraw/zinc/77/48/64/970774864.db2.gz	PMKLHAHQWDUNPN-UHFFFAOYSA-N	-2	3	305.298	0.523	20	50		DCGDHL
CC(C)CCC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1	ZINC000735797207	944702190	/nfs/dbraw/zinc/70/21/90/944702190.db2.gz	MHJNKDVRWCTVFZ-UHFFFAOYSA-N	-2	3	303.326	0.459	20	50		DCGDHL
O=C([O-])CC[C@@H]1C[C@H](C(=O)NNC(=O)c2ccccc2[O-])CO1	ZINC001595005772	951196989	/nfs/dbraw/zinc/19/69/89/951196989.db2.gz	QAHSBGSQCZPSGF-VHSXEESVSA-N	-2	3	322.317	0.423	20	50		DCGDHL
CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000266727273	962757389	/nfs/dbraw/zinc/75/73/89/962757389.db2.gz	NGAMDDZFTVLXGD-SSDOTTSWSA-N	-3	3	318.326	0.880	20	50		DCGDHL
CC(C)CC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000269092941	962771707	/nfs/dbraw/zinc/77/17/07/962771707.db2.gz	PHAYNEPBXGLUPD-UHFFFAOYSA-N	-3	3	318.326	0.880	20	50		DCGDHL
O=C([O-])CCNC(=O)NN=c1ncc(Br)c[n-]1	ZINC000848581765	969264021	/nfs/dbraw/zinc/26/40/21/969264021.db2.gz	QWSOUBXWTHMENA-UHFFFAOYSA-N	-2	3	304.104	0.340	20	50		DCGDHL
Cc1n[nH]cc1C(=O)[N-]NC(=O)c1ccc(NC(=O)[O-])cc1	ZINC000738334576	978520292	/nfs/dbraw/zinc/52/02/92/978520292.db2.gz	CVSBKRGGPXDDHP-UHFFFAOYSA-N	-2	3	303.278	0.883	20	50		DCGDHL
Cc1n[nH]cc1C(=O)[N-]NC(=O)c1ccccc1NC(=O)[O-]	ZINC000738827003	978603743	/nfs/dbraw/zinc/60/37/43/978603743.db2.gz	DEWJOPSXVKRZKY-UHFFFAOYSA-N	-2	3	303.278	0.883	20	50		DCGDHL
CCCCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000746055273	978680449	/nfs/dbraw/zinc/68/04/49/978680449.db2.gz	BLQOLTQAPLUOTL-UHFFFAOYSA-N	-3	3	319.339	0.579	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)C[C@H]2CCCN2C(=O)[O-])c([O-])c1	ZINC000830225165	603497894	/nfs/dbraw/zinc/49/78/94/603497894.db2.gz	HASLPTZOWDLBRZ-SNVBAGLBSA-N	-2	3	321.333	0.994	20	50		DCGDHL
COc1cc[n-]c(=NNC(=O)C2(CNC(=O)[O-])CCCC2)n1	ZINC000829649901	603628389	/nfs/dbraw/zinc/62/83/89/603628389.db2.gz	MRTKRIUABMIADM-UHFFFAOYSA-N	-2	3	309.326	0.756	20	50		DCGDHL
O=C([O-])NCCC(=O)N[N-]C(=O)c1cc(Cl)nc(Cl)c1	ZINC000834227277	605840417	/nfs/dbraw/zinc/84/04/17/605840417.db2.gz	QEQONOOZPCHELT-UHFFFAOYSA-N	-2	3	321.120	0.807	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@]1(C)CCCN(C(=O)[O-])C1	ZINC000833910576	605926452	/nfs/dbraw/zinc/92/64/52/605926452.db2.gz	METOTWRHRMWNIE-OAHLLOKOSA-N	-2	3	320.349	0.931	20	50		DCGDHL
O=C([N-]NC(=O)NC1CCCC1)c1cc(-c2nn[n-]n2)cs1	ZINC000823277669	606556346	/nfs/dbraw/zinc/55/63/46/606556346.db2.gz	UNTSIRKIQYGYMI-UHFFFAOYSA-N	-2	3	321.366	0.815	20	50		DCGDHL
CCNC(=O)N[N-]C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000821292398	945664499	/nfs/dbraw/zinc/66/44/99/945664499.db2.gz	ANTXFQWGAZFJSX-UHFFFAOYSA-N	-2	3	311.252	0.109	20	50		DCGDHL
O=C([O-])CCCNC(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1	ZINC000819442964	955444628	/nfs/dbraw/zinc/44/46/28/955444628.db2.gz	CQQZLPMHARPHIY-UHFFFAOYSA-N	-2	3	310.266	0.404	20	50		DCGDHL
CO[C@@](C)(C(=O)[O-])C(=O)N[N-]C(=O)c1ccc2ccccc2n1	ZINC001593926110	956128772	/nfs/dbraw/zinc/12/87/72/956128772.db2.gz	BXYKRGGADQUKIN-OAHLLOKOSA-N	-2	3	317.301	0.486	20	50		DCGDHL
COc1ncc[n-]c1=NNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001594159815	958873153	/nfs/dbraw/zinc/87/31/53/958873153.db2.gz	YEBNKVJRKXUFKI-RKDXNWHRSA-N	-2	3	310.310	0.198	20	50		DCGDHL
CCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C	ZINC000793381034	978804955	/nfs/dbraw/zinc/80/49/55/978804955.db2.gz	JVJHTAZFQHCPDH-UHFFFAOYSA-N	-3	3	319.314	0.345	20	50		DCGDHL
COc1ccc(C=NNC(=O)C(=O)[O-])c(Br)c1[O-]	ZINC001599543259	997880181	/nfs/dbraw/zinc/88/01/81/997880181.db2.gz	CLTNOBPVGBWRRL-UHFFFAOYSA-N	-2	3	317.095	0.698	20	50		DCGDHL
CC(C)(CNC(=O)NNC(=O)c1ccccc1[O-])NC(=O)[O-]	ZINC000823941163	603457696	/nfs/dbraw/zinc/45/76/96/603457696.db2.gz	FBJHPKVVDRLFSL-UHFFFAOYSA-N	-2	3	310.310	0.382	20	50		DCGDHL
O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)NN=c1cccn[n-]1	ZINC000832512779	603873700	/nfs/dbraw/zinc/87/37/00/603873700.db2.gz	GHIVXRNZSMCUTP-ZJUUUORDSA-N	-2	3	308.342	0.929	20	50		DCGDHL
O=C([N-]NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccn1	ZINC000823277037	946393694	/nfs/dbraw/zinc/39/36/94/946393694.db2.gz	CODSNAJPHQNBDX-UHFFFAOYSA-N	-2	3	315.318	0.398	20	50		DCGDHL
O=C([O-])c1ccc(C(=O)[N-]NC(=O)Cc2ccccc2O)nc1	ZINC001594711127	956881757	/nfs/dbraw/zinc/88/17/57/956881757.db2.gz	KHSROOSVDIFWAS-UHFFFAOYSA-N	-2	3	315.285	0.489	20	50		DCGDHL
CC(C)NC(=O)[N-][N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000299373952	962936216	/nfs/dbraw/zinc/93/62/16/962936216.db2.gz	ZIIMXJPUNIUHDE-UHFFFAOYSA-N	-3	3	319.314	0.425	20	50		DCGDHL
Cc1[nH]c(C(=O)N[N-]C(=O)c2cnn(C)c2)c(C)c1C(=O)[O-]	ZINC000738154975	978487709	/nfs/dbraw/zinc/48/77/09/978487709.db2.gz	AFHFWJAOTHLGFG-UHFFFAOYSA-N	-2	3	305.294	0.138	20	50		DCGDHL
Cc1n[nH]cc1C(=O)[N-]NC(=O)c1cccc(OCC(=O)[O-])c1	ZINC000738827000	978603655	/nfs/dbraw/zinc/60/36/55/978603655.db2.gz	CSUUIIKSFHHQSL-UHFFFAOYSA-N	-2	3	318.289	0.256	20	50		DCGDHL
COC[C@](C)(NC(=O)/C(C#N)=C\c1ccc([O-])cc1)C(=O)[O-]	ZINC001599150864	998296351	/nfs/dbraw/zinc/29/63/51/998296351.db2.gz	IWMPRXSBJAVCMT-QARUFBMTSA-N	-2	3	304.302	0.905	20	50		DCGDHL
O=C([O-])c1cc(C(=O)N[N-]C(=O)c2ccccc2F)ccn1	ZINC000833149651	601242671	/nfs/dbraw/zinc/24/26/71/601242671.db2.gz	XTDWORFUOWYROG-UHFFFAOYSA-N	-2	3	303.249	0.994	20	50		DCGDHL
O=C([O-])NCC(=O)N[N-]C(=O)c1ccc2ccc(Cl)cc2n1	ZINC000834202961	605463695	/nfs/dbraw/zinc/46/36/95/605463695.db2.gz	ICFZPKALYHTVEJ-UHFFFAOYSA-N	-2	3	322.708	0.917	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@@]1(C)CCN(C(=O)[O-])C1	ZINC000833911820	605927165	/nfs/dbraw/zinc/92/71/65/605927165.db2.gz	ZNGNXUWUMKJNSW-AWEZNQCLSA-N	-2	3	306.322	0.541	20	50		DCGDHL
O=C(NN=c1ncc(F)c[n-]1)c1cc(-c2nnn[n-]2)cs1	ZINC000826450081	608037850	/nfs/dbraw/zinc/03/78/50/608037850.db2.gz	WLYNQXCXYLHRKE-UHFFFAOYSA-N	-2	3	306.286	0.614	20	50		DCGDHL
O=C(NN=c1ncc(F)c[n-]1)c1cc(-c2nn[n-]n2)cs1	ZINC000826450081	608037851	/nfs/dbraw/zinc/03/78/51/608037851.db2.gz	WLYNQXCXYLHRKE-UHFFFAOYSA-N	-2	3	306.286	0.614	20	50		DCGDHL
O=C([O-])c1ccc(C(=O)N[N-]C(=O)c2ccccc2F)cn1	ZINC001601555427	971015718	/nfs/dbraw/zinc/01/57/18/971015718.db2.gz	AQEGMMUAPIMUBI-UHFFFAOYSA-N	-2	3	303.249	0.994	20	50		DCGDHL
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NN=c1ncc(Br)c[n-]1	ZINC001601562128	971017279	/nfs/dbraw/zinc/01/72/79/971017279.db2.gz	UCRVPCNXDJOQGP-NKWVEPMBSA-N	-2	3	315.127	0.793	20	50		DCGDHL
O=C([O-])c1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)cc1	ZINC000016099758	957098934	/nfs/dbraw/zinc/09/89/34/957098934.db2.gz	AHBSFZLJATXOPD-UHFFFAOYSA-N	-3	3	321.314	0.403	20	50		DCGDHL
COc1cc[n-]c(=NNC(=O)c2ccsc2CC(=O)[O-])n1	ZINC001599722137	991557840	/nfs/dbraw/zinc/55/78/40/991557840.db2.gz	AJGNBZUATPROTE-UHFFFAOYSA-N	-2	3	308.319	0.931	20	50		DCGDHL
COc1cc[n-]c(=NNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)n1	ZINC001599722804	991569270	/nfs/dbraw/zinc/56/92/70/991569270.db2.gz	STYSKPAVJFUVFB-UHFFFAOYSA-N	-2	3	306.322	0.963	20	50		DCGDHL
C[C@@H](OC(=O)/C(C#N)=C/c1ccc([O-])cc1)C(=O)NCC(=O)[O-]	ZINC000827802669	601589934	/nfs/dbraw/zinc/58/99/34/601589934.db2.gz	GVVCSNQKSGQUMI-VKRGWIQLSA-N	-2	3	318.285	0.432	20	50		DCGDHL
O=C([O-])COCC(=O)N[N-]C(=O)c1ccc2ccccc2n1	ZINC001595107215	951884903	/nfs/dbraw/zinc/88/49/03/951884903.db2.gz	NQJCDHPZUXTSCZ-UHFFFAOYSA-N	-2	3	303.274	0.097	20	50		DCGDHL
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000298880749	962934993	/nfs/dbraw/zinc/93/49/93/962934993.db2.gz	YTOJZNPCBSKROY-UHFFFAOYSA-N	-3	3	306.365	0.802	20	50		DCGDHL
Cc1cccc(C(=O)[N-]NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)n1	ZINC001605320606	973156583	/nfs/dbraw/zinc/15/65/83/973156583.db2.gz	VSEIXTBYNBSWGL-OAHLLOKOSA-N	-2	3	303.318	0.962	20	50		DCGDHL
CCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000743256706	978677693	/nfs/dbraw/zinc/67/76/93/978677693.db2.gz	OYVJDKYKCOVOPS-UHFFFAOYSA-N	-3	3	319.314	0.426	20	50		DCGDHL
CC(C)CC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000918063252	982686271	/nfs/dbraw/zinc/68/62/71/982686271.db2.gz	LMEGEAVILSAQKG-UHFFFAOYSA-N	-3	3	318.326	0.880	20	50		DCGDHL
CCCNC(=O)[N-][N-]S(=O)(=O)c1ccsc1C(=O)[O-]	ZINC001595925719	983045044	/nfs/dbraw/zinc/04/50/44/983045044.db2.gz	FYDOBMZPGWCOLZ-UHFFFAOYSA-N	-3	3	307.353	0.349	20	50		DCGDHL
COc1cc[n-]c(=NNC(=O)c2c(C)coc2CC(=O)[O-])n1	ZINC001599722828	991569124	/nfs/dbraw/zinc/56/91/24/991569124.db2.gz	UQRAXGXJKLXGHB-UHFFFAOYSA-N	-2	3	306.278	0.771	20	50		DCGDHL
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)NN=c1cccn[n-]1	ZINC000826127270	604892372	/nfs/dbraw/zinc/89/23/72/604892372.db2.gz	SFKANYAFBMMFET-BDAKNGLRSA-N	-2	3	324.341	0.606	20	50		DCGDHL
O=C([O-])N1CC(CNC(=O)N[N-]C(=O)c2ccccc2F)C1	ZINC000834035012	605743820	/nfs/dbraw/zinc/74/38/20/605743820.db2.gz	FKLUWYWWHYFTDT-UHFFFAOYSA-N	-2	3	310.285	0.380	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)NCc2ccccc2C(=O)[O-])cn1	ZINC001594530386	955525158	/nfs/dbraw/zinc/52/51/58/955525158.db2.gz	QIBYYYKYIYEHIF-UHFFFAOYSA-N	-2	3	317.305	0.263	20	50		DCGDHL
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NN=c1ncc(Br)c[n-]1	ZINC001594227509	959438099	/nfs/dbraw/zinc/43/80/99/959438099.db2.gz	QLNDCOWXGXNMOV-FWOIEVBISA-N	-2	3	315.127	0.793	20	50		DCGDHL
COc1ncc[n-]c1=NNC(=O)C=Cc1ccc(C(=O)[O-])o1	ZINC001604912580	972464917	/nfs/dbraw/zinc/46/49/17/972464917.db2.gz	YLVTYKVXXVSCEN-HYXAFXHYSA-N	-2	3	304.262	0.933	20	50		DCGDHL
CC(C)NC(=O)[N-][N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000267248499	962763606	/nfs/dbraw/zinc/76/36/06/962763606.db2.gz	NWCBZDLARVHXKE-UHFFFAOYSA-N	-3	3	319.314	0.425	20	50		DCGDHL
CC(C)c1cccc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])c1	ZINC001591994166	976628849	/nfs/dbraw/zinc/62/88/49/976628849.db2.gz	GROIQKIPRLYUPN-UHFFFAOYSA-N	-3	3	315.351	0.387	20	50		DCGDHL
CC(C)(C)CC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000736251624	978313550	/nfs/dbraw/zinc/31/35/50/978313550.db2.gz	RCYHGVPCCKKANP-UHFFFAOYSA-N	-3	3	304.324	0.724	20	50		DCGDHL
CCc1[nH]c(C(=O)N[N-]C(=O)c2cnn(C)c2)c(C)c1C(=O)[O-]	ZINC000737243136	978390769	/nfs/dbraw/zinc/39/07/69/978390769.db2.gz	BARVGKKVCSGZQJ-UHFFFAOYSA-N	-2	3	319.321	0.392	20	50		DCGDHL
Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[N-]C(=O)c1cnn(C)c1	ZINC000738165570	978491617	/nfs/dbraw/zinc/49/16/17/978491617.db2.gz	DGHDIDIVPAYVDN-UHFFFAOYSA-N	-2	3	305.294	0.138	20	50		DCGDHL
Cc1cc(C)[n-]c(=NNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)n1	ZINC000738380525	978531411	/nfs/dbraw/zinc/53/14/11/978531411.db2.gz	YZJNZOIKSAYNLA-JTQLQIEISA-N	-2	3	308.342	0.862	20	50		DCGDHL
O=C([O-])c1cccc(C(=O)[N-]NC(=S)NCC2CCC2)n1	ZINC000740214980	978672778	/nfs/dbraw/zinc/67/27/78/978672778.db2.gz	CGRKXHCNBCNLFX-UHFFFAOYSA-N	-2	3	308.363	0.689	20	50		DCGDHL
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)C(C)C	ZINC000751264593	978691504	/nfs/dbraw/zinc/69/15/04/978691504.db2.gz	WEFUVPWQQQWZMR-UHFFFAOYSA-N	-3	3	318.326	0.798	20	50		DCGDHL
O=C([O-])N[C@H]1CCC[C@@H](C(=O)NNC(=O)c2ccccc2[O-])C1	ZINC000832325737	603436154	/nfs/dbraw/zinc/43/61/54/603436154.db2.gz	OAKZLHBSWRUIDF-ZJUUUORDSA-N	-2	3	321.333	0.980	20	50		DCGDHL
CC(C)(C)[C@H](NCC(=O)N[N-]C(=O)c1cccs1)C(=O)[O-]	ZINC000833424410	605241582	/nfs/dbraw/zinc/24/15/82/605241582.db2.gz	UQBWVOBBIZKZAD-SNVBAGLBSA-N	-2	3	313.379	0.598	20	50		DCGDHL
O=C([O-])NCCCC(=O)NN=C1C(=O)Nc2cc([O-])ccc21	ZINC000834229255	605798053	/nfs/dbraw/zinc/79/80/53/605798053.db2.gz	BMQCGYGXWDYAQF-UHFFFAOYSA-N	-2	3	306.278	0.212	20	50		DCGDHL
Cc1cccc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)n1	ZINC000737384173	945053952	/nfs/dbraw/zinc/05/39/52/945053952.db2.gz	IAHLQCXHPPBPRP-UHFFFAOYSA-N	-2	3	323.316	0.645	20	50		DCGDHL
Cc1cccc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)n1	ZINC000737384173	945053962	/nfs/dbraw/zinc/05/39/62/945053962.db2.gz	IAHLQCXHPPBPRP-UHFFFAOYSA-N	-2	3	323.316	0.645	20	50		DCGDHL
CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)C2(C(=O)[O-])CC2)o1	ZINC000737846150	955227858	/nfs/dbraw/zinc/22/78/58/955227858.db2.gz	NTFKVGMMFGZYBC-UHFFFAOYSA-N	-2	3	323.349	0.747	20	50		DCGDHL
N#Cc1cccc(C(=O)N[N-]C(=O)c2ccc(C(=O)[O-])cn2)c1	ZINC000739131829	955252117	/nfs/dbraw/zinc/25/21/17/955252117.db2.gz	FVSCIGYRQOCKNN-UHFFFAOYSA-N	-2	3	310.269	0.726	20	50		DCGDHL
Cc1n[nH]cc1C(=O)[N-]NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C	ZINC001594442135	959286724	/nfs/dbraw/zinc/28/67/24/959286724.db2.gz	JBORMXJMBLBDTI-UHFFFAOYSA-N	-2	3	308.338	0.616	20	50		DCGDHL
Cc1cccc(C(=O)[N-]NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)n1	ZINC001605320375	973153828	/nfs/dbraw/zinc/15/38/28/973153828.db2.gz	JMVMYVBEWVWJCB-MNOVXSKESA-N	-2	3	321.333	0.421	20	50		DCGDHL
Cc1[nH]nc(S(=O)(=O)[N-][N-]C(=O)CC(C)(C)C)c1C(=O)[O-]	ZINC000738338714	978520955	/nfs/dbraw/zinc/52/09/55/978520955.db2.gz	UMYKMJODXWAOLR-UHFFFAOYSA-N	-3	3	318.355	0.162	20	50		DCGDHL
Cc1n[nH]cc1C(=O)[N-]NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000738335726	978521111	/nfs/dbraw/zinc/52/11/11/978521111.db2.gz	VVBZFOYVCFJRIM-UHFFFAOYSA-N	-2	3	305.294	0.436	20	50		DCGDHL
O=C([O-])c1ccc(C(=O)[N-]NC(=O)Cc2ccccc2F)nc1	ZINC000739344560	978630615	/nfs/dbraw/zinc/63/06/15/978630615.db2.gz	CJAROSLGKCFDQH-UHFFFAOYSA-N	-2	3	317.276	0.923	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)CN(CC2CC2)C(=O)[O-])c([O-])c1	ZINC000830225681	603497794	/nfs/dbraw/zinc/49/77/94/603497794.db2.gz	SXAWOLVKPZWSCM-UHFFFAOYSA-N	-2	3	321.333	0.852	20	50		DCGDHL
CCCN(CCNC(=O)NNC(=O)c1ccccc1[O-])C(=O)[O-]	ZINC000833854891	606015774	/nfs/dbraw/zinc/01/57/74/606015774.db2.gz	DYZMAPMJDAGJRC-UHFFFAOYSA-N	-2	3	324.337	0.726	20	50		DCGDHL
C[C@@H]1CN(CC(=O)N[N-]C(=O)c2cccs2)C[C@H]1C(=O)[O-]	ZINC000235341299	960414873	/nfs/dbraw/zinc/41/48/73/960414873.db2.gz	KEKJFPLZHFPCPX-RKDXNWHRSA-N	-2	3	311.363	0.162	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)c2ccccc2NC(=O)[O-])cn1	ZINC000739023164	978613080	/nfs/dbraw/zinc/61/30/80/978613080.db2.gz	PKGYGSBBEYAXAL-UHFFFAOYSA-N	-2	3	303.278	0.585	20	50		DCGDHL
O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-][N-]C(=O)C1CCC1	ZINC000740143128	978670460	/nfs/dbraw/zinc/67/04/60/978670460.db2.gz	CXZYEGNDOKHMAX-UHFFFAOYSA-N	-3	3	316.310	0.634	20	50		DCGDHL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)NC(C)C	ZINC000746055261	978680457	/nfs/dbraw/zinc/68/04/57/978680457.db2.gz	BDIAEQSBIIEYNO-UHFFFAOYSA-N	-3	3	305.312	0.187	20	50		DCGDHL
CCC(=O)[N-][N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-]	ZINC001594712343	987175677	/nfs/dbraw/zinc/17/56/77/987175677.db2.gz	HXTKZKUZYFVPEA-UHFFFAOYSA-N	-3	3	306.727	0.758	20	50		DCGDHL
CN(C)c1nc(C(=O)NNc2ccccc2C(=O)[O-])cc(=O)[n-]1	ZINC001598354690	991471837	/nfs/dbraw/zinc/47/18/37/991471837.db2.gz	PTJZBGXQMAFPOJ-UHFFFAOYSA-N	-2	3	317.305	0.703	20	50		DCGDHL
O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)C2CCCC2)cs1	ZINC000833303917	600675282	/nfs/dbraw/zinc/67/52/82/600675282.db2.gz	KEHTVAZBMUZAEX-UHFFFAOYSA-N	-3	3	318.376	0.946	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)NC1CCN(C(=O)[O-])CC1	ZINC000830594647	603946781	/nfs/dbraw/zinc/94/67/81/603946781.db2.gz	BXUVKOBVNYVJCP-UHFFFAOYSA-N	-2	3	321.337	0.476	20	50		DCGDHL
O=C([O-])NN=C([O-])NCCOc1ncccc1C(F)(F)F	ZINC000834250684	605661945	/nfs/dbraw/zinc/66/19/45/605661945.db2.gz	MKAINHNXCKDEMR-UHFFFAOYSA-N	-2	3	308.216	0.961	20	50		DCGDHL
CC(C)CC(=O)N[N-]C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000820051701	945339918	/nfs/dbraw/zinc/33/99/18/945339918.db2.gz	SQOXMYJPJWFEKJ-UHFFFAOYSA-N	-2	3	324.291	0.952	20	50		DCGDHL
O=C([N-]NC(=O)c1ccncc1)c1cc(-c2nn[n-]n2)cs1	ZINC000823277139	946397679	/nfs/dbraw/zinc/39/76/79/946397679.db2.gz	FUCXFQJRYCPRMO-UHFFFAOYSA-N	-2	3	315.318	0.398	20	50		DCGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC001608169571	970402341	/nfs/dbraw/zinc/40/23/41/970402341.db2.gz	HBNVOUHUBZTXRY-YLBKJLTLSA-N	-2	3	302.286	0.611	20	50		DCGDHL
O=C([O-])N1CCC[C@@H](NC(=O)N[N-]C(=O)c2ccccc2F)C1	ZINC000739453522	978637817	/nfs/dbraw/zinc/63/78/17/978637817.db2.gz	KKGVGSLXEPZFKP-SECBINFHSA-N	-2	3	324.312	0.912	20	50		DCGDHL
O=C([O-])c1ccc(C(=O)[N-]NC(=S)NCC2CCC2)nc1	ZINC000740110136	978669848	/nfs/dbraw/zinc/66/98/48/978669848.db2.gz	SEYJHATULUZMAR-UHFFFAOYSA-N	-2	3	308.363	0.689	20	50		DCGDHL
O=C([O-])c1sccc1S(=O)(=O)[N-][N-]C(=O)C1CCC1	ZINC000740290902	978673941	/nfs/dbraw/zinc/67/39/41/978673941.db2.gz	WPZYCOOWQCGQKC-UHFFFAOYSA-N	-3	3	304.349	0.556	20	50		DCGDHL
CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)C(C)(C)C	ZINC001597785894	989306643	/nfs/dbraw/zinc/30/66/43/989306643.db2.gz	SSTKGUJOUXBGHN-UHFFFAOYSA-N	-3	3	318.351	0.896	20	50		DCGDHL
CC(C)(C)n1cnc(C(=O)[N-]N=c2ccc(C(=O)[O-])c[nH]2)n1	ZINC001590603120	990264173	/nfs/dbraw/zinc/26/41/73/990264173.db2.gz	PUYJWAHJTOGTGT-UHFFFAOYSA-N	-2	3	304.310	0.883	20	50		DCGDHL
CCC(=O)[N-][N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC	ZINC000828570753	601149865	/nfs/dbraw/zinc/14/98/65/601149865.db2.gz	VFWTWGIKDHRYLE-UHFFFAOYSA-N	-3	3	308.337	0.174	20	50		DCGDHL
O=C([O-])N[C@H]1CC[C@H](C(=O)NNC(=O)c2ccccc2[O-])C1	ZINC000832276331	603436018	/nfs/dbraw/zinc/43/60/18/603436018.db2.gz	AJXPYFPBKOVJBL-IUCAKERBSA-N	-2	3	307.306	0.590	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)[C@H](C)CN(C)C(=O)[O-])c([O-])c1	ZINC000830225127	604217425	/nfs/dbraw/zinc/21/74/25/604217425.db2.gz	GBJWGTZJZARYIH-SECBINFHSA-N	-2	3	309.322	0.708	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)CNC(=O)[O-])c(C2CCCCC2)n1	ZINC000833943066	605444566	/nfs/dbraw/zinc/44/45/66/605444566.db2.gz	GKTAXHZUWBBXQD-UHFFFAOYSA-N	-2	3	323.353	0.496	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@]1(C)CCCN1C(=O)[O-]	ZINC000833910372	605926221	/nfs/dbraw/zinc/92/62/21/605926221.db2.gz	JYBACYYGQBDWJT-AWEZNQCLSA-N	-2	3	306.322	0.684	20	50		DCGDHL
O=C([N-]NC(=O)c1cccnc1)c1cc(-c2nn[n-]n2)cs1	ZINC000823277252	946397192	/nfs/dbraw/zinc/39/71/92/946397192.db2.gz	IAUJKLANBBQOIM-UHFFFAOYSA-N	-2	3	315.318	0.398	20	50		DCGDHL
O=C([O-])CC[C@H]1C[C@@H](C(=O)NNC(=O)c2ccccc2[O-])CO1	ZINC001595005773	951197472	/nfs/dbraw/zinc/19/74/72/951197472.db2.gz	QAHSBGSQCZPSGF-ZJUUUORDSA-N	-2	3	322.317	0.423	20	50		DCGDHL
O=C([O-])C1(C(=O)NN=c2ncc(Br)c[n-]2)CC1	ZINC000848454052	955744303	/nfs/dbraw/zinc/74/43/03/955744303.db2.gz	HZWUDVCSRAMKQN-UHFFFAOYSA-N	-2	3	301.100	0.547	20	50		DCGDHL
CCC(CC)(NCC(=O)N[N-]C(=O)c1cccs1)C(=O)[O-]	ZINC000094243155	958284012	/nfs/dbraw/zinc/28/40/12/958284012.db2.gz	SXOPSVHFCWAORR-UHFFFAOYSA-N	-2	3	313.379	0.742	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)C2(C(=O)[O-])CCCCCC2)cn1	ZINC001605481031	973596444	/nfs/dbraw/zinc/59/64/44/973596444.db2.gz	DYEYBZUYLMGPNI-UHFFFAOYSA-N	-2	3	308.338	0.606	20	50		DCGDHL
O=C([O-])N1CCC[C@H](NC(=O)NNC(=O)c2ccccc2[O-])C1	ZINC000739454897	978640645	/nfs/dbraw/zinc/64/06/45/978640645.db2.gz	VYQFFIYGMLJPFX-VIFPVBQESA-N	-2	3	322.321	0.479	20	50		DCGDHL
COc1ncc[n-]c1=NNC(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001599738431	991810556	/nfs/dbraw/zinc/81/05/56/991810556.db2.gz	GOYFQCYDYDKSJZ-UHFFFAOYSA-N	-2	3	302.290	0.869	20	50		DCGDHL
Cc1oc(S(=O)(=O)[N-][N-]C(=O)C2CCC2)cc1C(=O)[O-]	ZINC000833027019	601234068	/nfs/dbraw/zinc/23/40/68/601234068.db2.gz	NGOIGFSADVTVRV-UHFFFAOYSA-N	-3	3	302.308	0.396	20	50		DCGDHL
CC(C)CC(=O)[N-][N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000826754216	601856306	/nfs/dbraw/zinc/85/63/06/601856306.db2.gz	KTSUQYSMIXCHIY-UHFFFAOYSA-N	-3	3	318.326	0.880	20	50		DCGDHL
COc1cc[n-]c(=NNC(=O)c2ccc(CNC(=O)[O-])o2)n1	ZINC000829649730	603312309	/nfs/dbraw/zinc/31/23/09/603312309.db2.gz	KLWSVYUTBLOJDM-UHFFFAOYSA-N	-2	3	307.266	0.603	20	50		DCGDHL
O=C([O-])NCCC(=O)NNC(=O)c1cc2c(cc1[O-])CCCC2	ZINC000834228545	605845826	/nfs/dbraw/zinc/84/58/26/605845826.db2.gz	LEQVHWIYFVNZDM-UHFFFAOYSA-N	-2	3	321.333	0.690	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000833911128	605927258	/nfs/dbraw/zinc/92/72/58/605927258.db2.gz	UDXYEHISYFUCNX-MNOVXSKESA-N	-2	3	320.349	0.977	20	50		DCGDHL
O=C([N-]NC(=O)C1CCCC1)c1ccc(-c2nn[n-]n2)cn1	ZINC000738130479	945209085	/nfs/dbraw/zinc/20/90/85/945209085.db2.gz	QRYSBQAMQRBIOU-UHFFFAOYSA-N	-2	3	301.310	0.213	20	50		DCGDHL
CCCCNC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1	ZINC000821071411	945628498	/nfs/dbraw/zinc/62/84/98/945628498.db2.gz	DCHWRLNRIJNGPF-UHFFFAOYSA-N	-2	3	309.355	0.672	20	50		DCGDHL
Cc1ccc(C(=O)[N-]NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)o1	ZINC000826281646	947807828	/nfs/dbraw/zinc/80/78/28/947807828.db2.gz	CVXQJRNTOFGNHU-UHFFFAOYSA-N	-2	3	301.266	0.171	20	50		DCGDHL
Cc1ccc(C(=O)[N-]NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1	ZINC000826281646	947807842	/nfs/dbraw/zinc/80/78/42/947807842.db2.gz	CVXQJRNTOFGNHU-UHFFFAOYSA-N	-2	3	301.266	0.171	20	50		DCGDHL
C[C@]1(C(=O)[O-])CCN(CC(=O)N[N-]C(=O)c2cccs2)C1	ZINC000062935650	948966955	/nfs/dbraw/zinc/96/69/55/948966955.db2.gz	OZWPILANIODKRI-ZDUSSCGKSA-N	-2	3	311.363	0.306	20	50		DCGDHL
COc1ncc[n-]c1=NNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001594159814	958874707	/nfs/dbraw/zinc/87/47/07/958874707.db2.gz	YEBNKVJRKXUFKI-IUCAKERBSA-N	-2	3	310.310	0.198	20	50		DCGDHL
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000298879715	962934260	/nfs/dbraw/zinc/93/42/60/962934260.db2.gz	YIDWGMLONADZFI-UHFFFAOYSA-N	-3	3	306.365	0.802	20	50		DCGDHL
CC[C@H](C)C(=O)[N-][N-]S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000298880836	962934661	/nfs/dbraw/zinc/93/46/61/962934661.db2.gz	YZAVFJIAVMCOKP-LURJTMIESA-N	-3	3	306.365	0.802	20	50		DCGDHL
CCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000737829423	978449117	/nfs/dbraw/zinc/44/91/17/978449117.db2.gz	REAFCNRFIFIFLY-UHFFFAOYSA-N	-3	3	319.314	0.426	20	50		DCGDHL
CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-]	ZINC001594865742	982170164	/nfs/dbraw/zinc/17/01/64/982170164.db2.gz	JRVCXZFTZXJJEG-ZCFIWIBFSA-N	-3	3	318.351	0.950	20	50		DCGDHL
CCCCNC(=O)[N-][N-]S(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001595758311	982460677	/nfs/dbraw/zinc/46/06/77/982460677.db2.gz	ALDWUOWEIRDPAX-UHFFFAOYSA-N	-3	3	316.339	0.072	20	50		DCGDHL
COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][N-]C(=O)C(C)C	ZINC000831939378	601150200	/nfs/dbraw/zinc/15/02/00/601150200.db2.gz	KRMKTHZXQDPWBH-UHFFFAOYSA-N	-3	3	322.364	0.420	20	50		DCGDHL
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000826134863	601857149	/nfs/dbraw/zinc/85/71/49/601857149.db2.gz	DWYOWXVEKMBCJI-UHFFFAOYSA-N	-3	3	318.326	0.880	20	50		DCGDHL
O=C([O-])N1CC[C@](F)(C(=O)N[N-]C(=O)c2ccccc2F)C1	ZINC000831736443	603815209	/nfs/dbraw/zinc/81/52/09/603815209.db2.gz	LZNUKDQMXOCCSA-CYBMUJFWSA-N	-2	3	313.260	0.679	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)c([O-])c1	ZINC000830225133	604061786	/nfs/dbraw/zinc/06/17/86/604061786.db2.gz	GHFICPNMZRGOJA-HNNXBMFYSA-N	-2	3	321.333	0.852	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)C1CCC(NC(=O)[O-])CC1	ZINC000833909472	605926301	/nfs/dbraw/zinc/92/63/01/605926301.db2.gz	AZWVWKJLFLTFAY-UHFFFAOYSA-N	-2	3	320.349	0.977	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000833911068	605926512	/nfs/dbraw/zinc/92/65/12/605926512.db2.gz	SJFZFFOUQRUOTK-UWVGGRQHSA-N	-2	3	306.322	0.587	20	50		DCGDHL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1c(O)cccc1Cl	ZINC000834232853	605995459	/nfs/dbraw/zinc/99/54/59/605995459.db2.gz	ZRMZHZVPRORFKE-UHFFFAOYSA-N	-2	3	315.713	0.854	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)[C@@H]2CCCC[C@@]2(C)NC(=O)[O-])cn1	ZINC000833943812	606051916	/nfs/dbraw/zinc/05/19/16/606051916.db2.gz	PGMGEVDAMYRWAH-IINYFYTJSA-N	-2	3	323.353	0.398	20	50		DCGDHL
Cc1ccc(C(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)s2)o1	ZINC000822226160	946001514	/nfs/dbraw/zinc/00/15/14/946001514.db2.gz	FLEURLMVYWPPIS-UHFFFAOYSA-N	-2	3	318.318	0.904	20	50		DCGDHL
O=C([N-]NC(=O)c1ccc[nH]1)c1cc(-c2nn[n-]n2)cs1	ZINC000823276966	946391682	/nfs/dbraw/zinc/39/16/82/946391682.db2.gz	AFQJZKNHEPMALQ-UHFFFAOYSA-N	-2	3	303.307	0.331	20	50		DCGDHL
Cc1nc(C)c(CC(=O)NN=c2[nH]cccc2C(=O)[O-])c(=O)[n-]1	ZINC001594449023	959346057	/nfs/dbraw/zinc/34/60/57/959346057.db2.gz	BWFQSOSPVBYGQM-UHFFFAOYSA-N	-2	3	317.305	0.578	20	50		DCGDHL
Cc1n[nH]cc1C(=O)[N-]NC(=O)c1coc(C=CC(=O)[O-])c1	ZINC001574416168	961317671	/nfs/dbraw/zinc/31/76/71/961317671.db2.gz	TXGINDVEVSOEBS-NSCUHMNNSA-N	-2	3	304.262	0.484	20	50		DCGDHL
CC(C)NC(=O)[N-][N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000290514057	962894715	/nfs/dbraw/zinc/89/47/15/962894715.db2.gz	IQVVOSFKCWKGAC-UHFFFAOYSA-N	-3	3	315.351	0.215	20	50		DCGDHL
O=C([O-])N1CC(CNC(=O)NN=c2ccc(Cl)n[n-]2)C1	ZINC000834035530	605738519	/nfs/dbraw/zinc/73/85/19/605738519.db2.gz	SWZSMAYARYOKJD-UHFFFAOYSA-N	-2	3	300.706	0.366	20	50		DCGDHL
CCNC(=O)N(C)[N-]C(=O)c1ncc(-c2nnn[n-]2)cc1Cl	ZINC000825470256	609165774	/nfs/dbraw/zinc/16/57/74/609165774.db2.gz	AMSZBWVXTRZSRO-UHFFFAOYSA-N	-2	3	324.732	0.221	20	50		DCGDHL
CCNC(=O)N(C)[N-]C(=O)c1ncc(-c2nn[n-]n2)cc1Cl	ZINC000825470256	609165776	/nfs/dbraw/zinc/16/57/76/609165776.db2.gz	AMSZBWVXTRZSRO-UHFFFAOYSA-N	-2	3	324.732	0.221	20	50		DCGDHL
Cc1ccc(C(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)o1	ZINC000822226097	946002887	/nfs/dbraw/zinc/00/28/87/946002887.db2.gz	CJMJVEIOLRENHL-UHFFFAOYSA-N	-2	3	313.277	0.238	20	50		DCGDHL
O=C([O-])CCCC(=O)NN=c1ncc(Br)c[n-]1	ZINC001329100214	957688733	/nfs/dbraw/zinc/68/87/33/957688733.db2.gz	QUJYQGSCPDRMJC-UHFFFAOYSA-N	-2	3	303.116	0.937	20	50		DCGDHL
CC(C)NC(=O)[N-][N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000736476640	978337738	/nfs/dbraw/zinc/33/77/38/978337738.db2.gz	OFTAQPMJXWYPIY-UHFFFAOYSA-N	-3	3	319.314	0.425	20	50		DCGDHL
CCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000737028342	978373551	/nfs/dbraw/zinc/37/35/51/978373551.db2.gz	GBOOBQFCAFWESU-UHFFFAOYSA-N	-3	3	315.351	0.216	20	50		DCGDHL
CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)[C@H](C)CC	ZINC001597785947	989308039	/nfs/dbraw/zinc/30/80/39/989308039.db2.gz	VRYVRGIOGKRJRG-SSDOTTSWSA-N	-3	3	318.351	0.896	20	50		DCGDHL
C[C@@H]1C[C@H](C(=O)NNC(=O)c2ccccc2[O-])O[C@H]1C(=O)[O-]	ZINC001599876170	989422354	/nfs/dbraw/zinc/42/23/54/989422354.db2.gz	SMTRAQBUCITDSV-AVPPRXQKSA-N	-2	3	308.290	0.031	20	50		DCGDHL
COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-][N-]C(=O)C(C)C	ZINC001599382655	996884264	/nfs/dbraw/zinc/88/42/64/996884264.db2.gz	APOOQYZTJUGVJE-UHFFFAOYSA-N	-3	3	316.335	0.359	20	50		DCGDHL
CC(C)C(=O)[N-][N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000826658337	601856174	/nfs/dbraw/zinc/85/61/74/601856174.db2.gz	NAZDMUTYFFASFU-UHFFFAOYSA-N	-3	3	304.299	0.489	20	50		DCGDHL
Cc1cc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-])cc(C)c1F	ZINC000833901315	605391620	/nfs/dbraw/zinc/39/16/20/605391620.db2.gz	NERWKBCTZZZOAM-UHFFFAOYSA-N	-3	3	319.314	0.020	20	50		DCGDHL
CCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])oc1CC	ZINC000833658233	605420685	/nfs/dbraw/zinc/42/06/85/605420685.db2.gz	YAACVGXEMNNJKI-UHFFFAOYSA-N	-3	3	305.312	0.053	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000833910539	605926060	/nfs/dbraw/zinc/92/60/60/605926060.db2.gz	LLBHMXYBPAAOHP-CYBMUJFWSA-N	-2	3	310.285	0.243	20	50		DCGDHL
O=C(NN=c1ncc(F)c[n-]1)Nc1cccc(-c2nn[n-]n2)c1	ZINC000826450025	608023011	/nfs/dbraw/zinc/02/30/11/608023011.db2.gz	UDURGBDUPGTFQK-UHFFFAOYSA-N	-2	3	315.272	0.944	20	50		DCGDHL
Cc1cc(-c2nn[n-]n2)ccc1C(=O)NN=c1ncc(F)c[n-]1	ZINC000826249684	608038188	/nfs/dbraw/zinc/03/81/88/608038188.db2.gz	ONCSMCGVIKUXFO-UHFFFAOYSA-N	-2	3	314.284	0.861	20	50		DCGDHL
O=C([O-])c1ccc(C(=O)[N-]NC(=S)Nc2ccccn2)nc1	ZINC001595220990	949247367	/nfs/dbraw/zinc/24/73/67/949247367.db2.gz	UEYAKVDXWJEUPT-UHFFFAOYSA-N	-2	3	317.330	0.806	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)NC2CCC(C(=O)[O-])CC2)cn1	ZINC000738404365	955240295	/nfs/dbraw/zinc/24/02/95/955240295.db2.gz	BVIMOJGEQDJOSR-UHFFFAOYSA-N	-2	3	309.326	0.008	20	50		DCGDHL
O=C([O-])[C@@H](C(=O)NN=c1ncc(Br)c[n-]1)C1CC1	ZINC000852953607	955879141	/nfs/dbraw/zinc/87/91/41/955879141.db2.gz	VJNKDILWXBYVRC-SSDOTTSWSA-N	-2	3	315.127	0.793	20	50		DCGDHL
CC(C)CC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000266485455	962755636	/nfs/dbraw/zinc/75/56/36/962755636.db2.gz	UPYQVZZCXXIDGM-UHFFFAOYSA-N	-3	3	318.326	0.880	20	50		DCGDHL
CC[C@H](C)C(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000269113246	962772216	/nfs/dbraw/zinc/77/22/16/962772216.db2.gz	XSFGOWZMIAODDQ-ZETCQYMHSA-N	-3	3	318.326	0.880	20	50		DCGDHL
O=C([O-])Cn1ccc(NC(=O)N[N-]C(=O)c2ccccc2F)n1	ZINC001606348780	973784750	/nfs/dbraw/zinc/78/47/50/973784750.db2.gz	MRRJBIHUAWRLGY-UHFFFAOYSA-N	-2	3	321.268	0.573	20	50		DCGDHL
C[C@H]1CN(C(=O)/C(C#N)=C/c2ccc([O-])cc2)C[C@@H](C(=O)[O-])O1	ZINC001599913507	985019597	/nfs/dbraw/zinc/01/95/97/985019597.db2.gz	UYSZRAWPNJHQKQ-BKFWAJFMSA-N	-2	3	316.313	1.000	20	50		DCGDHL
COc1cc[n-]c(=NNC(=O)Cc2ccccc2C(=O)[O-])n1	ZINC001599722473	991563060	/nfs/dbraw/zinc/56/30/60/991563060.db2.gz	KALVKBBQYIOXHA-UHFFFAOYSA-N	-2	3	302.290	0.869	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)NCC2(C(=O)[O-])CCCC2)cn1	ZINC000833041310	601423201	/nfs/dbraw/zinc/42/32/01/601423201.db2.gz	HVCUBMNPZOACCO-UHFFFAOYSA-N	-2	3	309.326	0.009	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)c([O-])c1	ZINC000830225149	603497915	/nfs/dbraw/zinc/49/79/15/603497915.db2.gz	GOMXSQWDVWIVDP-UWVGGRQHSA-N	-2	3	321.333	0.898	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)CN(C(=O)[O-])c2ccccc2)cn1	ZINC000830989974	605347097	/nfs/dbraw/zinc/34/70/97/605347097.db2.gz	VYCXSRCYTDMHIU-UHFFFAOYSA-N	-2	3	317.305	0.366	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)CCN(C(=O)[O-])C(C)C	ZINC000833910898	605926243	/nfs/dbraw/zinc/92/62/43/605926243.db2.gz	QERLFWHGNLLAPL-UHFFFAOYSA-N	-2	3	308.338	0.930	20	50		DCGDHL
Cc1ocnc1C(=O)[N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000737557295	945096764	/nfs/dbraw/zinc/09/67/64/945096764.db2.gz	RCLONLTWBVZHTG-UHFFFAOYSA-N	-2	3	313.277	0.238	20	50		DCGDHL
Cc1ocnc1C(=O)[N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000737557295	945096773	/nfs/dbraw/zinc/09/67/73/945096773.db2.gz	RCLONLTWBVZHTG-UHFFFAOYSA-N	-2	3	313.277	0.238	20	50		DCGDHL
CC(C)(C)NC(=S)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1	ZINC000735624192	944681543	/nfs/dbraw/zinc/68/15/43/944681543.db2.gz	WZLPRMCCQVKOMB-UHFFFAOYSA-N	-2	3	320.382	0.169	20	50		DCGDHL
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-][N-]C(=O)N(C)C	ZINC000268106379	962766580	/nfs/dbraw/zinc/76/65/80/962766580.db2.gz	HAQMHYCAIHVDHM-UHFFFAOYSA-N	-3	3	301.324	0.158	20	50		DCGDHL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)C1CCCC1	ZINC000746054063	978680402	/nfs/dbraw/zinc/68/04/02/978680402.db2.gz	LUZVYIKCEWAZPH-UHFFFAOYSA-N	-3	3	316.335	0.786	20	50		DCGDHL
O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)cs1	ZINC000833137576	600678318	/nfs/dbraw/zinc/67/83/18/600678318.db2.gz	COCICXFXFOHKLC-UHFFFAOYSA-N	-3	3	319.364	0.349	20	50		DCGDHL
O=C([O-])N1CCC[C@H](C(=O)N[N-]C(=O)c2ccccc2F)C1	ZINC000831736621	605443544	/nfs/dbraw/zinc/44/35/44/605443544.db2.gz	QFNHGJPEGYRXOW-VIFPVBQESA-N	-2	3	309.297	0.977	20	50		DCGDHL
O=C([O-])N[C@H](CC(F)F)C(=O)N[N-]C(=O)c1ccccc1F	ZINC000834136108	605999905	/nfs/dbraw/zinc/99/99/05/605999905.db2.gz	PQOIVIKVWPSNEG-MRVPVSSYSA-N	-2	3	319.239	0.878	20	50		DCGDHL
CCCCNC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1	ZINC000736460610	944825847	/nfs/dbraw/zinc/82/58/47/944825847.db2.gz	IEDRMRJXVOCSQZ-UHFFFAOYSA-N	-2	3	304.314	0.006	20	50		DCGDHL
Cc1cccc(C(=O)[N-]NC(=O)C2(C(=O)[O-])CCSCC2)n1	ZINC001594387397	958688740	/nfs/dbraw/zinc/68/87/40/958688740.db2.gz	FYQNKLQFUIOJLO-UHFFFAOYSA-N	-2	3	323.374	0.749	20	50		DCGDHL
CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000266419053	962755665	/nfs/dbraw/zinc/75/56/65/962755665.db2.gz	IHEWWLGCSQLSTL-SSDOTTSWSA-N	-3	3	318.326	0.880	20	50		DCGDHL
CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000298880838	962933748	/nfs/dbraw/zinc/93/37/48/962933748.db2.gz	YZAVFJIAVMCOKP-ZCFIWIBFSA-N	-3	3	306.365	0.802	20	50		DCGDHL
Cc1n[nH]cc1C(=O)[N-]NC(=O)c1c(C)[nH]c(C(=O)[O-])c1C	ZINC000738335016	978520204	/nfs/dbraw/zinc/52/02/04/978520204.db2.gz	LQLNOJJQMDNLOF-UHFFFAOYSA-N	-2	3	305.294	0.436	20	50		DCGDHL
O=C([O-])NCCC(=O)N[N-]C(=O)c1cnn(-c2ccccc2)c1	ZINC000738657531	978581878	/nfs/dbraw/zinc/58/18/78/978581878.db2.gz	QBWSJHGSPYLRDR-UHFFFAOYSA-N	-2	3	317.305	0.291	20	50		DCGDHL
Cc1n[nH]cc1C(=O)[N-]NC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000738826952	978603707	/nfs/dbraw/zinc/60/37/07/978603707.db2.gz	AAFBKFSEYHBXHK-UHFFFAOYSA-N	-2	3	316.317	0.810	20	50		DCGDHL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)NCC1CC1	ZINC000746055521	978680294	/nfs/dbraw/zinc/68/02/94/978680294.db2.gz	QMUQYGHWYPWWKQ-UHFFFAOYSA-N	-3	3	317.323	0.189	20	50		DCGDHL
CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC001594866365	982175054	/nfs/dbraw/zinc/17/50/54/982175054.db2.gz	RVPXGWJZVCKRQN-SSDOTTSWSA-N	-3	3	318.326	0.880	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)c2ccc(C(=O)[O-])c(F)c2)cn1	ZINC000833041853	604824674	/nfs/dbraw/zinc/82/46/74/604824674.db2.gz	TUHLHNUTIYPTRO-UHFFFAOYSA-N	-2	3	306.253	0.332	20	50		DCGDHL
O=C([O-])NCC(=O)N[N-]C(=O)c1cnc(-c2ccccc2)nc1	ZINC000834203511	605475042	/nfs/dbraw/zinc/47/50/42/605475042.db2.gz	VOLMXJZHBZPULP-UHFFFAOYSA-N	-2	3	315.289	0.172	20	50		DCGDHL
O=C([N-]NC(=O)NC1CCCC1)c1ccc(-c2nn[n-]n2)cn1	ZINC000738136351	945233913	/nfs/dbraw/zinc/23/39/13/945233913.db2.gz	KJUJTFPYTJTDLF-UHFFFAOYSA-N	-2	3	316.325	0.148	20	50		DCGDHL
Cc1cc(C(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)s2)[nH]n1	ZINC000822177133	945971257	/nfs/dbraw/zinc/97/12/57/945971257.db2.gz	UTHYQSMKIIHMJX-UHFFFAOYSA-N	-2	3	318.322	0.035	20	50		DCGDHL
O=C([N-]NC(=O)c1ccoc1)c1cc(-c2nn[n-]n2)cs1	ZINC000823276989	946390966	/nfs/dbraw/zinc/39/09/66/946390966.db2.gz	AVPOMTMJVJQXDE-UHFFFAOYSA-N	-2	3	304.291	0.596	20	50		DCGDHL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)N(C)C	ZINC000299417187	962936887	/nfs/dbraw/zinc/93/68/87/962936887.db2.gz	GLSHVDZAVSMVOO-UHFFFAOYSA-N	-3	3	301.324	0.158	20	50		DCGDHL
Cc1cccc(C(=O)[N-]NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)n1	ZINC001605320377	973154117	/nfs/dbraw/zinc/15/41/17/973154117.db2.gz	JMVMYVBEWVWJCB-WDEREUQCSA-N	-2	3	321.333	0.421	20	50		DCGDHL
Cc1cccc(C(=O)[N-]NC(=O)[C@]2(C(=O)[O-])CC=CCC2)n1	ZINC001605320605	973156345	/nfs/dbraw/zinc/15/63/45/973156345.db2.gz	VSEIXTBYNBSWGL-HNNXBMFYSA-N	-2	3	303.318	0.962	20	50		DCGDHL
CCC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C	ZINC000751266431	978691542	/nfs/dbraw/zinc/69/15/42/978691542.db2.gz	CGKLPYABJWGFQE-UHFFFAOYSA-N	-3	3	304.299	0.552	20	50		DCGDHL
COc1ncc[n-]c1=NNC(=O)c1ccc(C=CC(=O)[O-])o1	ZINC001599738896	991817327	/nfs/dbraw/zinc/81/73/27/991817327.db2.gz	NUCAFBHBMBDIAB-HYXAFXHYSA-N	-2	3	304.262	0.933	20	50		DCGDHL
COc1cc(S(=O)(=O)[N-][N-]C(=O)C(C)C)ccc1C(=O)[O-]	ZINC001599461138	998274653	/nfs/dbraw/zinc/27/46/53/998274653.db2.gz	NFHBJYRITSJJKR-UHFFFAOYSA-N	-3	3	316.335	0.359	20	50		DCGDHL
COC[C@@](C)(NC(=O)/C(C#N)=C\c1ccc([O-])cc1)C(=O)[O-]	ZINC001599150863	998296159	/nfs/dbraw/zinc/29/61/59/998296159.db2.gz	IWMPRXSBJAVCMT-OCOPJHETSA-N	-2	3	304.302	0.905	20	50		DCGDHL
Cc1oc(S(=O)(=O)[N-][N-]C(=O)C2CCCC2)cc1C(=O)[O-]	ZINC000833027765	601231908	/nfs/dbraw/zinc/23/19/08/601231908.db2.gz	XCSAQXONHJYVIP-UHFFFAOYSA-N	-3	3	316.335	0.786	20	50		DCGDHL
Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[N-]C(=O)c1ccccn1	ZINC000826249629	607644309	/nfs/dbraw/zinc/64/43/09/607644309.db2.gz	LXCCSGICGQBDPG-UHFFFAOYSA-N	-2	3	323.316	0.645	20	50		DCGDHL
Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[N-]C(=O)c1ccccn1	ZINC000826249629	607644312	/nfs/dbraw/zinc/64/43/12/607644312.db2.gz	LXCCSGICGQBDPG-UHFFFAOYSA-N	-2	3	323.316	0.645	20	50		DCGDHL
O=C([O-])NCCCC(=O)[N-][N-]S(=O)(=O)c1ccccc1F	ZINC000834232392	605802839	/nfs/dbraw/zinc/80/28/39/605802839.db2.gz	UHJFSJCNKHGQMQ-UHFFFAOYSA-N	-3	3	319.314	0.183	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000833910542	605926188	/nfs/dbraw/zinc/92/61/88/605926188.db2.gz	LLBHMXYBPAAOHP-ZDUSSCGKSA-N	-2	3	310.285	0.243	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@@]1(C)CCCN1C(=O)[O-]	ZINC000833910377	605926348	/nfs/dbraw/zinc/92/63/48/605926348.db2.gz	JYBACYYGQBDWJT-CQSZACIVSA-N	-2	3	306.322	0.684	20	50		DCGDHL
O=C([O-])NCCNC(=O)NN=Cc1c([O-])cccc1Cl	ZINC000834243553	606054289	/nfs/dbraw/zinc/05/42/89/606054289.db2.gz	ONHMMFMOHRUJLP-UHFFFAOYSA-N	-2	3	300.702	0.946	20	50		DCGDHL
Cc1ccc(C(=O)[N-]NC(=O)c2sccc2-c2nnn[n-]2)o1	ZINC000822226406	946004708	/nfs/dbraw/zinc/00/47/08/946004708.db2.gz	QYEGVYSGCMJYOZ-UHFFFAOYSA-N	-2	3	318.318	0.904	20	50		DCGDHL
CC[C@@H](CNC(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC001589538791	955186339	/nfs/dbraw/zinc/18/63/39/955186339.db2.gz	NMABXBGMRBGCET-QMMMGPOBSA-N	-2	3	324.293	0.650	20	50		DCGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC001608169568	970402589	/nfs/dbraw/zinc/40/25/89/970402589.db2.gz	HBNVOUHUBZTXRY-LWMSPQMPSA-N	-2	3	302.286	0.611	20	50		DCGDHL
O=C([O-])C(=O)NN=c1[n-]c(Br)cn2ccnc12	ZINC001605891289	972686548	/nfs/dbraw/zinc/68/65/48/972686548.db2.gz	OSUSEQITFNKDRW-UHFFFAOYSA-N	-2	3	300.072	0.020	20	50		DCGDHL
CCC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F	ZINC000753770211	978693360	/nfs/dbraw/zinc/69/33/60/978693360.db2.gz	OFGLGHXUKQVVEQ-UHFFFAOYSA-N	-3	3	304.299	0.552	20	50		DCGDHL
CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)N(C)C	ZINC001597786172	989309705	/nfs/dbraw/zinc/30/97/05/989309705.db2.gz	XVLTULFIRRRVPN-UHFFFAOYSA-N	-3	3	305.312	0.005	20	50		DCGDHL
CC[C@H](C)C(=O)[N-][N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000828700062	601858251	/nfs/dbraw/zinc/85/82/51/601858251.db2.gz	GIFMGSLAQGJITF-ZETCQYMHSA-N	-3	3	318.326	0.880	20	50		DCGDHL
CC(C)(C)CC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833422470	604688809	/nfs/dbraw/zinc/68/88/09/604688809.db2.gz	IFTIPUDYFLCLHF-UHFFFAOYSA-N	-3	3	315.351	0.526	20	50		DCGDHL
O=C([O-])N1CCC[C@@H](n2cc(C(=O)[N-]NC(=O)C3CC3)cn2)C1	ZINC000834044611	605506523	/nfs/dbraw/zinc/50/65/23/605506523.db2.gz	GSFHKXRWLWFZCC-LLVKDONJSA-N	-2	3	321.337	0.369	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)CC1(NC(=O)[O-])CCC1	ZINC000833910453	605926408	/nfs/dbraw/zinc/92/64/08/605926408.db2.gz	KZVWAYRHCMBXFO-UHFFFAOYSA-N	-2	3	306.322	0.731	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-]	ZINC000833911797	605926948	/nfs/dbraw/zinc/92/69/48/605926948.db2.gz	YVNVEFGTBZBDHX-ZJUUUORDSA-N	-2	3	306.322	0.587	20	50		DCGDHL
O=C([N-]NC(=O)c1ccncc1)c1ccc(-c2nn[n-]n2)s1	ZINC000823277565	606517472	/nfs/dbraw/zinc/51/74/72/606517472.db2.gz	QIZWNDDUMXKZCK-UHFFFAOYSA-N	-2	3	315.318	0.398	20	50		DCGDHL
O=C([O-])CCC(=O)N[N-]C(=O)c1cnn(-c2ccccc2)c1	ZINC001611416561	971037456	/nfs/dbraw/zinc/03/74/56/971037456.db2.gz	LYNGZYRFJZNJOQ-UHFFFAOYSA-N	-2	3	302.290	0.498	20	50		DCGDHL
Cc1ccc(C(=O)[N-]NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)o1	ZINC000822226524	946004763	/nfs/dbraw/zinc/00/47/63/946004763.db2.gz	WPQVTLHOQHNCFY-UHFFFAOYSA-N	-2	3	301.266	0.171	20	50		DCGDHL
Cc1ccc(C(=O)[N-]NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)o1	ZINC000822226524	946004778	/nfs/dbraw/zinc/00/47/78/946004778.db2.gz	WPQVTLHOQHNCFY-UHFFFAOYSA-N	-2	3	301.266	0.171	20	50		DCGDHL
O=C([O-])c1ccc[nH]c1=NNC(=O)c1cc2c(cc1[O-])OCO2	ZINC001594781888	953638248	/nfs/dbraw/zinc/63/82/48/953638248.db2.gz	WPDGYWJTXDSBMK-UHFFFAOYSA-N	-2	3	317.257	0.971	20	50		DCGDHL
CN([N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-])C(=O)OC(C)(C)C	ZINC001593766490	954521781	/nfs/dbraw/zinc/52/17/81/954521781.db2.gz	QGGDJDJEFFKUSX-QMMMGPOBSA-N	-2	3	323.371	0.152	20	50		DCGDHL
Cc1n[nH]cc1C(=O)[N-]NC(=O)Nc1cccnc1C(=O)[O-]	ZINC001594441959	959284493	/nfs/dbraw/zinc/28/44/93/959284493.db2.gz	GZJSGNLWFJCNJB-UHFFFAOYSA-N	-2	3	304.266	0.278	20	50		DCGDHL
Cc1cc(C)[n-]c(=NNC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)n1	ZINC000738380527	978531426	/nfs/dbraw/zinc/53/14/26/978531426.db2.gz	YZJNZOIKSAYNLA-SNVBAGLBSA-N	-2	3	308.342	0.862	20	50		DCGDHL
Cc1oc(C)c(S(=O)(=O)[N-][N-]C(=O)C2CCC2)c1C(=O)[O-]	ZINC000738966483	978611005	/nfs/dbraw/zinc/61/10/05/978611005.db2.gz	VOZUMKPRTPMQPQ-UHFFFAOYSA-N	-3	3	316.335	0.704	20	50		DCGDHL
CCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000768506391	978739197	/nfs/dbraw/zinc/73/91/97/978739197.db2.gz	QUHTWBDMDAWZMQ-UHFFFAOYSA-N	-3	3	319.314	0.426	20	50		DCGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)OCC(=O)NCCC(=O)[O-]	ZINC000833062719	601590514	/nfs/dbraw/zinc/59/05/14/601590514.db2.gz	DKVZHTAIXZYGAA-YRNVUSSQSA-N	-2	3	318.285	0.433	20	50		DCGDHL
C[C@@]1(C(=O)N[N-]C(=O)c2ccccc2F)CCN(C(=O)[O-])C1	ZINC000825672721	603861908	/nfs/dbraw/zinc/86/19/08/603861908.db2.gz	ILSSDLKWULPIIE-CQSZACIVSA-N	-2	3	309.297	0.977	20	50		DCGDHL
O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)NN=c1cccn[n-]1	ZINC000832512778	603873761	/nfs/dbraw/zinc/87/37/61/603873761.db2.gz	GHIVXRNZSMCUTP-VHSXEESVSA-N	-2	3	308.342	0.929	20	50		DCGDHL
O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)NN=c1cccn[n-]1)C2	ZINC000831742781	603886585	/nfs/dbraw/zinc/88/65/85/603886585.db2.gz	QTTJLHXWCANXNR-PBINXNQUSA-N	-2	3	306.326	0.776	20	50		DCGDHL
CC(C)(C)c1cc(C(=O)[N-]NC(=O)CCCNC(=O)[O-])n[nH]1	ZINC000823854054	605409157	/nfs/dbraw/zinc/40/91/57/605409157.db2.gz	FLEMQJVPXIEELO-UHFFFAOYSA-N	-2	3	311.342	0.516	20	50		DCGDHL
O=C([O-])N1CCC[C@@H](C(=O)N[N-]C(=O)c2ccccc2F)C1	ZINC000831736620	605443522	/nfs/dbraw/zinc/44/35/22/605443522.db2.gz	QFNHGJPEGYRXOW-SECBINFHSA-N	-2	3	309.297	0.977	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)CC[C@H]1CCN(C(=O)[O-])C1	ZINC000833911438	605532662	/nfs/dbraw/zinc/53/26/62/605532662.db2.gz	VPJQRRMWCLLMBY-NSHDSACASA-N	-2	3	320.349	0.931	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)CN(CC1CC1)C(=O)[O-]	ZINC000833910573	605926175	/nfs/dbraw/zinc/92/61/75/605926175.db2.gz	MEFPOFYSBBJGTG-UHFFFAOYSA-N	-2	3	306.322	0.541	20	50		DCGDHL
O=C([O-])c1ccc(C(=O)[N-]NC(=O)c2ccccc2O)nc1	ZINC001595220982	949248593	/nfs/dbraw/zinc/24/85/93/949248593.db2.gz	TXEVQQPFADHYSQ-UHFFFAOYSA-N	-2	3	301.258	0.560	20	50		DCGDHL
O=C([O-])c1ccc(C(=O)NNC(=O)c2ccccc2[O-])nc1	ZINC001595220982	949248618	/nfs/dbraw/zinc/24/86/18/949248618.db2.gz	TXEVQQPFADHYSQ-UHFFFAOYSA-N	-2	3	301.258	0.560	20	50		DCGDHL
O=C([O-])C1(C(=O)N[N-]C(=O)c2cnn(-c3ccccc3)c2)CC1	ZINC001594778916	953611222	/nfs/dbraw/zinc/61/12/22/953611222.db2.gz	DAKCLOWIGJGILI-UHFFFAOYSA-N	-2	3	314.301	0.498	20	50		DCGDHL
O=C([O-])c1ncccc1NC(=O)NNC(=O)c1ccccc1[O-]	ZINC001594779775	953619343	/nfs/dbraw/zinc/61/93/43/953619343.db2.gz	FKOBZPIWEVPPFC-UHFFFAOYSA-N	-2	3	316.273	0.952	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)Nc1cncc(C(=O)[O-])c1	ZINC001594420371	959054691	/nfs/dbraw/zinc/05/46/91/959054691.db2.gz	IPHVMJIALPVQCZ-UHFFFAOYSA-N	-2	3	315.289	0.950	20	50		DCGDHL
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000266443079	962757302	/nfs/dbraw/zinc/75/73/02/962757302.db2.gz	NAIRVTOIDPJRLK-UHFFFAOYSA-N	-3	3	318.326	0.880	20	50		DCGDHL
CC(C)NC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000266690640	962757552	/nfs/dbraw/zinc/75/75/52/962757552.db2.gz	DKWSUCBEZZUZTN-UHFFFAOYSA-N	-3	3	319.314	0.425	20	50		DCGDHL
CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)[C@H]2C[C@@H]2C(=O)[O-])o1	ZINC000737088007	978378354	/nfs/dbraw/zinc/37/83/54/978378354.db2.gz	LJEJXRXDTXNXCO-QWRGUYRKSA-N	-2	3	323.349	0.603	20	50		DCGDHL
CCCNC(=O)[N-][N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-]	ZINC001595925966	983047101	/nfs/dbraw/zinc/04/71/01/983047101.db2.gz	PDXKWEHDSXTTKW-UHFFFAOYSA-N	-3	3	315.351	0.596	20	50		DCGDHL
CCCCNC(=O)[N-][N-]S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000829401755	600678575	/nfs/dbraw/zinc/67/85/75/600678575.db2.gz	JRCXQTWMHKHAPE-UHFFFAOYSA-N	-3	3	321.380	0.739	20	50		DCGDHL
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)NN=c1cccn[n-]1	ZINC000826127271	604892595	/nfs/dbraw/zinc/89/25/95/604892595.db2.gz	SFKANYAFBMMFET-DTWKUNHWSA-N	-2	3	324.341	0.606	20	50		DCGDHL
O=C([O-])N[C@H](CNC(=O)N[N-]C(=O)c1ccccc1F)C1CC1	ZINC000834141582	605843282	/nfs/dbraw/zinc/84/32/82/605843282.db2.gz	BAIFAQWRMQUMNE-LLVKDONJSA-N	-2	3	324.312	0.816	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-]	ZINC000833911794	605927189	/nfs/dbraw/zinc/92/71/89/605927189.db2.gz	YVNVEFGTBZBDHX-NXEZZACHSA-N	-2	3	306.322	0.587	20	50		DCGDHL
Cn1cccc1C(=O)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1	ZINC000822690477	946158946	/nfs/dbraw/zinc/15/89/46/946158946.db2.gz	ZKDUWCUZOXGTIJ-UHFFFAOYSA-N	-2	3	317.334	0.342	20	50		DCGDHL
CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)CCC(=O)[O-])o1	ZINC001589726500	950468670	/nfs/dbraw/zinc/46/86/70/950468670.db2.gz	ZRHURZYAYTYFFH-UHFFFAOYSA-N	-2	3	311.338	0.747	20	50		DCGDHL
O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)NN=c1cccn[n-]1)O2	ZINC001594748399	953399823	/nfs/dbraw/zinc/39/98/23/953399823.db2.gz	IUZBGUWJJVHOFJ-XIRUVYRFSA-N	-2	3	321.337	0.515	20	50		DCGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)OCC(=O)NCC(=O)[O-]	ZINC000821315566	955498475	/nfs/dbraw/zinc/49/84/75/955498475.db2.gz	XHYZBKHXTIGXQS-BJMVGYQFSA-N	-2	3	304.258	0.043	20	50		DCGDHL
CO[C@H](C(=O)[O-])C(=O)NNc1nc2ccccc2[n-]c1=S	ZINC001593911436	955968537	/nfs/dbraw/zinc/96/85/37/955968537.db2.gz	LCPZOYCKLSTBCN-QMMMGPOBSA-N	-2	3	308.319	0.835	20	50		DCGDHL
O=C([O-])C[C@@H]1CCCN1CC(=O)N[N-]C(=O)c1cccs1	ZINC000042162792	957402693	/nfs/dbraw/zinc/40/26/93/957402693.db2.gz	DFTBAWWXYKJIIH-VIFPVBQESA-N	-2	3	311.363	0.448	20	50		DCGDHL
CC[C@H](C)C(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000266419056	962757016	/nfs/dbraw/zinc/75/70/16/962757016.db2.gz	IHEWWLGCSQLSTL-ZETCQYMHSA-N	-3	3	318.326	0.880	20	50		DCGDHL
CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000298846868	962932441	/nfs/dbraw/zinc/93/24/41/962932441.db2.gz	IWVHCUWMVQLHJM-ZCFIWIBFSA-N	-3	3	306.365	0.802	20	50		DCGDHL
O=C([O-])N1CCC[C@H](NC(=O)NN=c2cncc(Cl)[n-]2)C1	ZINC000739454751	978640262	/nfs/dbraw/zinc/64/02/62/978640262.db2.gz	UFVXJDDZRJQJJN-ZETCQYMHSA-N	-2	3	314.733	0.899	20	50		DCGDHL
C[C@@H](NC(=S)N[N-]C(=O)c1cccc(C(=O)[O-])n1)C1CC1	ZINC000827710987	601343139	/nfs/dbraw/zinc/34/31/39/601343139.db2.gz	WPZZNOWTKCQXEY-SSDOTTSWSA-N	-2	3	308.363	0.687	20	50		DCGDHL
O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2ccccc2[O-])C1	ZINC000832325734	603436023	/nfs/dbraw/zinc/43/60/23/603436023.db2.gz	OAKZLHBSWRUIDF-NXEZZACHSA-N	-2	3	321.333	0.980	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)C1CCN(C(=O)[O-])CC1	ZINC000830594789	603948586	/nfs/dbraw/zinc/94/85/86/603948586.db2.gz	CTIXTHLWESLUKM-UHFFFAOYSA-N	-2	3	306.322	0.541	20	50		DCGDHL
CC(C)CC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833473797	604685321	/nfs/dbraw/zinc/68/53/21/604685321.db2.gz	PAVMCCYZDZESKA-UHFFFAOYSA-N	-3	3	301.324	0.135	20	50		DCGDHL
Cc1cc(C(=O)[N-]NC(=O)CNC(=O)[O-])c(Cl)cc1F	ZINC000833897707	605464910	/nfs/dbraw/zinc/46/49/10/605464910.db2.gz	DYCWNZWVKLGMCN-UHFFFAOYSA-N	-2	3	303.677	0.816	20	50		DCGDHL
O=C([O-])NCCCC(=O)[N-][N-]S(=O)(=O)c1ccc(F)cc1	ZINC000834230859	605804377	/nfs/dbraw/zinc/80/43/77/605804377.db2.gz	DZWIJADMHMYGNG-UHFFFAOYSA-N	-3	3	319.314	0.183	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@H]1CCCCN1C(=O)[O-]	ZINC000833911235	605927275	/nfs/dbraw/zinc/92/72/75/605927275.db2.gz	VHGKXCTYBPPOLE-SNVBAGLBSA-N	-2	3	306.322	0.684	20	50		DCGDHL
O=C([O-])N[C@@H](CC(F)F)C(=O)N[N-]C(=O)c1ccccc1F	ZINC000834136109	605999914	/nfs/dbraw/zinc/99/99/14/605999914.db2.gz	PQOIVIKVWPSNEG-QMMMGPOBSA-N	-2	3	319.239	0.878	20	50		DCGDHL
O=C(NN=c1ncc(F)c[n-]1)Nc1ccc(-c2nn[n-]n2)cc1	ZINC000826449887	608023146	/nfs/dbraw/zinc/02/31/46/608023146.db2.gz	NPMMGXNEINISMO-UHFFFAOYSA-N	-2	3	315.272	0.944	20	50		DCGDHL
CC(C)(C)CC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1	ZINC000735593255	944675480	/nfs/dbraw/zinc/67/54/80/944675480.db2.gz	HJEXFVZXLNNQHW-UHFFFAOYSA-N	-2	3	303.326	0.459	20	50		DCGDHL
O=C([O-])C1(NCC(=O)N[N-]C(=O)c2cccs2)CCCC1	ZINC000821388895	955503172	/nfs/dbraw/zinc/50/31/72/955503172.db2.gz	YPAAIYSICICWLP-UHFFFAOYSA-N	-2	3	311.363	0.496	20	50		DCGDHL
O=C([O-])C1(C(=O)NN=c2ncc(Cl)c[n-]2)CCOCC1	ZINC001574633177	962308534	/nfs/dbraw/zinc/30/85/34/962308534.db2.gz	LODJZQKDPPLWOE-UHFFFAOYSA-N	-2	3	300.702	0.455	20	50		DCGDHL
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-][N-]C(=O)C2CCC2)c1	ZINC000266757462	962760135	/nfs/dbraw/zinc/76/01/35/962760135.db2.gz	UWQAMZMICPGBJA-UHFFFAOYSA-N	-3	3	316.310	0.634	20	50		DCGDHL
CC[C@H](C)C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000298846864	962931207	/nfs/dbraw/zinc/93/12/07/962931207.db2.gz	IWVHCUWMVQLHJM-LURJTMIESA-N	-3	3	306.365	0.802	20	50		DCGDHL
O=C([O-])[C@@H]1C[C@@H]1C(=O)N[N-]C(=O)c1cnn(-c2ccccc2)c1	ZINC000739455292	978641397	/nfs/dbraw/zinc/64/13/97/978641397.db2.gz	YMSADJGFRQMZAS-NWDGAFQWSA-N	-2	3	314.301	0.354	20	50		DCGDHL
Cc1cccc(C(=O)[N-][N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1	ZINC000794600399	978814225	/nfs/dbraw/zinc/81/42/25/978814225.db2.gz	CRQYDPBJTOAOEZ-UHFFFAOYSA-N	-3	3	324.318	0.040	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000833911067	605926412	/nfs/dbraw/zinc/92/64/12/605926412.db2.gz	SJFZFFOUQRUOTK-NXEZZACHSA-N	-2	3	306.322	0.587	20	50		DCGDHL
O=C([O-])c1cnc(C(=O)[N-]N=c2cnc3ccccc3[n-]2)cn1	ZINC001602509344	971218721	/nfs/dbraw/zinc/21/87/21/971218721.db2.gz	ZQPCALGRPXRCPF-UHFFFAOYSA-N	-3	3	310.273	0.875	20	50		DCGDHL
O=C([O-])CSCC(=O)N[N-]C(=O)c1ccc2ccccc2n1	ZINC000740485249	955259810	/nfs/dbraw/zinc/25/98/10/955259810.db2.gz	CJLFLYJCJNPFGM-UHFFFAOYSA-N	-2	3	319.342	0.814	20	50		DCGDHL
C[C@@H](CC(=O)[O-])NC(=O)NN=c1ncc(Br)c[n-]1	ZINC001589000699	955321012	/nfs/dbraw/zinc/32/10/12/955321012.db2.gz	CWRCQEGYFRZCIY-YFKPBYRVSA-N	-2	3	318.131	0.728	20	50		DCGDHL
O=C([O-])c1ccnc(NC(=O)N[N-]C(=O)CC(F)(F)F)c1	ZINC001594675666	956659289	/nfs/dbraw/zinc/65/92/89/956659289.db2.gz	AMPQVINMEJFOOQ-UHFFFAOYSA-N	-2	3	306.200	0.885	20	50		DCGDHL
Cc1cc(NC(=O)N[N-]C(=O)c2cn[nH]c2)ccc1C(=O)[O-]	ZINC001594323258	958139614	/nfs/dbraw/zinc/13/96/14/958139614.db2.gz	QUEJEVDJNARBHL-UHFFFAOYSA-N	-2	3	303.278	0.883	20	50		DCGDHL
Cc1ccc(S(=O)(=O)[N-][N-]C(=O)N(C)C)cc1C(=O)[O-]	ZINC000299461446	962936984	/nfs/dbraw/zinc/93/69/84/962936984.db2.gz	XTTGXMHNDQSCQX-UHFFFAOYSA-N	-3	3	301.324	0.158	20	50		DCGDHL
O=C([O-])C1(C(=O)NNC(=O)c2ccccc2[O-])CCSCC1	ZINC001605815881	972546086	/nfs/dbraw/zinc/54/60/86/972546086.db2.gz	WNCBKZUQXVEKSF-UHFFFAOYSA-N	-2	3	324.358	0.751	20	50		DCGDHL
Cc1cc(F)c(S(=O)(=O)[N-][N-]C(=O)C(C)C)cc1C(=O)[O-]	ZINC000753770615	978693593	/nfs/dbraw/zinc/69/35/93/978693593.db2.gz	RYCSRNGSONAMDN-UHFFFAOYSA-N	-3	3	318.326	0.798	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCN2C(=O)[O-])c([O-])c1	ZINC000830225823	603999743	/nfs/dbraw/zinc/99/97/43/603999743.db2.gz	YILVJMKPGTYCSR-SNVBAGLBSA-N	-2	3	307.306	0.604	20	50		DCGDHL
O=C([O-])N[C@@H](CC(F)F)C(=O)N[N-]C(=O)CC(F)(F)F	ZINC000834137065	605312845	/nfs/dbraw/zinc/31/28/45/605312845.db2.gz	YQUNSJOTTOLIHL-VKHMYHEASA-N	-2	3	307.175	0.378	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)Cc2ccccc2NC(=O)[O-])cn1	ZINC000833943909	606061939	/nfs/dbraw/zinc/06/19/39/606061939.db2.gz	RGOVKZSSYZETNT-UHFFFAOYSA-N	-2	3	317.305	0.514	20	50		DCGDHL
O=C([N-]NC(=O)c1ccoc1)c1ccc(-c2nn[n-]n2)s1	ZINC000823277778	606540462	/nfs/dbraw/zinc/54/04/62/606540462.db2.gz	WSTVRKMOAWPKBC-UHFFFAOYSA-N	-2	3	304.291	0.596	20	50		DCGDHL
C=CCNC(=S)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1	ZINC000819751030	945280932	/nfs/dbraw/zinc/28/09/32/945280932.db2.gz	MMJUITUNKFTTNK-UHFFFAOYSA-N	-2	3	309.380	0.223	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)[C@]2(C(=O)[O-])CC2(C)C)c([O-])c1	ZINC001574356674	961005317	/nfs/dbraw/zinc/00/53/17/961005317.db2.gz	DMROGXBPBFBSAJ-HNNXBMFYSA-N	-2	3	306.318	0.963	20	50		DCGDHL
CCCNC(=O)[N-][N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000737028212	978373401	/nfs/dbraw/zinc/37/34/01/978373401.db2.gz	AONXQKNJXBNNEV-UHFFFAOYSA-N	-3	3	319.314	0.426	20	50		DCGDHL
CCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000757658001	978703827	/nfs/dbraw/zinc/70/38/27/978703827.db2.gz	ZMBZDJKJPZVYOH-UHFFFAOYSA-N	-3	3	315.351	0.596	20	50		DCGDHL
Cc1ccc(C(=O)[N-][N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)o1	ZINC000832911317	979054967	/nfs/dbraw/zinc/05/49/67/979054967.db2.gz	CMTSICFADDKLLL-UHFFFAOYSA-N	-3	3	314.275	0.503	20	50		DCGDHL
CC(=NNC(=O)c1ccc([O-])cc1)c1cn(CC(=O)[O-])nn1	ZINC000825804619	604781078	/nfs/dbraw/zinc/78/10/78/604781078.db2.gz	PGIZIFAJJMXIAH-UHFFFAOYSA-N	-2	3	303.278	0.222	20	50		DCGDHL
CC(C)CCC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000833479870	605187145	/nfs/dbraw/zinc/18/71/45/605187145.db2.gz	CJJMLDPCPCJEPM-UHFFFAOYSA-N	-3	3	304.324	0.724	20	50		DCGDHL
O=C([O-])N[C@H](CNC(=O)NNC(=O)c1ccccc1[O-])C1CC1	ZINC000834143653	605946808	/nfs/dbraw/zinc/94/68/08/605946808.db2.gz	KTNFRYWVGOWJDU-SNVBAGLBSA-N	-2	3	322.321	0.382	20	50		DCGDHL
Cc1ncoc1C(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000822482512	946102439	/nfs/dbraw/zinc/10/24/39/946102439.db2.gz	TXMGCWHEKMMBTJ-UHFFFAOYSA-N	-2	3	313.277	0.238	20	50		DCGDHL
Cc1ncoc1C(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000822482512	946102446	/nfs/dbraw/zinc/10/24/46/946102446.db2.gz	TXMGCWHEKMMBTJ-UHFFFAOYSA-N	-2	3	313.277	0.238	20	50		DCGDHL
O=C([N-]NC(=O)C1CCCC1)c1ccc(-c2nn[n-]n2)s1	ZINC000823273568	946381989	/nfs/dbraw/zinc/38/19/89/946381989.db2.gz	QUXYSUNHRVTMOW-UHFFFAOYSA-N	-2	3	306.351	0.879	20	50		DCGDHL
O=C([O-])C1CCC(NC(=O)NNC(=O)c2ccccc2[O-])CC1	ZINC000739454104	955254018	/nfs/dbraw/zinc/25/40/18/955254018.db2.gz	QEMPJUWOSOHTOF-UHFFFAOYSA-N	-2	3	321.333	0.980	20	50		DCGDHL
CC(=O)Nc1cncc(C(=O)[N-]NC(=O)CCCCC(=O)[O-])c1	ZINC001588526011	958855075	/nfs/dbraw/zinc/85/50/75/958855075.db2.gz	IEXNAPZCCPEYIW-UHFFFAOYSA-N	-2	3	322.321	0.446	20	50		DCGDHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)N(C)C)c1C	ZINC000299444526	962936169	/nfs/dbraw/zinc/93/61/69/962936169.db2.gz	QMOSOCVTEWHLAX-UHFFFAOYSA-N	-3	3	315.351	0.466	20	50		DCGDHL
O=C([O-])c1ccc(NC(=O)C(=O)NN=c2cccn[n-]2)c(F)c1	ZINC001605821191	972553642	/nfs/dbraw/zinc/55/36/42/972553642.db2.gz	WIMUXMYYYXWYNS-UHFFFAOYSA-N	-2	3	319.252	0.396	20	50		DCGDHL
O=C([O-])c1cc(C(=O)NN=c2cccn[n-]2)cc([N+](=O)[O-])c1	ZINC000738673587	978586111	/nfs/dbraw/zinc/58/61/11/978586111.db2.gz	SBQRVGBLTUVKRN-UHFFFAOYSA-N	-2	3	303.234	0.840	20	50		DCGDHL
O=C([O-])CSCCNC(=O)N[N-]C(=O)c1ccccc1F	ZINC000739863181	978657327	/nfs/dbraw/zinc/65/73/27/978657327.db2.gz	XYNNWLIVJVAAHM-UHFFFAOYSA-N	-2	3	315.326	0.588	20	50		DCGDHL
CN([N-]S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)OC(C)(C)C	ZINC001598542125	992913550	/nfs/dbraw/zinc/91/35/50/992913550.db2.gz	WOZNXLXSTQXFAL-OCAPTIKFSA-N	-2	3	308.356	0.551	20	50		DCGDHL
COC[C@](C)(NC(=O)/C(C#N)=C/c1ccc([O-])cc1)C(=O)[O-]	ZINC001599150865	998295740	/nfs/dbraw/zinc/29/57/40/998295740.db2.gz	IWMPRXSBJAVCMT-USYSOWRXSA-N	-2	3	304.302	0.905	20	50		DCGDHL
C[C@H](CC(=O)[O-])C(=O)N[N-]C(=O)c1cnn(-c2ccccc2)c1	ZINC000827303493	602160949	/nfs/dbraw/zinc/16/09/49/602160949.db2.gz	GAGWYQJUBROILL-SNVBAGLBSA-N	-2	3	316.317	0.744	20	50		DCGDHL
O=C([O-])NC1(CC(=O)NNC(=O)c2ccccc2[O-])CCC1	ZINC000832206699	604216439	/nfs/dbraw/zinc/21/64/39/604216439.db2.gz	LFTJBXUOCYSKGV-UHFFFAOYSA-N	-2	3	307.306	0.734	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-]	ZINC000833911795	605927222	/nfs/dbraw/zinc/92/72/22/605927222.db2.gz	YVNVEFGTBZBDHX-UWVGGRQHSA-N	-2	3	306.322	0.587	20	50		DCGDHL
O=C([O-])[C@@H]1CC[C@H](NC(=O)NNC(=O)c2ccccc2[O-])C1	ZINC000831072766	955551163	/nfs/dbraw/zinc/55/11/63/955551163.db2.gz	VDVUEVHYVRHORE-BDAKNGLRSA-N	-2	3	307.306	0.590	20	50		DCGDHL
CCC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F	ZINC000749141356	978688441	/nfs/dbraw/zinc/68/84/41/978688441.db2.gz	ICYDLPBRYQCMHO-UHFFFAOYSA-N	-3	3	304.299	0.552	20	50		DCGDHL
COC[C@@](C)(NC(=O)/C(C#N)=C/c1ccc([O-])cc1)C(=O)[O-]	ZINC001599150866	998295720	/nfs/dbraw/zinc/29/57/20/998295720.db2.gz	IWMPRXSBJAVCMT-XKOZXHHJSA-N	-2	3	304.302	0.905	20	50		DCGDHL
O=C([O-])NCCCC(=O)[N-][N-]S(=O)(=O)c1cccs1	ZINC000834232035	605804608	/nfs/dbraw/zinc/80/46/08/605804608.db2.gz	NJILIKJSQCUGPZ-UHFFFAOYSA-N	-3	3	307.353	0.105	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000833911131	605927097	/nfs/dbraw/zinc/92/70/97/605927097.db2.gz	UDXYEHISYFUCNX-WDEREUQCSA-N	-2	3	320.349	0.977	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)CCC2CCN(C(=O)[O-])CC2)cn1	ZINC000833944447	606046419	/nfs/dbraw/zinc/04/64/19/606046419.db2.gz	YZUDUBMLIDBJFC-UHFFFAOYSA-N	-2	3	323.353	0.351	20	50		DCGDHL
O=C([O-])c1cncc(NC(=O)NNC(=O)c2ccccc2[O-])c1	ZINC001601555694	971015948	/nfs/dbraw/zinc/01/59/48/971015948.db2.gz	MGHHBSYAYYPIQZ-UHFFFAOYSA-N	-2	3	316.273	0.952	20	50		DCGDHL
O=C([N-]NC(=O)NC1CCCC1)c1ccc(-c2nn[n-]n2)s1	ZINC000823277258	946400271	/nfs/dbraw/zinc/40/02/71/946400271.db2.gz	IGPJPCAHSVEVPD-UHFFFAOYSA-N	-2	3	321.366	0.815	20	50		DCGDHL
Cc1n[nH]cc1C(=O)[N-]NC(=O)C=Cc1ccc(C(=O)[O-])o1	ZINC001594441910	959283275	/nfs/dbraw/zinc/28/32/75/959283275.db2.gz	CNKRUUODGPFKEL-HYXAFXHYSA-N	-2	3	304.262	0.484	20	50		DCGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC001608169567	970402630	/nfs/dbraw/zinc/40/26/30/970402630.db2.gz	HBNVOUHUBZTXRY-HJTPGIPUSA-N	-2	3	302.286	0.611	20	50		DCGDHL
CCNC(=O)[N-][N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000737123994	978380300	/nfs/dbraw/zinc/38/03/00/978380300.db2.gz	QKPMWKKQXMCETM-UHFFFAOYSA-N	-3	3	301.324	0.206	20	50		DCGDHL
CCc1[nH]c(C(=O)N[N-]C(=O)c2c[nH]nc2C)c(C)c1C(=O)[O-]	ZINC000737245425	978391292	/nfs/dbraw/zinc/39/12/92/978391292.db2.gz	YDHTZUGOMPVYCM-UHFFFAOYSA-N	-2	3	319.321	0.690	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)c2cccc(NC(=O)[O-])c2)cn1	ZINC000739022033	978613312	/nfs/dbraw/zinc/61/33/12/978613312.db2.gz	GVCOWYFGBDZJSJ-UHFFFAOYSA-N	-2	3	303.278	0.585	20	50		DCGDHL
O=C([O-])[C@H]1C[C@H]1C(=O)N[N-]C(=O)c1cnn(-c2ccccc2)c1	ZINC000739455290	978641415	/nfs/dbraw/zinc/64/14/15/978641415.db2.gz	YMSADJGFRQMZAS-NEPJUHHUSA-N	-2	3	314.301	0.354	20	50		DCGDHL
CCCCNC(=O)[N-][N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000751271374	978692075	/nfs/dbraw/zinc/69/20/75/978692075.db2.gz	IVMZSFXKUSOLTC-UHFFFAOYSA-N	-3	3	304.328	0.006	20	50		DCGDHL
COc1cc[n-]c(=NNC(=O)C=Cc2cc(C(=O)[O-])co2)n1	ZINC001599722170	991558571	/nfs/dbraw/zinc/55/85/71/991558571.db2.gz	AYEQUPOEFUHPRV-IHWYPQMZSA-N	-2	3	304.262	0.933	20	50		DCGDHL
CC(C)NC(=O)[N-][N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000826975892	601859438	/nfs/dbraw/zinc/85/94/38/601859438.db2.gz	DODUDXATDVLXAD-UHFFFAOYSA-N	-3	3	319.314	0.425	20	50		DCGDHL
CCCNC(=O)[N-][N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000829513010	601859984	/nfs/dbraw/zinc/85/99/84/601859984.db2.gz	GRACSTODVDRVTM-UHFFFAOYSA-N	-3	3	319.314	0.426	20	50		DCGDHL
Cc1n[nH]cc1C(=O)[N-]NC(=O)C1(CNC(=O)[O-])CCCC1	ZINC000830677237	603664578	/nfs/dbraw/zinc/66/45/78/603664578.db2.gz	DXXNTNLYZXNSGJ-UHFFFAOYSA-N	-2	3	309.326	0.307	20	50		DCGDHL
CCNC(=O)[N-][N-]S(=O)(=O)c1ccc(C)cc1C(=O)[O-]	ZINC000833656357	605185417	/nfs/dbraw/zinc/18/54/17/605185417.db2.gz	CUBDLUZBEJYLSI-UHFFFAOYSA-N	-3	3	301.324	0.206	20	50		DCGDHL
CC(C)(C)CC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000833422956	605186973	/nfs/dbraw/zinc/18/69/73/605186973.db2.gz	QTEYYJJLPSSWPH-UHFFFAOYSA-N	-3	3	304.324	0.724	20	50		DCGDHL
O=C([N-]NC(=O)c1cccnc1)c1ccc(-c2nn[n-]n2)s1	ZINC000823277858	606517525	/nfs/dbraw/zinc/51/75/25/606517525.db2.gz	ZJDXCRFXYHXSFE-UHFFFAOYSA-N	-2	3	315.318	0.398	20	50		DCGDHL
Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]NC(=O)C(C)C	ZINC000737301124	945035051	/nfs/dbraw/zinc/03/50/51/945035051.db2.gz	HXHLBIXOONHZGA-UHFFFAOYSA-N	-2	3	324.366	0.141	20	50		DCGDHL
O=C([O-])COCC(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl	ZINC001602078191	971144349	/nfs/dbraw/zinc/14/43/49/971144349.db2.gz	HFBIRISANACHON-UHFFFAOYSA-N	-2	3	321.116	0.856	20	50		DCGDHL
O=C(CC(F)(F)F)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1	ZINC000822934883	946222385	/nfs/dbraw/zinc/22/23/85/946222385.db2.gz	DWBQHRBMJCRJGK-UHFFFAOYSA-N	-2	3	320.256	0.642	20	50		DCGDHL
O=C([N-]NC(=O)NCC1CC1)c1ccc(-c2nn[n-]n2)s1	ZINC000823176665	946338241	/nfs/dbraw/zinc/33/82/41/946338241.db2.gz	WKSJEXUJURLSGG-UHFFFAOYSA-N	-2	3	307.339	0.282	20	50		DCGDHL
O=C([N-]NC(=O)C1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000823273729	946389724	/nfs/dbraw/zinc/38/97/24/946389724.db2.gz	WCIMWOIOJPCEET-UHFFFAOYSA-N	-2	3	308.248	0.316	20	50		DCGDHL
CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000298835080	962930569	/nfs/dbraw/zinc/93/05/69/962930569.db2.gz	CFQNBANDWVPYGF-SSDOTTSWSA-N	-3	3	318.326	0.880	20	50		DCGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC001608169569	970402414	/nfs/dbraw/zinc/40/24/14/970402414.db2.gz	HBNVOUHUBZTXRY-SVTZGKHISA-N	-2	3	302.286	0.611	20	50		DCGDHL
O=C([O-])N1CCC[C@@H](NC(=O)NN=c2cncc(Cl)[n-]2)C1	ZINC000739454750	978640292	/nfs/dbraw/zinc/64/02/92/978640292.db2.gz	UFVXJDDZRJQJJN-SSDOTTSWSA-N	-2	3	314.733	0.899	20	50		DCGDHL
O=C([O-])c1csc(S(=O)(=O)[N-][N-]C(=O)C2CCCC2)c1	ZINC000914845931	982660465	/nfs/dbraw/zinc/66/04/65/982660465.db2.gz	DAAPQXPVEDMOCO-UHFFFAOYSA-N	-3	3	318.376	0.946	20	50		DCGDHL
CC(=NNC(=O)C(=O)[O-])c1ccc([O-])c(CN2CCOCC2)c1	ZINC001589010630	984981322	/nfs/dbraw/zinc/98/13/22/984981322.db2.gz	DUIGMAGVVUTJON-UHFFFAOYSA-N	-2	3	321.333	0.149	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c([O-])c1	ZINC001594346782	999313820	/nfs/dbraw/zinc/31/38/20/999313820.db2.gz	IDYJTQWPFCWKLU-VHSXEESVSA-N	-2	3	306.318	0.963	20	50		DCGDHL
C[C@H](NC(=S)N[N-]C(=O)c1cccc(C(=O)[O-])n1)C1CC1	ZINC000827710989	601343073	/nfs/dbraw/zinc/34/30/73/601343073.db2.gz	WPZZNOWTKCQXEY-ZETCQYMHSA-N	-2	3	308.363	0.687	20	50		DCGDHL
O=C([O-])NC1(C(=O)N[N-]C(=O)c2ccc3ccccc3n2)CC1	ZINC000832176125	604417506	/nfs/dbraw/zinc/41/75/06/604417506.db2.gz	SIIFABXBOJTPOK-UHFFFAOYSA-N	-2	3	314.301	0.796	20	50		DCGDHL
CC(C)C[C@H](NC(=O)[O-])C(=O)NNC(=O)c1ccccc1[O-]	ZINC000824299278	605153098	/nfs/dbraw/zinc/15/30/98/605153098.db2.gz	CLVDOBYPKSUMDC-JTQLQIEISA-N	-2	3	309.322	0.836	20	50		DCGDHL
O=C([O-])NCC(=O)N[N-]C(=O)c1cccnc1SC(F)F	ZINC000834203501	605458832	/nfs/dbraw/zinc/45/88/32/605458832.db2.gz	VKKSBTUMWUNXJR-UHFFFAOYSA-N	-2	3	320.277	0.425	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000833911743	605927123	/nfs/dbraw/zinc/92/71/23/605927123.db2.gz	XVDJEZMPLARALJ-SNVBAGLBSA-N	-2	3	306.322	0.541	20	50		DCGDHL
O=C([O-])Cn1ccc(NC(=O)NN=c2ncc(Cl)c[n-]2)n1	ZINC001602165351	971159594	/nfs/dbraw/zinc/15/95/94/971159594.db2.gz	GURJQUHTEBQAMG-UHFFFAOYSA-N	-2	3	311.689	0.560	20	50		DCGDHL
Cc1cc(C(=O)N[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)[nH]n1	ZINC000822176265	945969342	/nfs/dbraw/zinc/96/93/42/945969342.db2.gz	HSYLAYWLUYTYHF-UHFFFAOYSA-N	-2	3	318.322	0.035	20	50		DCGDHL
O=C([O-])c1ccccc1CNC(=O)N[N-]C(=O)c1cn[nH]c1	ZINC001594772097	953569609	/nfs/dbraw/zinc/56/96/09/953569609.db2.gz	RKHVSYBEEIYKBX-UHFFFAOYSA-N	-2	3	303.278	0.252	20	50		DCGDHL
O=C([O-])CCCCCNC(=O)NNC(=O)c1ccccc1[O-]	ZINC000819401270	955444432	/nfs/dbraw/zinc/44/44/32/955444432.db2.gz	SAZBZNZHRGOWQH-UHFFFAOYSA-N	-2	3	309.322	0.981	20	50		DCGDHL
O=C([O-])c1cc(NC(=O)N[N-]C(=O)CC(F)(F)F)ccn1	ZINC001574516636	961848991	/nfs/dbraw/zinc/84/89/91/961848991.db2.gz	TUWASYMRTGCMAS-UHFFFAOYSA-N	-2	3	306.200	0.885	20	50		DCGDHL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)CC(C)C	ZINC000266743468	962757463	/nfs/dbraw/zinc/75/74/63/962757463.db2.gz	ADNIRUVFIXFRNS-UHFFFAOYSA-N	-3	3	304.324	0.642	20	50		DCGDHL
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000736242027	978312824	/nfs/dbraw/zinc/31/28/24/978312824.db2.gz	PFPAHXYSHRHSKD-UHFFFAOYSA-N	-3	3	318.326	0.880	20	50		DCGDHL
CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)[C@H]2C[C@H]2C(=O)[O-])o1	ZINC000737088017	978378494	/nfs/dbraw/zinc/37/84/94/978378494.db2.gz	LJEJXRXDTXNXCO-WDEREUQCSA-N	-2	3	323.349	0.603	20	50		DCGDHL
Cc1oc(S(=O)(=O)[N-][N-]C(=O)CC(C)C)cc1C(=O)[O-]	ZINC000833027333	601231396	/nfs/dbraw/zinc/23/13/96/601231396.db2.gz	RAGWGTOYJNKOJF-UHFFFAOYSA-N	-3	3	304.324	0.642	20	50		DCGDHL
O=C([O-])N[C@@H]1CCC[C@H](C(=O)NNC(=O)c2ccccc2[O-])C1	ZINC000832325736	603436245	/nfs/dbraw/zinc/43/62/45/603436245.db2.gz	OAKZLHBSWRUIDF-VHSXEESVSA-N	-2	3	321.333	0.980	20	50		DCGDHL
Cc1ccc(C(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)o1	ZINC000826281856	607748900	/nfs/dbraw/zinc/74/89/00/607748900.db2.gz	MOGPGEAMDYKQJX-UHFFFAOYSA-N	-2	3	301.266	0.171	20	50		DCGDHL
Cc1ccc(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)o1	ZINC000826281856	607748901	/nfs/dbraw/zinc/74/89/01/607748901.db2.gz	MOGPGEAMDYKQJX-UHFFFAOYSA-N	-2	3	301.266	0.171	20	50		DCGDHL
O=C([O-])CCCCNC(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1	ZINC000821518961	955511726	/nfs/dbraw/zinc/51/17/26/955511726.db2.gz	WVAUXDCBTJYASY-UHFFFAOYSA-N	-2	3	324.293	0.794	20	50		DCGDHL
COc1ncc[n-]c1=NNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001594159811	958873721	/nfs/dbraw/zinc/87/37/21/958873721.db2.gz	YEBNKVJRKXUFKI-BDAKNGLRSA-N	-2	3	310.310	0.198	20	50		DCGDHL
Cc1cc(S(=O)(=O)[N-][N-]C(=O)NC(C)C)ccc1C(=O)[O-]	ZINC000285134414	962879779	/nfs/dbraw/zinc/87/97/79/962879779.db2.gz	OCVAIEXYTQYPER-UHFFFAOYSA-N	-3	3	315.351	0.594	20	50		DCGDHL
O=C([O-])c1ccc(OCCNC(=O)NN=c2cccn[n-]2)cc1	ZINC000739426713	978634714	/nfs/dbraw/zinc/63/47/14/978634714.db2.gz	NEACFMGTPZBREO-UHFFFAOYSA-N	-2	3	317.305	0.880	20	50		DCGDHL
CN(C)C(=O)[N-][N-]S(=O)(=O)c1ccc(C=CC(=O)[O-])cc1	ZINC000830563114	601327949	/nfs/dbraw/zinc/32/79/49/601327949.db2.gz	GCKDGLHGWBTHEL-YVMONPNESA-N	-3	3	313.335	0.249	20	50		DCGDHL
O=C([O-])c1c(F)cccc1S(=O)(=O)[N-][N-]C(=O)C1CCC1	ZINC000833295598	601862286	/nfs/dbraw/zinc/86/22/86/601862286.db2.gz	ZWODDOFRDRAWPY-UHFFFAOYSA-N	-3	3	316.310	0.634	20	50		DCGDHL
O=C([O-])N1CC[C@](F)(C(=O)NNC(=O)c2ccccc2[O-])C1	ZINC000831736622	603822399	/nfs/dbraw/zinc/82/23/99/603822399.db2.gz	QGNOUGIOIQDMIW-CYBMUJFWSA-N	-2	3	311.269	0.245	20	50		DCGDHL
NC(=O)c1ccc(=NNC(=O)c2ccc(C(=O)[O-])c(F)c2)[n-]n1	ZINC000833086587	604311890	/nfs/dbraw/zinc/31/18/90/604311890.db2.gz	ORHOBUZKZZDEOB-UHFFFAOYSA-N	-2	3	319.252	0.170	20	50		DCGDHL
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC000833421726	604744818	/nfs/dbraw/zinc/74/48/18/604744818.db2.gz	AFGHBKDQCVODAJ-UHFFFAOYSA-N	-3	3	318.326	0.880	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)C[C@@H]1CCCN1C(=O)[O-]	ZINC000833910868	605926297	/nfs/dbraw/zinc/92/62/97/605926297.db2.gz	PUFKQEYMFIFTIY-JTQLQIEISA-N	-2	3	306.322	0.684	20	50		DCGDHL
Cc1ccc(C(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)nc2)o1	ZINC000822226205	946006053	/nfs/dbraw/zinc/00/60/53/946006053.db2.gz	HTNJIROYQZHHNX-UHFFFAOYSA-N	-2	3	313.277	0.238	20	50		DCGDHL
Cc1ccc(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)nc2)o1	ZINC000822226205	946006067	/nfs/dbraw/zinc/00/60/67/946006067.db2.gz	HTNJIROYQZHHNX-UHFFFAOYSA-N	-2	3	313.277	0.238	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)[C@@](C)(C#N)CC(=O)[O-])c([O-])c1	ZINC000821064103	955487514	/nfs/dbraw/zinc/48/75/14/955487514.db2.gz	SFPQPCFOFLLRTM-CQSZACIVSA-N	-2	3	305.290	0.466	20	50		DCGDHL
CC[C@H](C)C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000266727276	962756295	/nfs/dbraw/zinc/75/62/95/962756295.db2.gz	NGAMDDZFTVLXGD-ZETCQYMHSA-N	-3	3	318.326	0.880	20	50		DCGDHL
CC(C)CC(=O)[N-][N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000267280512	962763838	/nfs/dbraw/zinc/76/38/38/962763838.db2.gz	VDPUFSJKPJZKFM-UHFFFAOYSA-N	-3	3	318.326	0.880	20	50		DCGDHL
CN(CC(=O)N[N-]C(=O)c1cnn(-c2ccccc2)c1)C(=O)[O-]	ZINC000737393138	978403768	/nfs/dbraw/zinc/40/37/68/978403768.db2.gz	GVEGBWRLHBUZEM-UHFFFAOYSA-N	-2	3	317.305	0.243	20	50		DCGDHL
CC(=O)Nc1cncc(C(=O)[N-]NC(=O)C[C@@H](C)CC(=O)[O-])c1	ZINC001589222969	985734987	/nfs/dbraw/zinc/73/49/87/985734987.db2.gz	IHUFIZGUYMCKKX-MRVPVSSYSA-N	-2	3	322.321	0.302	20	50		DCGDHL
CCCCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000829401352	601232650	/nfs/dbraw/zinc/23/26/50/601232650.db2.gz	FNUOZKYCCMYUPL-UHFFFAOYSA-N	-3	3	319.339	0.579	20	50		DCGDHL
CCC(=O)[N-][N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000828570372	601827873	/nfs/dbraw/zinc/82/78/73/601827873.db2.gz	BBWAIVZZEFOPGI-UHFFFAOYSA-N	-3	3	306.727	0.758	20	50		DCGDHL
CC(C)CCC(=O)[N-][N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000826844588	601839410	/nfs/dbraw/zinc/83/94/10/601839410.db2.gz	BMTMCEVLEJCVPP-UHFFFAOYSA-N	-3	3	321.380	0.587	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)c([O-])c1	ZINC000830225150	603497965	/nfs/dbraw/zinc/49/79/65/603497965.db2.gz	GOMXSQWDVWIVDP-VHSXEESVSA-N	-2	3	321.333	0.898	20	50		DCGDHL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1ccc2cc[nH]c2n1	ZINC000834229947	605700684	/nfs/dbraw/zinc/70/06/84/605700684.db2.gz	LHACIOFNFDRLHH-UHFFFAOYSA-N	-2	3	305.294	0.372	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)C[C@H]1CCCN1C(=O)[O-]	ZINC000833910870	605926460	/nfs/dbraw/zinc/92/64/60/605926460.db2.gz	PUFKQEYMFIFTIY-SNVBAGLBSA-N	-2	3	306.322	0.684	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)C1(NC(=O)[O-])CCCC1	ZINC000833911815	605926999	/nfs/dbraw/zinc/92/69/99/605926999.db2.gz	ZKFARJHAOJKAQD-UHFFFAOYSA-N	-2	3	306.322	0.731	20	50		DCGDHL
NC(=O)c1ccc(=NNC(=O)c2ccc(C(=O)[O-])cc2)[n-]n1	ZINC000821353189	955500836	/nfs/dbraw/zinc/50/08/36/955500836.db2.gz	NNPREEGWSPSWPD-UHFFFAOYSA-N	-2	3	301.262	0.031	20	50		DCGDHL
CC(C)C(=O)[N-][N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000013262069	957000017	/nfs/dbraw/zinc/00/00/17/957000017.db2.gz	NRYLSYWRPMQZOG-UHFFFAOYSA-N	-3	3	304.299	0.489	20	50		DCGDHL
Cc1n[nH]cc1C(=O)[N-]NC(=O)c1coc(C=CC(=O)[O-])c1	ZINC001574416167	961317881	/nfs/dbraw/zinc/31/78/81/961317881.db2.gz	TXGINDVEVSOEBS-IHWYPQMZSA-N	-2	3	304.262	0.484	20	50		DCGDHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)N(C)C)c1F	ZINC000267294950	962763152	/nfs/dbraw/zinc/76/31/52/962763152.db2.gz	YVXIQYQJDNYFLX-UHFFFAOYSA-N	-3	3	319.314	0.297	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)c2ccc(C(=O)[O-])nc2)c([O-])c1	ZINC001605252799	973015791	/nfs/dbraw/zinc/01/57/91/973015791.db2.gz	GYIWWHVSZYXOTK-UHFFFAOYSA-N	-2	3	315.285	0.869	20	50		DCGDHL
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)NN=c1cccn[n-]1	ZINC000826127273	604892506	/nfs/dbraw/zinc/89/25/06/604892506.db2.gz	SFKANYAFBMMFET-RKDXNWHRSA-N	-2	3	324.341	0.606	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)CC[C@@H]2CCCN2C(=O)[O-])cn1	ZINC000833943372	605472611	/nfs/dbraw/zinc/47/26/11/605472611.db2.gz	JYCMFMXXXIJEOF-JTQLQIEISA-N	-2	3	309.326	0.104	20	50		DCGDHL
O=C([O-])N1CCC(NC(=O)NN=Cc2ccc([O-])cn2)CC1	ZINC000834044537	606053621	/nfs/dbraw/zinc/05/36/21/606053621.db2.gz	DUKVFHXRZHYMDT-UHFFFAOYSA-N	-2	3	307.310	0.563	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)Nc2ccccc2CC(=O)[O-])cn1	ZINC001611277528	970967919	/nfs/dbraw/zinc/96/79/19/970967919.db2.gz	MJSJXBGAXNHLMU-UHFFFAOYSA-N	-2	3	317.305	0.514	20	50		DCGDHL
Cc1ccccc1C(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1	ZINC000737415367	945062526	/nfs/dbraw/zinc/06/25/26/945062526.db2.gz	OVGGRLCRXOHBSI-UHFFFAOYSA-N	-2	3	323.316	0.645	20	50		DCGDHL
O=C([O-])c1ccc(C(=O)[N-]NC(=O)Cc2ccccn2)nc1	ZINC000739350205	955254200	/nfs/dbraw/zinc/25/42/00/955254200.db2.gz	UTTRLVOOHVUUSH-UHFFFAOYSA-N	-2	3	300.274	0.179	20	50		DCGDHL
CCC(CC)(CNC(=O)N[N-]C(=O)c1cnn(C)c1)C(=O)[O-]	ZINC000818626792	955415942	/nfs/dbraw/zinc/41/59/42/955415942.db2.gz	JPIKIADDWKBJCP-UHFFFAOYSA-N	-2	3	311.342	0.255	20	50		DCGDHL
CC(C)CC(=O)[N-][N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000736401355	978330035	/nfs/dbraw/zinc/33/00/35/978330035.db2.gz	HIRZPUVSWPLEFF-UHFFFAOYSA-N	-3	3	318.326	0.880	20	50		DCGDHL
CC(C)C(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000743250808	978677141	/nfs/dbraw/zinc/67/71/41/978677141.db2.gz	JQDCYDLMAWPODI-UHFFFAOYSA-N	-3	3	304.299	0.489	20	50		DCGDHL
Cc1cc(C)[n-]c(=NNC(=O)NCC2(C(=O)[O-])CCOCC2)n1	ZINC000831068371	979026175	/nfs/dbraw/zinc/02/61/75/979026175.db2.gz	SXGFFRJVUGTAFF-UHFFFAOYSA-N	-2	3	323.353	0.601	20	50		DCGDHL
CC(=NNC(=O)c1ccc(C)cc1[O-])c1cn(CC(=O)[O-])nn1	ZINC000825804655	604785378	/nfs/dbraw/zinc/78/53/78/604785378.db2.gz	RIWNGAJHGVKCFL-UHFFFAOYSA-N	-2	3	317.305	0.531	20	50		DCGDHL
CC(C)(C)[C@@H](NCC(=O)N[N-]C(=O)c1cccs1)C(=O)[O-]	ZINC000833424409	605241679	/nfs/dbraw/zinc/24/16/79/605241679.db2.gz	UQBWVOBBIZKZAD-JTQLQIEISA-N	-2	3	313.379	0.598	20	50		DCGDHL
CC(C)(C)C(=O)N[N-]C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000819899511	945310093	/nfs/dbraw/zinc/31/00/93/945310093.db2.gz	VNGAWRZDMNMHOP-UHFFFAOYSA-N	-2	3	324.291	0.952	20	50		DCGDHL
CCCCNC(=O)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1	ZINC000821072584	945630315	/nfs/dbraw/zinc/63/03/15/945630315.db2.gz	UFJKBBSQQNLPMF-UHFFFAOYSA-N	-2	3	309.355	0.672	20	50		DCGDHL
CO[C@@H](C(=O)[O-])C(=O)NNc1nc2ccccc2[n-]c1=S	ZINC001593911435	955967912	/nfs/dbraw/zinc/96/79/12/955967912.db2.gz	LCPZOYCKLSTBCN-MRVPVSSYSA-N	-2	3	308.319	0.835	20	50		DCGDHL
COc1ncc[n-]c1=NNC(=O)Nc1cccnc1C(=O)[O-]	ZINC001604911585	972460194	/nfs/dbraw/zinc/46/01/94/972460194.db2.gz	FGIRJCQLVZGQCZ-UHFFFAOYSA-N	-2	3	304.266	0.727	20	50		DCGDHL
COc1ncc[n-]c1=NNC(=O)C=Cc1ccc(C(=O)[O-])o1	ZINC001604912579	972464804	/nfs/dbraw/zinc/46/48/04/972464804.db2.gz	YLVTYKVXXVSCEN-HWKANZROSA-N	-2	3	304.262	0.933	20	50		DCGDHL
CC[C@H](C)C(=O)[N-][N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000736866916	978363094	/nfs/dbraw/zinc/36/30/94/978363094.db2.gz	BHQPFSOJSHFCMS-ZETCQYMHSA-N	-3	3	318.326	0.880	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)CCc2ccc(C(=O)[O-])cc2)cn1	ZINC000739023718	978613805	/nfs/dbraw/zinc/61/38/05/978613805.db2.gz	YGSNKBLSIINHBX-UHFFFAOYSA-N	-2	3	316.317	0.512	20	50		DCGDHL
CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000828700586	978987031	/nfs/dbraw/zinc/98/70/31/978987031.db2.gz	OOEYCVZALYZAAO-ZCFIWIBFSA-N	-3	3	304.324	0.642	20	50		DCGDHL
CC(=O)Nc1cncc(C(=O)[N-]NC(=O)C[C@H](C)CC(=O)[O-])c1	ZINC001589222970	985735202	/nfs/dbraw/zinc/73/52/02/985735202.db2.gz	IHUFIZGUYMCKKX-QMMMGPOBSA-N	-2	3	322.321	0.302	20	50		DCGDHL
C[C@]1(C(=O)N[N-]C(=O)c2ccccc2F)CCN(C(=O)[O-])C1	ZINC000825672720	603862161	/nfs/dbraw/zinc/86/21/61/603862161.db2.gz	ILSSDLKWULPIIE-AWEZNQCLSA-N	-2	3	309.297	0.977	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)[O-])c([O-])c1	ZINC000830225820	603999636	/nfs/dbraw/zinc/99/96/36/603999636.db2.gz	YILVJMKPGTYCSR-JTQLQIEISA-N	-2	3	307.306	0.604	20	50		DCGDHL
COc1cc[n-]c(=NNC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)n1	ZINC000832637656	604281583	/nfs/dbraw/zinc/28/15/83/604281583.db2.gz	XODCNLXBANZCQU-UHFFFAOYSA-N	-2	3	305.294	0.885	20	50		DCGDHL
Cc1cc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)ncn1	ZINC000826259693	607981810	/nfs/dbraw/zinc/98/18/10/607981810.db2.gz	AHFPOGUFCCTFIS-UHFFFAOYSA-N	-2	3	324.304	0.040	20	50		DCGDHL
Cc1cc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)ncn1	ZINC000826259693	607981811	/nfs/dbraw/zinc/98/18/11/607981811.db2.gz	AHFPOGUFCCTFIS-UHFFFAOYSA-N	-2	3	324.304	0.040	20	50		DCGDHL
Cc1nccc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)n1	ZINC000737502820	945084012	/nfs/dbraw/zinc/08/40/12/945084012.db2.gz	YHGJFXYHTGAOGX-UHFFFAOYSA-N	-2	3	324.304	0.040	20	50		DCGDHL
Cc1nccc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)n1	ZINC000737502820	945084018	/nfs/dbraw/zinc/08/40/18/945084018.db2.gz	YHGJFXYHTGAOGX-UHFFFAOYSA-N	-2	3	324.304	0.040	20	50		DCGDHL
CC(C)(C(=O)[O-])C(=O)N[N-]C(=O)c1cnn(-c2ccccc2)c1	ZINC001602836954	971665056	/nfs/dbraw/zinc/66/50/56/971665056.db2.gz	YDIVEQXCLIZLOP-UHFFFAOYSA-N	-2	3	316.317	0.744	20	50		DCGDHL
CO[C@](C)(C(=O)[O-])C(=O)N[N-]C(=O)c1ccc2ccccc2n1	ZINC001593926109	956128502	/nfs/dbraw/zinc/12/85/02/956128502.db2.gz	BXYKRGGADQUKIN-HNNXBMFYSA-N	-2	3	317.301	0.486	20	50		DCGDHL
COCCN(CC(=O)[O-])C(=O)/C(C#N)=C/c1ccc([O-])cc1	ZINC001593997085	956904670	/nfs/dbraw/zinc/90/46/70/956904670.db2.gz	DWMGBYIJGGJGRR-XYOKQWHBSA-N	-2	3	304.302	0.859	20	50		DCGDHL
O=C([O-])[C@@H]1C[C@H]1C(=O)N[N-]C(=O)c1cnn(-c2ccccc2)c1	ZINC000739455297	978641289	/nfs/dbraw/zinc/64/12/89/978641289.db2.gz	YMSADJGFRQMZAS-VXGBXAGGSA-N	-2	3	314.301	0.354	20	50		DCGDHL
CC[C@H](C)C(=O)[N-][N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-]	ZINC001594865734	982169796	/nfs/dbraw/zinc/16/97/96/982169796.db2.gz	JRVCXZFTZXJJEG-LURJTMIESA-N	-3	3	318.351	0.950	20	50		DCGDHL
O=C([O-])N(CC(=O)N[N-]C(=O)c1ccccc1F)CC1CC1	ZINC000831464470	603222858	/nfs/dbraw/zinc/22/28/58/603222858.db2.gz	RHWYXSSUQPTCID-UHFFFAOYSA-N	-2	3	309.297	0.977	20	50		DCGDHL
CC(C)(CNC(=O)N[N-]C(=O)c1ccccc1F)NC(=O)[O-]	ZINC000823941637	603459966	/nfs/dbraw/zinc/45/99/66/603459966.db2.gz	TYCITVMVWQCQCS-UHFFFAOYSA-N	-2	3	312.301	0.816	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)[C@]2(C)CCN(C(=O)[O-])C2)c([O-])c1	ZINC000830225134	604061799	/nfs/dbraw/zinc/06/17/99/604061799.db2.gz	GHFICPNMZRGOJA-OAHLLOKOSA-N	-2	3	321.333	0.852	20	50		DCGDHL
O=C([O-])N[C@@H](CC(F)F)C(=O)NNC(=O)c1ccccc1[O-]	ZINC000834136149	605307216	/nfs/dbraw/zinc/30/72/16/605307216.db2.gz	QOPZLXWPTPFJHR-ZETCQYMHSA-N	-2	3	317.248	0.445	20	50		DCGDHL
O=C([O-])NCC(=O)NN=Cc1cc(Br)ccc1[O-]	ZINC000834199900	605383214	/nfs/dbraw/zinc/38/32/14/605383214.db2.gz	SIMVFDVZFXRNMT-UHFFFAOYSA-N	-2	3	316.111	0.872	20	50		DCGDHL
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1cc2ccccc2o1	ZINC000834203803	605392712	/nfs/dbraw/zinc/39/27/12/605392712.db2.gz	CNRLYKGDLJMAER-UHFFFAOYSA-N	-3	3	313.291	0.010	20	50		DCGDHL
O=C([O-])NN=C([O-])NCCOc1cccc(C(F)(F)F)n1	ZINC000834250439	605527059	/nfs/dbraw/zinc/52/70/59/605527059.db2.gz	IXEMSNCHLPQZIR-UHFFFAOYSA-N	-2	3	308.216	0.961	20	50		DCGDHL
CC(C)C(=O)N[N-]C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000820012253	945329353	/nfs/dbraw/zinc/32/93/53/945329353.db2.gz	XDKASJNXWFDBPV-UHFFFAOYSA-N	-2	3	310.264	0.562	20	50		DCGDHL
Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]NC(=O)C(C)C	ZINC000737224806	945015943	/nfs/dbraw/zinc/01/59/43/945015943.db2.gz	HBUPHYCPZQDVRY-UHFFFAOYSA-N	-2	3	324.366	0.141	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)NCc2ccc(C(=O)[O-])cc2)cn1	ZINC000738404307	955239895	/nfs/dbraw/zinc/23/98/95/955239895.db2.gz	AQCIAHWAUDUGFW-UHFFFAOYSA-N	-2	3	317.305	0.263	20	50		DCGDHL
CC(C)CC(=O)[N-][N-]S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000298854842	962931515	/nfs/dbraw/zinc/93/15/15/962931515.db2.gz	KYPQNXRLLJPBDM-UHFFFAOYSA-N	-3	3	306.365	0.802	20	50		DCGDHL
Cc1cccc(C(=O)[N-]NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)n1	ZINC001605320374	973153800	/nfs/dbraw/zinc/15/38/00/973153800.db2.gz	JMVMYVBEWVWJCB-GHMZBOCLSA-N	-2	3	321.333	0.421	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)c2coc(/C=C\C(=O)[O-])c2)cn1	ZINC001605481430	973601757	/nfs/dbraw/zinc/60/17/57/973601757.db2.gz	ZKYUMFUJFVDJJY-IHWYPQMZSA-N	-2	3	304.262	0.186	20	50		DCGDHL
Cc1n[nH]cc1C(=O)[N-]NC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000738827694	978603471	/nfs/dbraw/zinc/60/34/71/978603471.db2.gz	NSCVZNPMCISONO-UHFFFAOYSA-N	-2	3	318.289	0.256	20	50		DCGDHL
Cc1ccc(C(=O)[N-][N-]S(=O)(=O)c2ccccc2C(=O)[O-])o1	ZINC000832913758	979055451	/nfs/dbraw/zinc/05/54/51/979055451.db2.gz	XUKMUPYXZIKUCR-UHFFFAOYSA-N	-3	3	324.314	0.910	20	50		DCGDHL
CC(C)(CS(=O)(=O)NNC(=O)c1ccccc1[O-])C(=O)[O-]	ZINC001590818183	990649464	/nfs/dbraw/zinc/64/94/64/990649464.db2.gz	ISISORBSEOFSNY-UHFFFAOYSA-N	-2	3	316.335	0.067	20	50		DCGDHL
C[C@]1(C(=O)NNC(=O)c2ccccc2[O-])CCN(C(=O)[O-])C1	ZINC000825672230	604058186	/nfs/dbraw/zinc/05/81/86/604058186.db2.gz	AJTMBZNCHQZCMR-AWEZNQCLSA-N	-2	3	307.306	0.543	20	50		DCGDHL
O=C([O-])N1CC(C(=O)N[N-]C(=O)c2ccc3ccccc3n2)C1	ZINC000834046192	605508675	/nfs/dbraw/zinc/50/86/75/605508675.db2.gz	YTIMDVXKCPCYIR-UHFFFAOYSA-N	-2	3	314.301	0.606	20	50		DCGDHL
O=C(Cc1cccc(-c2nn[n-]n2)c1)NN=c1ncc(F)c[n-]1	ZINC000826423359	608038215	/nfs/dbraw/zinc/03/82/15/608038215.db2.gz	LEGNNSVFUKHBHM-UHFFFAOYSA-N	-2	3	314.284	0.482	20	50		DCGDHL
Cc1ccc(C(=O)[N-]NC(=O)c2cc(-c3nnn[n-]3)cn2C)o1	ZINC000822226061	946003275	/nfs/dbraw/zinc/00/32/75/946003275.db2.gz	AQVZWNHXFGIKCF-UHFFFAOYSA-N	-2	3	315.293	0.181	20	50		DCGDHL
Cc1ccc(C(=O)[N-]NC(=O)c2cc(-c3nn[n-]n3)cn2C)o1	ZINC000822226061	946003283	/nfs/dbraw/zinc/00/32/83/946003283.db2.gz	AQVZWNHXFGIKCF-UHFFFAOYSA-N	-2	3	315.293	0.181	20	50		DCGDHL
COc1cc[n-]c(=NNC(=O)c2ccc(OCC(=O)[O-])cc2)n1	ZINC001599722183	991558759	/nfs/dbraw/zinc/55/87/59/991558759.db2.gz	BNEGKFIAAZMRGE-UHFFFAOYSA-N	-2	3	318.289	0.706	20	50		DCGDHL
C[C@H](OC(=O)/C(C#N)=C/c1ccc([O-])cc1)C(=O)NCC(=O)[O-]	ZINC000827802662	601590121	/nfs/dbraw/zinc/59/01/21/601590121.db2.gz	GVVCSNQKSGQUMI-CAXXOGMASA-N	-2	3	318.285	0.432	20	50		DCGDHL
O=C([O-])N1CCC[C@@H]1CC(=O)NNC(=O)c1ccccc1[O-]	ZINC000831340166	603435761	/nfs/dbraw/zinc/43/57/61/603435761.db2.gz	SHUKFASRTKLIEX-SECBINFHSA-N	-2	3	307.306	0.686	20	50		DCGDHL
CC(C)(CNC(=O)NN=c1cncc(Cl)[n-]1)NC(=O)[O-]	ZINC000823941166	603451468	/nfs/dbraw/zinc/45/14/68/603451468.db2.gz	FEJMWSXHXWJEHS-UHFFFAOYSA-N	-2	3	302.722	0.802	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)C[C@@H]2CCCN2C(=O)[O-])c([O-])c1	ZINC000830225164	603497612	/nfs/dbraw/zinc/49/76/12/603497612.db2.gz	HASLPTZOWDLBRZ-JTQLQIEISA-N	-2	3	321.333	0.994	20	50		DCGDHL
O=C([O-])N1CCC[C@H](n2cc(C(=O)[N-]NC(=O)C3CC3)cn2)C1	ZINC000834044613	605506782	/nfs/dbraw/zinc/50/67/82/605506782.db2.gz	GSFHKXRWLWFZCC-NSHDSACASA-N	-2	3	321.337	0.369	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)[C@]2(C)CCCCN2C(=O)[O-])cn1	ZINC000833943380	605871924	/nfs/dbraw/zinc/87/19/24/605871924.db2.gz	KHVOLZUENUUUOT-ZDUSSCGKSA-N	-2	3	309.326	0.104	20	50		DCGDHL
O=C([O-])N[C@@H](CNC(=O)NNC(=O)c1ccccc1[O-])C1CC1	ZINC000834143652	605946750	/nfs/dbraw/zinc/94/67/50/605946750.db2.gz	KTNFRYWVGOWJDU-JTQLQIEISA-N	-2	3	322.321	0.382	20	50		DCGDHL
Cc1cc(C(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)ncn1	ZINC000826260134	607980419	/nfs/dbraw/zinc/98/04/19/607980419.db2.gz	XWHWZZIOIIOZEF-UHFFFAOYSA-N	-2	3	324.304	0.040	20	50		DCGDHL
Cc1cc(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)ncn1	ZINC000826260134	607980420	/nfs/dbraw/zinc/98/04/20/607980420.db2.gz	XWHWZZIOIIOZEF-UHFFFAOYSA-N	-2	3	324.304	0.040	20	50		DCGDHL
Cc1ccoc1C(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000737442949	945068049	/nfs/dbraw/zinc/06/80/49/945068049.db2.gz	RYKNDOQGMABSEQ-UHFFFAOYSA-N	-2	3	312.289	0.843	20	50		DCGDHL
Cc1ccoc1C(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000737442949	945068057	/nfs/dbraw/zinc/06/80/57/945068057.db2.gz	RYKNDOQGMABSEQ-UHFFFAOYSA-N	-2	3	312.289	0.843	20	50		DCGDHL
O=C(Cc1cccc(-c2nnn[n-]2)c1)N[N-]C(=O)c1ccccn1	ZINC000823103844	946309663	/nfs/dbraw/zinc/30/96/63/946309663.db2.gz	MMEQOHHRLMJJDI-UHFFFAOYSA-N	-2	3	323.316	0.265	20	50		DCGDHL
O=C(Cc1cccc(-c2nn[n-]n2)c1)N[N-]C(=O)c1ccccn1	ZINC000823103844	946309674	/nfs/dbraw/zinc/30/96/74/946309674.db2.gz	MMEQOHHRLMJJDI-UHFFFAOYSA-N	-2	3	323.316	0.265	20	50		DCGDHL
C[C@H](CC(=O)[O-])NC(=O)NN=c1ncc(Br)c[n-]1	ZINC001589000698	955320833	/nfs/dbraw/zinc/32/08/33/955320833.db2.gz	CWRCQEGYFRZCIY-RXMQYKEDSA-N	-2	3	318.131	0.728	20	50		DCGDHL
Cc1n[nH]cc1C(=O)[N-]NC(=O)Nc1ccccc1CC(=O)[O-]	ZINC001594441950	959283072	/nfs/dbraw/zinc/28/30/72/959283072.db2.gz	GQHFSVRYRQXWFJ-UHFFFAOYSA-N	-2	3	317.305	0.812	20	50		DCGDHL
CC[C@H](C)C(=O)[N-][N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000298835081	962931694	/nfs/dbraw/zinc/93/16/94/962931694.db2.gz	CFQNBANDWVPYGF-ZETCQYMHSA-N	-3	3	318.326	0.880	20	50		DCGDHL
Cc1cccc(C(=O)[N-]NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)n1	ZINC001605320376	973153634	/nfs/dbraw/zinc/15/36/34/973153634.db2.gz	JMVMYVBEWVWJCB-QWRGUYRKSA-N	-2	3	321.333	0.421	20	50		DCGDHL
CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)CC(C)C	ZINC001597785549	989304222	/nfs/dbraw/zinc/30/42/22/989304222.db2.gz	LCZHDCPVQZPYIE-UHFFFAOYSA-N	-3	3	318.351	0.896	20	50		DCGDHL
O=C([O-])N[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccccc2[O-])C1	ZINC000832276330	603436003	/nfs/dbraw/zinc/43/60/03/603436003.db2.gz	AJXPYFPBKOVJBL-DTWKUNHWSA-N	-2	3	307.306	0.590	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)C(C)(C)CNC(=O)[O-])c([O-])c1	ZINC000830225160	603797512	/nfs/dbraw/zinc/79/75/12/603797512.db2.gz	GTFXHOLTHAKCLX-UHFFFAOYSA-N	-2	3	309.322	0.755	20	50		DCGDHL
NC(=O)c1ccc(=NNC(=O)c2cccc(NC(=O)[O-])c2)[n-]n1	ZINC000831234808	603803249	/nfs/dbraw/zinc/80/32/49/603803249.db2.gz	WBEGWDYSKQVDAJ-UHFFFAOYSA-N	-2	3	316.277	0.422	20	50		DCGDHL
NC(=O)c1ccc(=NNC(=O)c2ccc(NC(=O)[O-])cc2)[n-]n1	ZINC000831234630	603803268	/nfs/dbraw/zinc/80/32/68/603803268.db2.gz	SLZGUSBSDHBJFY-UHFFFAOYSA-N	-2	3	316.277	0.422	20	50		DCGDHL
O=C([O-])NCC(=O)N[N-]C(=O)c1cc(C2CCCCC2)[nH]n1	ZINC000834203672	605459051	/nfs/dbraw/zinc/45/90/51/605459051.db2.gz	VNIZTQLHTULEIC-UHFFFAOYSA-N	-2	3	309.326	0.486	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)CC[C@@H]1CCN(C(=O)[O-])C1	ZINC000833911435	605533028	/nfs/dbraw/zinc/53/30/28/605533028.db2.gz	VPJQRRMWCLLMBY-LLVKDONJSA-N	-2	3	320.349	0.931	20	50		DCGDHL
O=C([O-])N[C@@H](CNC(=O)N[N-]C(=O)c1ccccc1F)C1CC1	ZINC000834141586	605843182	/nfs/dbraw/zinc/84/31/82/605843182.db2.gz	BAIFAQWRMQUMNE-NSHDSACASA-N	-2	3	324.312	0.816	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)CC1CCN(C(=O)[O-])CC1	ZINC000833909528	605926103	/nfs/dbraw/zinc/92/61/03/605926103.db2.gz	CVPVSUKBZCGHEP-UHFFFAOYSA-N	-2	3	320.349	0.931	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000833911126	605927107	/nfs/dbraw/zinc/92/71/07/605927107.db2.gz	UDXYEHISYFUCNX-GHMZBOCLSA-N	-2	3	320.349	0.977	20	50		DCGDHL
CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000736866914	978363106	/nfs/dbraw/zinc/36/31/06/978363106.db2.gz	BHQPFSOJSHFCMS-SSDOTTSWSA-N	-3	3	318.326	0.880	20	50		DCGDHL
O=C([O-])NCCC(=O)N[N-]C(=O)c1ccc2ccccc2n1	ZINC000739937585	978658933	/nfs/dbraw/zinc/65/89/33/978658933.db2.gz	APRSJLJIHGPRJF-UHFFFAOYSA-N	-2	3	302.290	0.654	20	50		DCGDHL
O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)C2CCC2)ccc1O	ZINC000740088321	978667727	/nfs/dbraw/zinc/66/77/27/978667727.db2.gz	SKILEOUCEWEVNK-UHFFFAOYSA-N	-3	3	314.319	0.200	20	50		DCGDHL
Cc1cc(C(=O)[N-]NC(=O)NCCNC(=O)[O-])c(F)cc1F	ZINC000829961770	604056489	/nfs/dbraw/zinc/05/64/89/604056489.db2.gz	KZYFBWHZTOHJPS-UHFFFAOYSA-N	-2	3	316.264	0.485	20	50		DCGDHL
Cc1n[nH]cc1C(=O)[N-]NC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000832990518	604263608	/nfs/dbraw/zinc/26/36/08/604263608.db2.gz	DHMOZWICDBFADT-UHFFFAOYSA-N	-2	3	306.253	0.630	20	50		DCGDHL
Cc1ncsc1C(=O)[N-]NC(=O)c1c[nH]c(-c2nn[n-]n2)c1	ZINC000826331297	609457488	/nfs/dbraw/zinc/45/74/88/609457488.db2.gz	BWZVJZDVJCTGES-UHFFFAOYSA-N	-2	3	318.322	0.035	20	50		DCGDHL
C=CCO[N-]C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C	ZINC001573347363	947574819	/nfs/dbraw/zinc/57/48/19/947574819.db2.gz	CSLXKWHXPKYSNZ-WDZFZDKYSA-N	-2	3	313.321	0.654	20	50		DCGDHL
C=CCO[N-]C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C	ZINC001573347363	947574822	/nfs/dbraw/zinc/57/48/22/947574822.db2.gz	CSLXKWHXPKYSNZ-WDZFZDKYSA-N	-2	3	313.321	0.654	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cn1	ZINC001594530374	955525526	/nfs/dbraw/zinc/52/55/26/955525526.db2.gz	POQKKXIPEXOVHJ-HWKANZROSA-N	-2	3	304.262	0.186	20	50		DCGDHL
O=C([O-])CCCNC(=O)NN=c1ncc(Br)c[n-]1	ZINC000848580970	955752506	/nfs/dbraw/zinc/75/25/06/955752506.db2.gz	GWHSRTPINVCMSQ-UHFFFAOYSA-N	-2	3	318.131	0.730	20	50		DCGDHL
Cn1nc(C(=O)[O-])cc1C(=O)N[N-]C(=O)c1ccccc1F	ZINC001594568796	955861018	/nfs/dbraw/zinc/86/10/18/955861018.db2.gz	PXEBLKPPGJWBMH-UHFFFAOYSA-N	-2	3	306.253	0.332	20	50		DCGDHL
CC(C)C[C@@H](CNC(=O)N[N-]C(=O)c1cnn(C)c1)C(=O)[O-]	ZINC000818627775	969192734	/nfs/dbraw/zinc/19/27/34/969192734.db2.gz	MTVZPQVTAQNNTQ-VIFPVBQESA-N	-2	3	311.342	0.111	20	50		DCGDHL
CCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC000737029030	978373471	/nfs/dbraw/zinc/37/34/71/978373471.db2.gz	XGDHLDZKRBPWDB-UHFFFAOYSA-N	-3	3	315.351	0.596	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)[C@H](NC(=O)[O-])C(C)C)c([O-])c1	ZINC000738513339	978550758	/nfs/dbraw/zinc/55/07/58/978550758.db2.gz	KDJKBUPCNGEANC-LLVKDONJSA-N	-2	3	309.322	0.754	20	50		DCGDHL
O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)NN=c1cccn[n-]1	ZINC000832512776	603873671	/nfs/dbraw/zinc/87/36/71/603873671.db2.gz	GHIVXRNZSMCUTP-NXEZZACHSA-N	-2	3	308.342	0.929	20	50		DCGDHL
Cc1nc(C)c(CC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)c(=O)[n-]1	ZINC000833754901	604801811	/nfs/dbraw/zinc/80/18/11/604801811.db2.gz	ODJYZISAJRLSKT-UHFFFAOYSA-N	-2	3	317.305	0.578	20	50		DCGDHL
O=C([N-]NC(=O)c1ccc[nH]1)c1ccc(-c2nn[n-]n2)s1	ZINC000823277599	606520968	/nfs/dbraw/zinc/52/09/68/606520968.db2.gz	RKROKYVYVGFCEU-UHFFFAOYSA-N	-2	3	303.307	0.331	20	50		DCGDHL
O=C(CC(F)(F)F)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1	ZINC000822935711	946222301	/nfs/dbraw/zinc/22/23/01/946222301.db2.gz	MKYJQLXQFQDVNI-UHFFFAOYSA-N	-2	3	320.256	0.642	20	50		DCGDHL
O=C([O-])c1ccc(C(=O)[N-]NC(=O)NCc2ccco2)nc1	ZINC001594777362	953600401	/nfs/dbraw/zinc/60/04/01/953600401.db2.gz	SBGOMDMBEICMMO-UHFFFAOYSA-N	-2	3	304.262	0.517	20	50		DCGDHL
O=C([O-])c1ccccc1NC(=O)C(=O)NN=c1cccn[n-]1	ZINC001594781847	953636697	/nfs/dbraw/zinc/63/66/97/953636697.db2.gz	JXKNCRYITGZKOS-UHFFFAOYSA-N	-2	3	301.262	0.257	20	50		DCGDHL
O=C([O-])C[C@H]1CCCN1CC(=O)N[N-]C(=O)c1cccs1	ZINC000042162791	957403238	/nfs/dbraw/zinc/40/32/38/957403238.db2.gz	DFTBAWWXYKJIIH-SECBINFHSA-N	-2	3	311.363	0.448	20	50		DCGDHL
O=C([O-])c1ccc(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)cc1	ZINC000064940307	957639779	/nfs/dbraw/zinc/63/97/79/957639779.db2.gz	PAKILZJPHLCLQJ-UHFFFAOYSA-N	-3	3	313.335	0.287	20	50		DCGDHL
O=C([O-])[C@@H]1CC[C@H]1C(=O)NN=c1ncc(Br)c[n-]1	ZINC001574769388	957750612	/nfs/dbraw/zinc/75/06/12/957750612.db2.gz	UCRVPCNXDJOQGP-RNFRBKRXSA-N	-2	3	315.127	0.793	20	50		DCGDHL
COc1ncc[n-]c1=NNC(=O)Cc1ccccc1C(=O)[O-]	ZINC001594159829	958877243	/nfs/dbraw/zinc/87/72/43/958877243.db2.gz	YSEYUHILCXIDJV-UHFFFAOYSA-N	-2	3	302.290	0.869	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)CCCN(C)C(=O)[O-])c([O-])c1	ZINC000738513281	978550653	/nfs/dbraw/zinc/55/06/53/978550653.db2.gz	CXHPBEHAYDNHSK-UHFFFAOYSA-N	-2	3	309.322	0.852	20	50		DCGDHL
CCC(=O)[N-][N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1	ZINC001594712707	987179332	/nfs/dbraw/zinc/17/93/32/987179332.db2.gz	ZOAHWRZLKGNQKT-UHFFFAOYSA-N	-3	3	316.335	0.260	20	50		DCGDHL
COc1cc[n-]c(=NNC(=O)C=Cc2cc(C(=O)[O-])co2)n1	ZINC001599722171	991559089	/nfs/dbraw/zinc/55/90/89/991559089.db2.gz	AYEQUPOEFUHPRV-NSCUHMNNSA-N	-2	3	304.262	0.933	20	50		DCGDHL
CN([N-]S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(=O)OC(C)(C)C	ZINC001598540692	992897600	/nfs/dbraw/zinc/89/76/00/992897600.db2.gz	CNRNNUFWLWNTSF-BDAKNGLRSA-N	-2	3	322.383	0.941	20	50		DCGDHL
Cc1ncsc1C(=O)[N-]NC(=O)c1ccc(-c2nnn[n-]2)[nH]1	ZINC000826331563	607727509	/nfs/dbraw/zinc/72/75/09/607727509.db2.gz	NYYDFFWZYPACKI-UHFFFAOYSA-N	-2	3	318.322	0.035	20	50		DCGDHL
Cc1ncsc1C(=O)[N-]NC(=O)c1ccc(-c2nn[n-]n2)[nH]1	ZINC000826331563	607727511	/nfs/dbraw/zinc/72/75/11/607727511.db2.gz	NYYDFFWZYPACKI-UHFFFAOYSA-N	-2	3	318.322	0.035	20	50		DCGDHL
Cc1cc(C(=O)N[N-]C(=O)c2cnn(C)c2)ccc1NC(=O)[O-]	ZINC000829962236	605695754	/nfs/dbraw/zinc/69/57/54/605695754.db2.gz	YAJCYIPSMBBHSO-UHFFFAOYSA-N	-2	3	317.305	0.893	20	50		DCGDHL
O=C([O-])N1CC(CNC(=O)NN=c2cncc(Cl)[n-]2)C1	ZINC000834035415	605773777	/nfs/dbraw/zinc/77/37/77/605773777.db2.gz	PDLJDTTYMUJWLL-UHFFFAOYSA-N	-2	3	300.706	0.366	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@]1(C)CCN(C(=O)[O-])C1	ZINC000833911821	605926993	/nfs/dbraw/zinc/92/69/93/605926993.db2.gz	ZNGNXUWUMKJNSW-CQSZACIVSA-N	-2	3	306.322	0.541	20	50		DCGDHL
O=C(Cc1ccc(-c2nn[n-]n2)cc1)NN=c1ncc(F)c[n-]1	ZINC000826421977	608038442	/nfs/dbraw/zinc/03/84/42/608038442.db2.gz	IETHVTHYRPOJPP-UHFFFAOYSA-N	-2	3	314.284	0.482	20	50		DCGDHL
O=C([O-])CSCC(=O)NN=c1ncc(Br)c[n-]1	ZINC000848454156	955744243	/nfs/dbraw/zinc/74/42/43/955744243.db2.gz	JYLIKTFIYPEHMM-UHFFFAOYSA-N	-2	3	321.156	0.500	20	50		DCGDHL
N#Cc1ccc(C(=O)N[N-]C(=O)c2ccc(C(=O)[O-])cn2)cc1	ZINC001594617537	956250610	/nfs/dbraw/zinc/25/06/10/956250610.db2.gz	DTYGCMOZDOEERY-UHFFFAOYSA-N	-2	3	310.269	0.726	20	50		DCGDHL
O=C([O-])C1(C(=O)N[N-]C(=O)c2ccccc2F)CCOCC1	ZINC001605814473	972534183	/nfs/dbraw/zinc/53/41/83/972534183.db2.gz	CHPPWGIBAFWFPU-UHFFFAOYSA-N	-2	3	310.281	0.468	20	50		DCGDHL
COc1ncc[n-]c1=NNC(=O)c1ccc(C=CC(=O)[O-])o1	ZINC001599738895	991817554	/nfs/dbraw/zinc/81/75/54/991817554.db2.gz	NUCAFBHBMBDIAB-HWKANZROSA-N	-2	3	304.262	0.933	20	50		DCGDHL
O=C([O-])N[C@H](CC(F)F)C(=O)NNC(=O)c1ccccc1[O-]	ZINC000834136148	605307008	/nfs/dbraw/zinc/30/70/08/605307008.db2.gz	QOPZLXWPTPFJHR-SSDOTTSWSA-N	-2	3	317.248	0.445	20	50		DCGDHL
O=C([O-])NCC(=O)N[N-]C(=O)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000834202892	605448407	/nfs/dbraw/zinc/44/84/07/605448407.db2.gz	ARJLDSBTHBESIT-UHFFFAOYSA-N	-2	3	316.657	0.277	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)C1(CNC(=O)[O-])CCCC1	ZINC000833910667	605926456	/nfs/dbraw/zinc/92/64/56/605926456.db2.gz	MNVJNFSAGMUCEX-UHFFFAOYSA-N	-2	3	320.349	0.979	20	50		DCGDHL
CC[C@H](C)[C@H](NCC(=O)N[N-]C(=O)c1cccs1)C(=O)[O-]	ZINC000820459767	955471988	/nfs/dbraw/zinc/47/19/88/955471988.db2.gz	RXXIGPYXWCOGPL-KWQFWETISA-N	-2	3	313.379	0.598	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)Nc1cc(C(=O)[O-])ccn1	ZINC001594420082	959050840	/nfs/dbraw/zinc/05/08/40/959050840.db2.gz	FURPMFFXBLUWLW-UHFFFAOYSA-N	-2	3	315.289	0.950	20	50		DCGDHL
Cc1n[nH]cc1C(=O)[N-]NC(=O)Nc1ccccc1C(=O)[O-]	ZINC001594442297	959289746	/nfs/dbraw/zinc/28/97/46/959289746.db2.gz	QUVPGTHBFKENPT-UHFFFAOYSA-N	-2	3	303.278	0.883	20	50		DCGDHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)C(C)C)c1F	ZINC000749140729	978688455	/nfs/dbraw/zinc/68/84/55/978688455.db2.gz	FHZAOCTVAQFWEA-UHFFFAOYSA-N	-3	3	318.326	0.798	20	50		DCGDHL
COc1cc[n-]c(=NNC(=O)c2cccc(OCC(=O)[O-])c2)n1	ZINC001599722548	991564649	/nfs/dbraw/zinc/56/46/49/991564649.db2.gz	LUTMULYOCRCLRK-UHFFFAOYSA-N	-2	3	318.289	0.706	20	50		DCGDHL
C[C@@H](NC(=S)N[N-]C(=O)c1ccc(C(=O)[O-])cn1)C1CC1	ZINC000827710129	601343288	/nfs/dbraw/zinc/34/32/88/601343288.db2.gz	NJUIRNXCHQZNAX-SSDOTTSWSA-N	-2	3	308.363	0.687	20	50		DCGDHL
O=C([O-])N1CC[C@@](F)(C(=O)[N-]NC(=O)CC(F)(F)F)C1	ZINC000831292754	603853022	/nfs/dbraw/zinc/85/30/22/603853022.db2.gz	PHCYMBPFFNKLCP-QMMMGPOBSA-N	-2	3	301.196	0.178	20	50		DCGDHL
CC(C)C(=O)[N-][N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC000833466919	604744640	/nfs/dbraw/zinc/74/46/40/604744640.db2.gz	HXTOBHAFLPFYGK-UHFFFAOYSA-N	-3	3	304.299	0.489	20	50		DCGDHL
O=C([O-])N[C@H](CC(F)F)C(=O)N[N-]C(=O)CC(F)(F)F	ZINC000834137064	605313386	/nfs/dbraw/zinc/31/33/86/605313386.db2.gz	YQUNSJOTTOLIHL-GSVOUGTGSA-N	-2	3	307.175	0.378	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)[C@H]2CCCC[C@]2(C)NC(=O)[O-])cn1	ZINC000833943814	606052190	/nfs/dbraw/zinc/05/21/90/606052190.db2.gz	PGMGEVDAMYRWAH-YGRLFVJLSA-N	-2	3	323.353	0.398	20	50		DCGDHL
Cc1n[nH]cc1C(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1	ZINC000822418881	946082324	/nfs/dbraw/zinc/08/23/24/946082324.db2.gz	HUVNSZVDANHXFK-UHFFFAOYSA-N	-2	3	318.322	0.035	20	50		DCGDHL
CC(C)C[C@H](CNC(=O)N[N-]C(=O)c1cn[nH]c1)CC(=O)[O-]	ZINC001603041585	972102326	/nfs/dbraw/zinc/10/23/26/972102326.db2.gz	JFEQEBJHGVXBOS-VIFPVBQESA-N	-2	3	311.342	0.491	20	50		DCGDHL
CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])o1	ZINC000737088002	978378308	/nfs/dbraw/zinc/37/83/08/978378308.db2.gz	LJEJXRXDTXNXCO-MNOVXSKESA-N	-2	3	323.349	0.603	20	50		DCGDHL
O=C([O-])N1CCC[C@@H](NC(=O)NNC(=O)c2ccccc2[O-])C1	ZINC000739454895	978640862	/nfs/dbraw/zinc/64/08/62/978640862.db2.gz	VYQFFIYGMLJPFX-SECBINFHSA-N	-2	3	322.321	0.479	20	50		DCGDHL
Cc1ccc(C(=O)[N-][N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)o1	ZINC000753084774	978693257	/nfs/dbraw/zinc/69/32/57/978693257.db2.gz	IYTFPJVTFANIPW-UHFFFAOYSA-N	-3	3	324.314	0.910	20	50		DCGDHL
CC(C)CC(=O)[N-][N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC001591111010	991764207	/nfs/dbraw/zinc/76/42/07/991764207.db2.gz	CBCPMQYNOGVUPZ-UHFFFAOYSA-N	-3	3	316.335	0.446	20	50		DCGDHL
Cc1oc(S(=O)(=O)[N-][N-]C(=O)C(C)(C)C)cc1C(=O)[O-]	ZINC000833027133	601232070	/nfs/dbraw/zinc/23/20/70/601232070.db2.gz	PXIGQDCKEMOPNA-UHFFFAOYSA-N	-3	3	304.324	0.642	20	50		DCGDHL
CNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C	ZINC000831001202	601325925	/nfs/dbraw/zinc/32/59/25/601325925.db2.gz	YLHREDJDQSHXFX-UHFFFAOYSA-N	-3	3	301.324	0.124	20	50		DCGDHL
CCNC(=O)[N-][N-]S(=O)(=O)c1ccc(C=CC(=O)[O-])cc1	ZINC000829799775	601327717	/nfs/dbraw/zinc/32/77/17/601327717.db2.gz	SBRGYKUEZWJMKR-YVMONPNESA-N	-3	3	313.335	0.297	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@@H](CC(F)F)NC(=O)[O-]	ZINC000833910193	606079787	/nfs/dbraw/zinc/07/97/87/606079787.db2.gz	HYYBMQHZEJNZTL-SSDOTTSWSA-N	-2	3	316.264	0.442	20	50		DCGDHL
O=C([O-])CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccccc2[O-])CO1	ZINC001595005770	951197467	/nfs/dbraw/zinc/19/74/67/951197467.db2.gz	QAHSBGSQCZPSGF-NXEZZACHSA-N	-2	3	322.317	0.423	20	50		DCGDHL
O=C([O-])Cc1cccc(NC(=O)C(=O)NN=c2cccn[n-]2)c1	ZINC001595130492	952031480	/nfs/dbraw/zinc/03/14/80/952031480.db2.gz	IBFLLFNJDOFQPR-UHFFFAOYSA-N	-2	3	315.289	0.186	20	50		DCGDHL
O=C([O-])c1ccc(C(=O)[N-]NC(=O)NCC(F)(F)F)nc1	ZINC001605750822	972409227	/nfs/dbraw/zinc/40/92/27/972409227.db2.gz	QPQHROMDHVVWLH-UHFFFAOYSA-N	-2	3	306.200	0.286	20	50		DCGDHL
O=C([O-])N1CCC[C@H](NC(=O)N[N-]C(=O)c2ccccc2F)C1	ZINC000739453524	978637771	/nfs/dbraw/zinc/63/77/71/978637771.db2.gz	KKGVGSLXEPZFKP-VIFPVBQESA-N	-2	3	324.312	0.912	20	50		DCGDHL
CC[C@H](C)C(=O)[N-][N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC001594866367	982175078	/nfs/dbraw/zinc/17/50/78/982175078.db2.gz	RVPXGWJZVCKRQN-ZETCQYMHSA-N	-3	3	318.326	0.880	20	50		DCGDHL
CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000828700061	601858297	/nfs/dbraw/zinc/85/82/97/601858297.db2.gz	GIFMGSLAQGJITF-SSDOTTSWSA-N	-3	3	318.326	0.880	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)C2(CNC(=O)[O-])CCCC2)cn1	ZINC000830988436	603678644	/nfs/dbraw/zinc/67/86/44/603678644.db2.gz	FDWUZJWIXNXKNB-UHFFFAOYSA-N	-2	3	309.326	0.009	20	50		DCGDHL
O=C([O-])N[C@H](CNC(=O)NN=c1cncc(Cl)[n-]1)C1CC1	ZINC000834144233	605947683	/nfs/dbraw/zinc/94/76/83/605947683.db2.gz	OKELKIORYKEGHT-SSDOTTSWSA-N	-2	3	314.733	0.802	20	50		DCGDHL
Cc1n[nH]cc1C(=O)N[N-]C(=O)c1sccc1-c1nn[n-]n1	ZINC000737454034	945071697	/nfs/dbraw/zinc/07/16/97/945071697.db2.gz	VOSZFKYLJTTYRE-UHFFFAOYSA-N	-2	3	318.322	0.035	20	50		DCGDHL
C[C@H](CNC(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000848588092	955758747	/nfs/dbraw/zinc/75/87/47/955758747.db2.gz	OPOPIYAPYWHCBM-SSDOTTSWSA-N	-2	3	310.266	0.260	20	50		DCGDHL
Cc1cc(C(=O)[O-])cc(C(=O)N[N-]C(=O)c2cnn(C)c2)c1	ZINC001594288583	957800412	/nfs/dbraw/zinc/80/04/12/957800412.db2.gz	YLPJQCQSYFYKOM-UHFFFAOYSA-N	-2	3	302.290	0.502	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)[C@@]2(C(=O)[O-])CC2(C)C)c([O-])c1	ZINC001574356675	961006226	/nfs/dbraw/zinc/00/62/26/961006226.db2.gz	DMROGXBPBFBSAJ-OAHLLOKOSA-N	-2	3	306.318	0.963	20	50		DCGDHL
O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)C2CCC2)cs1	ZINC000264745255	962753000	/nfs/dbraw/zinc/75/30/00/962753000.db2.gz	LDWKQUHDRCPEOD-UHFFFAOYSA-N	-3	3	304.349	0.556	20	50		DCGDHL
C[C@](CCF)(NCC(=O)N[N-]C(=O)c1cccs1)C(=O)[O-]	ZINC001592498377	978310599	/nfs/dbraw/zinc/31/05/99/978310599.db2.gz	ZQZSFACPEGHWFF-GFCCVEGCSA-N	-2	3	317.342	0.302	20	50		DCGDHL
O=C([O-])c1ccc(C(=O)[N-]NC(=O)Cc2ccsc2)nc1	ZINC000739348984	978631344	/nfs/dbraw/zinc/63/13/44/978631344.db2.gz	GVHDRUFATDXBLH-UHFFFAOYSA-N	-2	3	305.315	0.845	20	50		DCGDHL
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)C(C)C	ZINC000793351519	978802699	/nfs/dbraw/zinc/80/26/99/978802699.db2.gz	YPFPSGFZAJYGCG-UHFFFAOYSA-N	-3	3	318.326	0.798	20	50		DCGDHL
CCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC001595760395	982469460	/nfs/dbraw/zinc/46/94/60/982469460.db2.gz	YUTWSZKPSHUYKE-UHFFFAOYSA-N	-3	3	321.380	0.739	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)c([O-])c1	ZINC000830225148	603497713	/nfs/dbraw/zinc/49/77/13/603497713.db2.gz	GOMXSQWDVWIVDP-NXEZZACHSA-N	-2	3	321.333	0.898	20	50		DCGDHL
O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)NN=c1cccn[n-]1	ZINC000832512777	603873677	/nfs/dbraw/zinc/87/36/77/603873677.db2.gz	GHIVXRNZSMCUTP-UWVGGRQHSA-N	-2	3	308.342	0.929	20	50		DCGDHL
CC(=NNC(=O)c1ccccc1[O-])c1cn(CC(=O)[O-])nn1	ZINC000825804269	604780918	/nfs/dbraw/zinc/78/09/18/604780918.db2.gz	CJCIHCMFDOANHQ-UHFFFAOYSA-N	-2	3	303.278	0.222	20	50		DCGDHL
O=C([O-])NCCCC(=O)[N-][N-]S(=O)(=O)c1cccc(F)c1	ZINC000834230831	605804590	/nfs/dbraw/zinc/80/45/90/605804590.db2.gz	CTSRXSKUEKBQRJ-UHFFFAOYSA-N	-3	3	319.314	0.183	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@H]1CSCN1C(=O)[O-]	ZINC000833909914	605926319	/nfs/dbraw/zinc/92/63/19/605926319.db2.gz	GGWNTKFLCJWKDR-MRVPVSSYSA-N	-2	3	310.335	0.204	20	50		DCGDHL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1csc([N+](=O)[O-])c1	ZINC000834232611	605977126	/nfs/dbraw/zinc/97/71/26/605977126.db2.gz	UTUFPIFRLWQDRJ-UHFFFAOYSA-N	-2	3	316.295	0.465	20	50		DCGDHL
O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cscn1	ZINC000738134214	945217689	/nfs/dbraw/zinc/21/76/89/945217689.db2.gz	GRHBXTHOAOKVSH-UHFFFAOYSA-N	-2	3	315.318	0.398	20	50		DCGDHL
O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cscn1	ZINC000738134214	945217695	/nfs/dbraw/zinc/21/76/95/945217695.db2.gz	GRHBXTHOAOKVSH-UHFFFAOYSA-N	-2	3	315.318	0.398	20	50		DCGDHL
O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cscn1	ZINC000738134734	945222681	/nfs/dbraw/zinc/22/26/81/945222681.db2.gz	RTPSDNIOILLWBY-UHFFFAOYSA-N	-2	3	315.318	0.398	20	50		DCGDHL
O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cscn1	ZINC000738134734	945222689	/nfs/dbraw/zinc/22/26/89/945222689.db2.gz	RTPSDNIOILLWBY-UHFFFAOYSA-N	-2	3	315.318	0.398	20	50		DCGDHL
Cc1cc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)on1	ZINC000737236854	945018141	/nfs/dbraw/zinc/01/81/41/945018141.db2.gz	SWEGYGWFJWFHED-UHFFFAOYSA-N	-2	3	313.277	0.238	20	50		DCGDHL
Cc1cc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)on1	ZINC000737236854	945018150	/nfs/dbraw/zinc/01/81/50/945018150.db2.gz	SWEGYGWFJWFHED-UHFFFAOYSA-N	-2	3	313.277	0.238	20	50		DCGDHL
O=C([O-])c1ccc(C(=O)[N-]NC(=O)Cc2cccnc2)nc1	ZINC000739350129	955253915	/nfs/dbraw/zinc/25/39/15/955253915.db2.gz	SJMZBTOCYSKOQF-UHFFFAOYSA-N	-2	3	300.274	0.179	20	50		DCGDHL
Cc1cc(C(=O)[O-])cc(C(=O)NN=c2ccc(C(N)=O)n[n-]2)c1	ZINC001594288225	957793647	/nfs/dbraw/zinc/79/36/47/957793647.db2.gz	FDUZPPHNEINBDZ-UHFFFAOYSA-N	-2	3	315.289	0.339	20	50		DCGDHL
CC(C)C[C@H](CNC(=O)N[N-]C(=O)c1cnn(C)c1)C(=O)[O-]	ZINC000818627774	969192424	/nfs/dbraw/zinc/19/24/24/969192424.db2.gz	MTVZPQVTAQNNTQ-SECBINFHSA-N	-2	3	311.342	0.111	20	50		DCGDHL
Cc1n[nH]cc1C(=O)[N-]NC(=O)C1(C(=O)[O-])CCCCCC1	ZINC001605388246	973359991	/nfs/dbraw/zinc/35/99/91/973359991.db2.gz	JCWIWAFXKSWPSZ-UHFFFAOYSA-N	-2	3	308.338	0.904	20	50		DCGDHL
CCNC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC000737123756	978380451	/nfs/dbraw/zinc/38/04/51/978380451.db2.gz	GKXLNDZJSQLERU-UHFFFAOYSA-N	-3	3	301.324	0.206	20	50		DCGDHL
Cc1ccc(C(=O)[O-])cc1NC(=O)N[N-]C(=O)c1cnn(C)c1	ZINC000738535929	978552626	/nfs/dbraw/zinc/55/26/26/978552626.db2.gz	RWMQIYHTBHFICX-UHFFFAOYSA-N	-2	3	317.305	0.893	20	50		DCGDHL
Cc1ccc(C(=O)[N-][N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)o1	ZINC000753084576	978693618	/nfs/dbraw/zinc/69/36/18/978693618.db2.gz	GQUIFBXZCNNDBV-UHFFFAOYSA-N	-3	3	313.291	0.238	20	50		DCGDHL
CCCNC(=O)[N-][N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000921022039	982696960	/nfs/dbraw/zinc/69/69/60/982696960.db2.gz	WFRWGSRREBETCT-UHFFFAOYSA-N	-3	3	301.324	0.287	20	50		DCGDHL
CN([N-]S(=O)(=O)C1(C(=O)[O-])CCC1)C(=O)OC(C)(C)C	ZINC001598540927	992899462	/nfs/dbraw/zinc/89/94/62/992899462.db2.gz	GJYCINBZDRDMCX-UHFFFAOYSA-N	-2	3	308.356	0.695	20	50		DCGDHL
Cc1cccc(S(=O)(=O)[N-]NC(=O)C(C)C)c1-c1nn[n-]n1	ZINC000826303578	607534669	/nfs/dbraw/zinc/53/46/69/607534669.db2.gz	VUDUFHJCULVDDJ-UHFFFAOYSA-N	-2	3	324.366	0.141	20	50		DCGDHL
O=C([O-])N[C@H]1CCC[C@H](C(=O)NNC(=O)c2ccccc2[O-])C1	ZINC000832325735	603436099	/nfs/dbraw/zinc/43/60/99/603436099.db2.gz	OAKZLHBSWRUIDF-UWVGGRQHSA-N	-2	3	321.333	0.980	20	50		DCGDHL
Cc1cccnc1C(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1	ZINC000826308213	607763554	/nfs/dbraw/zinc/76/35/54/607763554.db2.gz	ONCUEDQNSLOZRT-UHFFFAOYSA-N	-2	3	324.304	0.040	20	50		DCGDHL
O=C([O-])NCCOCC(=O)NN=c1ccc(C(F)(F)F)n[n-]1	ZINC000834242403	606034373	/nfs/dbraw/zinc/03/43/73/606034373.db2.gz	HPXMTCCLDYGGHZ-UHFFFAOYSA-N	-2	3	323.231	0.223	20	50		DCGDHL
O=C(NN=c1ncc(F)c[n-]1)c1cccc(-c2nn[n-]n2)c1	ZINC000826450082	608037846	/nfs/dbraw/zinc/03/78/46/608037846.db2.gz	WOFHGMOEGABGLE-UHFFFAOYSA-N	-2	3	300.257	0.553	20	50		DCGDHL
Cc1ncoc1C(=O)[N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000822482532	946102980	/nfs/dbraw/zinc/10/29/80/946102980.db2.gz	UPIVMAIUTGSWAK-UHFFFAOYSA-N	-2	3	313.277	0.238	20	50		DCGDHL
Cc1ncoc1C(=O)[N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000822482532	946102985	/nfs/dbraw/zinc/10/29/85/946102985.db2.gz	UPIVMAIUTGSWAK-UHFFFAOYSA-N	-2	3	313.277	0.238	20	50		DCGDHL
O=C([O-])CC1(C(=O)NN=c2ncc(Cl)c[n-]2)CCOCC1	ZINC001594976582	950921198	/nfs/dbraw/zinc/92/11/98/950921198.db2.gz	XWVGDODUOPNFTG-UHFFFAOYSA-N	-2	3	314.729	0.845	20	50		DCGDHL
O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)NN=c1cccn[n-]1)O2	ZINC001594748398	953399868	/nfs/dbraw/zinc/39/98/68/953399868.db2.gz	IUZBGUWJJVHOFJ-OPASDULOSA-N	-2	3	321.337	0.515	20	50		DCGDHL
COc1ncc[n-]c1=NNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001594159812	958874042	/nfs/dbraw/zinc/87/40/42/958874042.db2.gz	YEBNKVJRKXUFKI-DTWKUNHWSA-N	-2	3	310.310	0.198	20	50		DCGDHL
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000266709554	962755846	/nfs/dbraw/zinc/75/58/46/962755846.db2.gz	IVTYTHLLBZYYDD-UHFFFAOYSA-N	-3	3	318.326	0.880	20	50		DCGDHL
CC(C)NC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000269046701	962772037	/nfs/dbraw/zinc/77/20/37/962772037.db2.gz	FZEBFDHPMSZBNN-UHFFFAOYSA-N	-3	3	319.314	0.425	20	50		DCGDHL
CCCNC(=O)[N-][N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000737028855	978373294	/nfs/dbraw/zinc/37/32/94/978373294.db2.gz	RFUMZTWEQOZORL-UHFFFAOYSA-N	-3	3	315.351	0.596	20	50		DCGDHL
CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)[C@@H]2C[C@H]2C(=O)[O-])o1	ZINC000737087998	978378452	/nfs/dbraw/zinc/37/84/52/978378452.db2.gz	LJEJXRXDTXNXCO-GHMZBOCLSA-N	-2	3	323.349	0.603	20	50		DCGDHL
CCCc1c(C(=O)N[N-]C(=O)c2cn[nH]c2)[nH]c(C)c1C(=O)[O-]	ZINC001596042191	983329001	/nfs/dbraw/zinc/32/90/01/983329001.db2.gz	OEYJOXURXPHOJS-UHFFFAOYSA-N	-2	3	319.321	0.772	20	50		DCGDHL
CC(C)C(=O)[N-][N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC001590939458	990974716	/nfs/dbraw/zinc/97/47/16/990974716.db2.gz	VLGKTSCDXYRDDL-UHFFFAOYSA-N	-3	3	302.308	0.056	20	50		DCGDHL
COc1ncc[n-]c1=NNC(=O)Nc1cccc(CC(=O)[O-])n1	ZINC001599738586	991812685	/nfs/dbraw/zinc/81/26/85/991812685.db2.gz	LGHPRLXZDQGSLR-UHFFFAOYSA-N	-2	3	318.293	0.656	20	50		DCGDHL
O=C([O-])N(CC(=O)NNC(=O)c1ccccc1[O-])CC1CC1	ZINC000831464198	603435929	/nfs/dbraw/zinc/43/59/29/603435929.db2.gz	NRLZISYDBRNGOO-UHFFFAOYSA-N	-2	3	307.306	0.543	20	50		DCGDHL
O=C([O-])NCC1(C(=O)NNC(=O)c2ccccc2[O-])CCCC1	ZINC000832442881	603796067	/nfs/dbraw/zinc/79/60/67/603796067.db2.gz	DQEDEGUKCDNGMN-UHFFFAOYSA-N	-2	3	321.333	0.981	20	50		DCGDHL
O=C([O-])NCCNC(=O)N[N-]C(=O)c1ccc2c(n1)CCCC2	ZINC000834243388	605833805	/nfs/dbraw/zinc/83/38/05/605833805.db2.gz	MGBPPTUWTKTOGR-UHFFFAOYSA-N	-2	3	321.337	0.172	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000833911069	605926518	/nfs/dbraw/zinc/92/65/18/605926518.db2.gz	SJFZFFOUQRUOTK-VHSXEESVSA-N	-2	3	306.322	0.587	20	50		DCGDHL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1ccc2c(n1)CCCC2	ZINC000834230319	605977283	/nfs/dbraw/zinc/97/72/83/605977283.db2.gz	XJNWWWAGCKIEGX-UHFFFAOYSA-N	-2	3	320.349	0.769	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)Nc2ccccc2C(=O)[O-])cn1	ZINC001611277703	970968879	/nfs/dbraw/zinc/96/88/79/970968879.db2.gz	VNSLKFJFUYKQOB-UHFFFAOYSA-N	-2	3	303.278	0.585	20	50		DCGDHL
O=C([O-])c1ccc[nH]c1=NNC(=O)c1cc(F)cc2n[n-]nc21	ZINC001595262082	949679571	/nfs/dbraw/zinc/67/95/71/949679571.db2.gz	PNXIXXMDFOSSPN-UHFFFAOYSA-N	-2	3	316.252	0.947	20	50		DCGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)OCC(=O)NCC(=O)[O-]	ZINC000821315567	955499298	/nfs/dbraw/zinc/49/92/98/955499298.db2.gz	XHYZBKHXTIGXQS-YHYXMXQVSA-N	-2	3	304.258	0.043	20	50		DCGDHL
COc1ncc[n-]c1=NNC(=O)Nc1cc(C(=O)[O-])ccn1	ZINC001604912435	972463702	/nfs/dbraw/zinc/46/37/02/972463702.db2.gz	UADMZAQZOLOPIV-UHFFFAOYSA-N	-2	3	304.266	0.727	20	50		DCGDHL
CC(C)NC(=O)[N-][N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000267165976	962763693	/nfs/dbraw/zinc/76/36/93/962763693.db2.gz	KILWFTLHRDXZEK-UHFFFAOYSA-N	-3	3	315.351	0.215	20	50		DCGDHL
CCC(=O)[N-][N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000736847033	978361019	/nfs/dbraw/zinc/36/10/19/978361019.db2.gz	JOHXSXOJYWDKNI-UHFFFAOYSA-N	-3	3	302.308	0.113	20	50		DCGDHL
O=C([O-])N[C@@H]1CC[C@@H](C(=O)NNC(=O)c2ccccc2[O-])C1	ZINC000832276332	603436011	/nfs/dbraw/zinc/43/60/11/603436011.db2.gz	AJXPYFPBKOVJBL-RKDXNWHRSA-N	-2	3	307.306	0.590	20	50		DCGDHL
Cc1cc(C(=O)[N-]NC(=O)CCNC(=O)[O-])c(F)cc1F	ZINC000833898549	605841286	/nfs/dbraw/zinc/84/12/86/605841286.db2.gz	OSPBINKGDJXLKH-UHFFFAOYSA-N	-2	3	301.249	0.692	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000833911129	605927278	/nfs/dbraw/zinc/92/72/78/605927278.db2.gz	UDXYEHISYFUCNX-QWRGUYRKSA-N	-2	3	320.349	0.977	20	50		DCGDHL
COc1cc[n-]c(=NNC(=O)C2(C(=O)[O-])CCSCC2)n1	ZINC001594150227	958787043	/nfs/dbraw/zinc/78/70/43/958787043.db2.gz	CTODQTNZLKUJST-UHFFFAOYSA-N	-2	3	312.351	0.526	20	50		DCGDHL
Cc1n[nH]cc1C(=O)[N-]NC(=O)Nc1cccc(C(=O)[O-])c1	ZINC001594442233	959289632	/nfs/dbraw/zinc/28/96/32/959289632.db2.gz	MOECDWACLLZVFH-UHFFFAOYSA-N	-2	3	303.278	0.883	20	50		DCGDHL
CC(C)NC(=O)N[N-]C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001591652931	992976161	/nfs/dbraw/zinc/97/61/61/992976161.db2.gz	QAUPNBRJPWYQPM-UHFFFAOYSA-N	-2	3	310.266	0.645	20	50		DCGDHL
CC(C)CC(=O)[N-][N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC000833472446	604744511	/nfs/dbraw/zinc/74/45/11/604744511.db2.gz	CEKFWUZNPWMPGW-UHFFFAOYSA-N	-3	3	318.326	0.880	20	50		DCGDHL
O=C([O-])N[C@@H](CNC(=O)NN=c1cncc(Cl)[n-]1)C1CC1	ZINC000834144236	605947586	/nfs/dbraw/zinc/94/75/86/605947586.db2.gz	OKELKIORYKEGHT-ZETCQYMHSA-N	-2	3	314.733	0.802	20	50		DCGDHL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1ccc(F)cc1F	ZINC000834229869	605975075	/nfs/dbraw/zinc/97/50/75/605975075.db2.gz	JXZYIUMJSBORJH-UHFFFAOYSA-N	-2	3	301.249	0.774	20	50		DCGDHL
CC(=O)Nc1cncc(C(=O)[N-]NC(=O)C2(C(=O)[O-])CCC2)c1	ZINC001602767377	971496921	/nfs/dbraw/zinc/49/69/21/971496921.db2.gz	RVNRGCSYVCLBIK-UHFFFAOYSA-N	-2	3	320.305	0.056	20	50		DCGDHL
O=C([O-])c1ccc[nH]c1=NNC(=O)c1cc(=O)[n-]c(C2CC2)n1	ZINC001594780994	953629091	/nfs/dbraw/zinc/62/90/91/953629091.db2.gz	BWEVAJLVSOJDEL-UHFFFAOYSA-N	-2	3	315.289	0.910	20	50		DCGDHL
CSCCNC(=S)N[N-]C(=O)c1ccc(C(=O)[O-])cn1	ZINC001604958722	972543049	/nfs/dbraw/zinc/54/30/49/972543049.db2.gz	GUCBRRISRDDLMF-UHFFFAOYSA-N	-2	3	314.392	0.252	20	50		DCGDHL
C[C@@](CCF)(NCC(=O)N[N-]C(=O)c1cccs1)C(=O)[O-]	ZINC001592498378	978310479	/nfs/dbraw/zinc/31/04/79/978310479.db2.gz	ZQZSFACPEGHWFF-LBPRGKRZSA-N	-2	3	317.342	0.302	20	50		DCGDHL
O=C([O-])N1CCC[C@@H](C(=O)NNC(=O)c2ccccc2[O-])C1	ZINC000831736364	605193679	/nfs/dbraw/zinc/19/36/79/605193679.db2.gz	KJLDYTUTSHBTBO-SECBINFHSA-N	-2	3	307.306	0.543	20	50		DCGDHL
O=C([N-]NC(=O)C1CCCC1)c1cc(-c2nn[n-]n2)cs1	ZINC000823273460	946382447	/nfs/dbraw/zinc/38/24/47/946382447.db2.gz	OGSDQEYVDNGJII-UHFFFAOYSA-N	-2	3	306.351	0.879	20	50		DCGDHL
O=C([O-])c1ccnc(NC(=O)NNC(=O)c2ccccc2[O-])c1	ZINC001594779709	953618048	/nfs/dbraw/zinc/61/80/48/953618048.db2.gz	CCQIISOPMFZZQY-UHFFFAOYSA-N	-2	3	316.273	0.952	20	50		DCGDHL
COc1ccccc1C(=O)N[N-]C(=O)c1ccc(C(=O)[O-])cn1	ZINC000738114731	978480547	/nfs/dbraw/zinc/48/05/47/978480547.db2.gz	CYONZGWZZIBYNM-UHFFFAOYSA-N	-2	3	315.285	0.863	20	50		DCGDHL
CCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F	ZINC000753774369	978693611	/nfs/dbraw/zinc/69/36/11/978693611.db2.gz	JDFIPXZJSDURTF-UHFFFAOYSA-N	-3	3	319.314	0.345	20	50		DCGDHL
O=C([O-])N[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccccc2[O-])C1	ZINC000832276329	603435950	/nfs/dbraw/zinc/43/59/50/603435950.db2.gz	AJXPYFPBKOVJBL-BDAKNGLRSA-N	-2	3	307.306	0.590	20	50		DCGDHL
C[C@@]1(C(=O)NNC(=O)c2ccccc2[O-])CCN(C(=O)[O-])C1	ZINC000825672231	604058217	/nfs/dbraw/zinc/05/82/17/604058217.db2.gz	AJTMBZNCHQZCMR-CQSZACIVSA-N	-2	3	307.306	0.543	20	50		DCGDHL
CC(C)CCC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833481692	604687274	/nfs/dbraw/zinc/68/72/74/604687274.db2.gz	XXCRGUUWXPUKOM-UHFFFAOYSA-N	-3	3	315.351	0.526	20	50		DCGDHL
O=C([O-])NCC(=O)N[N-]C(=O)c1cc(Cl)cc([N+](=O)[O-])c1	ZINC000834203273	605467958	/nfs/dbraw/zinc/46/79/58/605467958.db2.gz	MCAXPLZSLHWPRX-UHFFFAOYSA-N	-2	3	316.657	0.277	20	50		DCGDHL
O=C(NN=c1ncc(F)c[n-]1)c1sccc1-c1nnn[n-]1	ZINC000826449890	608038496	/nfs/dbraw/zinc/03/84/96/608038496.db2.gz	NQDFQBIPLMLMHA-UHFFFAOYSA-N	-2	3	306.286	0.614	20	50		DCGDHL
O=C(NN=c1ncc(F)c[n-]1)c1sccc1-c1nn[n-]n1	ZINC000826449890	608038497	/nfs/dbraw/zinc/03/84/97/608038497.db2.gz	NQDFQBIPLMLMHA-UHFFFAOYSA-N	-2	3	306.286	0.614	20	50		DCGDHL
O=C([N-]N=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ncccn1	ZINC000826445643	608580242	/nfs/dbraw/zinc/58/02/42/608580242.db2.gz	CUUGUISKPQMONB-UHFFFAOYSA-N	-2	3	317.700	0.462	20	50		DCGDHL
O=C([O-])c1ccc(C(=O)[N-]NC(=O)NCc2ccccc2)nc1	ZINC001594775144	953583980	/nfs/dbraw/zinc/58/39/80/953583980.db2.gz	ZTAUJVLFKWJZIO-UHFFFAOYSA-N	-2	3	314.301	0.924	20	50		DCGDHL
C[C@H](NC(=O)N[N-]C(=O)c1cn[nH]c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC001589108817	956051793	/nfs/dbraw/zinc/05/17/93/956051793.db2.gz	MKPIRCWQIBQENV-UJNFCWOMSA-N	-2	3	323.353	0.489	20	50		DCGDHL
CC(C)C(=O)[N-][N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000736346705	978321668	/nfs/dbraw/zinc/32/16/68/978321668.db2.gz	IWITXFDDYLVTSD-UHFFFAOYSA-N	-3	3	304.299	0.489	20	50		DCGDHL
O=C([O-])NCC(=O)N[N-]C(=O)c1cnn(-c2ccccc2F)c1	ZINC000834202870	605460860	/nfs/dbraw/zinc/46/08/60/605460860.db2.gz	GDBDMTWYNFZEKY-UHFFFAOYSA-N	-2	3	321.268	0.040	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@H](CC(C)C)NC(=O)[O-]	ZINC000833909448	605926266	/nfs/dbraw/zinc/92/62/66/605926266.db2.gz	ACBGPNAMCGDRRL-JTQLQIEISA-N	-2	3	308.338	0.833	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@@]1(C)CCCN(C(=O)[O-])C1	ZINC000833910574	605926427	/nfs/dbraw/zinc/92/64/27/605926427.db2.gz	METOTWRHRMWNIE-HNNXBMFYSA-N	-2	3	320.349	0.931	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@@H](NC(=O)[O-])C(C)(C)C	ZINC000833909456	605926444	/nfs/dbraw/zinc/92/64/44/605926444.db2.gz	ALIORTYZTYZWDW-SNVBAGLBSA-N	-2	3	308.338	0.833	20	50		DCGDHL
Cc1cc(S(=O)(=O)[N-][N-]C(=O)CCCNC(=O)[O-])c(C)o1	ZINC000833902324	606013063	/nfs/dbraw/zinc/01/30/63/606013063.db2.gz	YGBRFDZHCDKTPH-UHFFFAOYSA-N	-3	3	319.339	0.254	20	50		DCGDHL
O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cncs1	ZINC000738134436	945220194	/nfs/dbraw/zinc/22/01/94/945220194.db2.gz	MPIKPJPFNGQZPY-UHFFFAOYSA-N	-2	3	315.318	0.398	20	50		DCGDHL
O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cncs1	ZINC000738134436	945220202	/nfs/dbraw/zinc/22/02/02/945220202.db2.gz	MPIKPJPFNGQZPY-UHFFFAOYSA-N	-2	3	315.318	0.398	20	50		DCGDHL
CN(C)C(=O)N[N-]C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000821577886	945719820	/nfs/dbraw/zinc/71/98/20/945719820.db2.gz	BKJSYCXMPRKVDY-UHFFFAOYSA-N	-2	3	311.252	0.061	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)C2(C(=O)[O-])CC=CC2)c([O-])c1	ZINC001594346915	958324421	/nfs/dbraw/zinc/32/44/21/958324421.db2.gz	NHAHUVNCBPGYHE-UHFFFAOYSA-N	-2	3	304.302	0.883	20	50		DCGDHL
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-][N-]C(=O)N(C)C	ZINC000268650256	962766516	/nfs/dbraw/zinc/76/65/16/962766516.db2.gz	ULQFFALLSJXTBG-UHFFFAOYSA-N	-3	3	301.324	0.158	20	50		DCGDHL
CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])[N-]S(=O)(=O)CCl	ZINC001590343068	989791116	/nfs/dbraw/zinc/79/11/16/989791116.db2.gz	DWSJCGIXFWUZJL-ZETCQYMHSA-N	-2	3	315.775	0.677	20	50		DCGDHL
COc1ncc[n-]c1=NNC(=O)Nc1cncc(C(=O)[O-])c1	ZINC001599739541	991826516	/nfs/dbraw/zinc/82/65/16/991826516.db2.gz	ZKEUWOARICQNLH-UHFFFAOYSA-N	-2	3	304.266	0.727	20	50		DCGDHL
C[C@H](NC(=S)N[N-]C(=O)c1ccc(C(=O)[O-])cn1)C1CC1	ZINC000827710130	601343246	/nfs/dbraw/zinc/34/32/46/601343246.db2.gz	NJUIRNXCHQZNAX-ZETCQYMHSA-N	-2	3	308.363	0.687	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)Cc2cccc(NC(=O)[O-])c2)cn1	ZINC000833944456	605802569	/nfs/dbraw/zinc/80/25/69/605802569.db2.gz	ZPRYBCUCNRRZRK-UHFFFAOYSA-N	-2	3	317.305	0.514	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@@H](CC(C)C)NC(=O)[O-]	ZINC000833909449	605926338	/nfs/dbraw/zinc/92/63/38/605926338.db2.gz	ACBGPNAMCGDRRL-SNVBAGLBSA-N	-2	3	308.338	0.833	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@@H]1CCCCN1C(=O)[O-]	ZINC000833911233	605927193	/nfs/dbraw/zinc/92/71/93/605927193.db2.gz	VHGKXCTYBPPOLE-JTQLQIEISA-N	-2	3	306.322	0.684	20	50		DCGDHL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1cccc2[nH]c(=O)oc21	ZINC000834230143	605977416	/nfs/dbraw/zinc/97/74/16/605977416.db2.gz	SNYKJWQVSSEDDT-UHFFFAOYSA-N	-2	3	322.277	0.342	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)[C@@H]2CCCC[C@]2(C)NC(=O)[O-])cn1	ZINC000833943811	606052112	/nfs/dbraw/zinc/05/21/12/606052112.db2.gz	PGMGEVDAMYRWAH-HZMBPMFUSA-N	-2	3	323.353	0.398	20	50		DCGDHL
C[C@@]1(C(=O)[O-])CCN(CC(=O)N[N-]C(=O)c2cccs2)C1	ZINC000062935651	948966595	/nfs/dbraw/zinc/96/65/95/948966595.db2.gz	OZWPILANIODKRI-CYBMUJFWSA-N	-2	3	311.363	0.306	20	50		DCGDHL
O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)C2CCC2)ccc1F	ZINC000264741625	962753994	/nfs/dbraw/zinc/75/39/94/962753994.db2.gz	KNJOCQILFIIELN-UHFFFAOYSA-N	-3	3	316.310	0.634	20	50		DCGDHL
CC(C)NC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000266488447	962757792	/nfs/dbraw/zinc/75/77/92/962757792.db2.gz	UZWVJHJUVRAUPS-UHFFFAOYSA-N	-3	3	319.314	0.425	20	50		DCGDHL
Cc1cc(S(=O)(=O)[N-][N-]C(=O)N(C)C)ccc1C(=O)[O-]	ZINC000285241646	962882834	/nfs/dbraw/zinc/88/28/34/962882834.db2.gz	WDETXNRGLIKAPF-UHFFFAOYSA-N	-3	3	301.324	0.158	20	50		DCGDHL
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000298848568	962932307	/nfs/dbraw/zinc/93/23/07/962932307.db2.gz	JYLCENJVPOZQGW-UHFFFAOYSA-N	-3	3	318.326	0.880	20	50		DCGDHL
CN1CCN(C(=O)N[N-]C(=O)c2ccc(C(=O)[O-])cc2F)CC1	ZINC001598606334	993666639	/nfs/dbraw/zinc/66/66/39/993666639.db2.gz	ADNLCDQMYCKZHN-UHFFFAOYSA-N	-2	3	324.312	0.126	20	50		DCGDHL
O=C(CC1CCCC1)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1	ZINC000737813885	945129704	/nfs/dbraw/zinc/12/97/04/945129704.db2.gz	LLPOMOHJULIGBI-UHFFFAOYSA-N	-2	3	315.337	0.603	20	50		DCGDHL
Cc1ccc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)o1	ZINC000737313695	945037203	/nfs/dbraw/zinc/03/72/03/945037203.db2.gz	YEHDCOGWLCTQSZ-UHFFFAOYSA-N	-2	3	312.289	0.843	20	50		DCGDHL
Cc1ccc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)o1	ZINC000737313695	945037213	/nfs/dbraw/zinc/03/72/13/945037213.db2.gz	YEHDCOGWLCTQSZ-UHFFFAOYSA-N	-2	3	312.289	0.843	20	50		DCGDHL
Cc1ncsc1C(=O)[N-]NC(=O)c1cc(-c2nnn[n-]2)c[nH]1	ZINC000822481703	946100954	/nfs/dbraw/zinc/10/09/54/946100954.db2.gz	BUPDSBWQFIDYRR-UHFFFAOYSA-N	-2	3	318.322	0.035	20	50		DCGDHL
Cc1ncsc1C(=O)[N-]NC(=O)c1cc(-c2nn[n-]n2)c[nH]1	ZINC000822481703	946100962	/nfs/dbraw/zinc/10/09/62/946100962.db2.gz	BUPDSBWQFIDYRR-UHFFFAOYSA-N	-2	3	318.322	0.035	20	50		DCGDHL
O=C([O-])c1cncc(NC(=O)N[N-]C(=O)CC(F)(F)F)c1	ZINC001594676051	956665714	/nfs/dbraw/zinc/66/57/14/956665714.db2.gz	UAQZGSZXNYSZJV-UHFFFAOYSA-N	-2	3	306.200	0.885	20	50		DCGDHL
CC(C)NC(=O)[N-][N-]S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000299326096	962934573	/nfs/dbraw/zinc/93/45/73/962934573.db2.gz	GVJVBVOCFKGTEU-UHFFFAOYSA-N	-3	3	307.353	0.347	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)c2ccc(NC(=O)[O-])cc2)cn1	ZINC000738405241	978535084	/nfs/dbraw/zinc/53/50/84/978535084.db2.gz	LJOWWKAVBQVHBW-UHFFFAOYSA-N	-2	3	303.278	0.585	20	50		DCGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)OCC(=O)NCCC(=O)[O-]	ZINC000833062703	601590553	/nfs/dbraw/zinc/59/05/53/601590553.db2.gz	DKVZHTAIXZYGAA-XFFZJAGNSA-N	-2	3	318.285	0.433	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)c([O-])c1	ZINC000830225151	603497607	/nfs/dbraw/zinc/49/76/07/603497607.db2.gz	GOMXSQWDVWIVDP-ZJUUUORDSA-N	-2	3	321.333	0.898	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@H]1CCC[C@H]1NC(=O)[O-]	ZINC000833911796	605927035	/nfs/dbraw/zinc/92/70/35/605927035.db2.gz	YVNVEFGTBZBDHX-VHSXEESVSA-N	-2	3	306.322	0.587	20	50		DCGDHL
O=C(NN=c1ncc(F)c[n-]1)c1ccc(-c2nn[n-]n2)cc1	ZINC000826449871	608038249	/nfs/dbraw/zinc/03/82/49/608038249.db2.gz	MXCWPXWSJVVOJX-UHFFFAOYSA-N	-2	3	300.257	0.553	20	50		DCGDHL
CC(C)(C)OC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1	ZINC000735639408	944680931	/nfs/dbraw/zinc/68/09/31/944680931.db2.gz	FVQDHTHJGFJVQF-UHFFFAOYSA-N	-2	3	305.298	0.431	20	50		DCGDHL
Cc1cc(C(=O)N[N-]C(=O)c2sccc2-c2nn[n-]n2)[nH]n1	ZINC000822176582	945972018	/nfs/dbraw/zinc/97/20/18/945972018.db2.gz	LMVFFOSCYJHZQB-UHFFFAOYSA-N	-2	3	318.322	0.035	20	50		DCGDHL
O=C([N-]NC(=O)C1CCC1)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000823273718	946386229	/nfs/dbraw/zinc/38/62/29/946386229.db2.gz	UZXJBTKDWRMIKP-UHFFFAOYSA-N	-2	3	322.275	0.706	20	50		DCGDHL
O=C([O-])CC[C@H]1C[C@H](C(=O)NNC(=O)c2ccccc2[O-])CO1	ZINC001595005771	951196824	/nfs/dbraw/zinc/19/68/24/951196824.db2.gz	QAHSBGSQCZPSGF-UWVGGRQHSA-N	-2	3	322.317	0.423	20	50		DCGDHL
CC[C@H](CNC(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC001589538790	955185980	/nfs/dbraw/zinc/18/59/80/955185980.db2.gz	NMABXBGMRBGCET-MRVPVSSYSA-N	-2	3	324.293	0.650	20	50		DCGDHL
CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000269113245	962771100	/nfs/dbraw/zinc/77/11/00/962771100.db2.gz	XSFGOWZMIAODDQ-SSDOTTSWSA-N	-3	3	318.326	0.880	20	50		DCGDHL
CC(C)CCC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000736427156	978333550	/nfs/dbraw/zinc/33/35/50/978333550.db2.gz	BNWKVYBCHKMXGV-UHFFFAOYSA-N	-3	3	304.324	0.724	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)NCCCCCCC(=O)[O-])cn1	ZINC000739023188	978613244	/nfs/dbraw/zinc/61/32/44/978613244.db2.gz	QIVNQJPJCYGBBR-UHFFFAOYSA-N	-2	3	311.342	0.399	20	50		DCGDHL
CC(C)C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000918062891	982686116	/nfs/dbraw/zinc/68/61/16/982686116.db2.gz	CARKWXVBWWAUSA-UHFFFAOYSA-N	-3	3	304.299	0.489	20	50		DCGDHL
CCCNC(=O)[N-][N-]S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000829513829	600678621	/nfs/dbraw/zinc/67/86/21/600678621.db2.gz	SHGDSILDVAXZNT-UHFFFAOYSA-N	-3	3	307.353	0.349	20	50		DCGDHL
CCNC(=O)[N-][N-]S(=O)(=O)c1ccc(C=CC(=O)[O-])cc1	ZINC000829799774	601327878	/nfs/dbraw/zinc/32/78/78/601327878.db2.gz	SBRGYKUEZWJMKR-VMPITWQZSA-N	-3	3	313.335	0.297	20	50		DCGDHL
Cc1ccc(C(=O)NNC(=O)CC2CN(C(=O)[O-])C2)c([O-])c1	ZINC000830224843	604061402	/nfs/dbraw/zinc/06/14/02/604061402.db2.gz	AJZOTFUNIWVCSA-UHFFFAOYSA-N	-2	3	307.306	0.462	20	50		DCGDHL
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833422365	604687325	/nfs/dbraw/zinc/68/73/25/604687325.db2.gz	ZDGIFHKCCOJHRT-UHFFFAOYSA-N	-3	3	301.324	0.135	20	50		DCGDHL
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)NN=c1cccn[n-]1	ZINC000826127272	604892483	/nfs/dbraw/zinc/89/24/83/604892483.db2.gz	SFKANYAFBMMFET-IUCAKERBSA-N	-2	3	324.341	0.606	20	50		DCGDHL
Cc1cc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)no1	ZINC000737236947	945016681	/nfs/dbraw/zinc/01/66/81/945016681.db2.gz	VJLVFFNTJOYNDM-UHFFFAOYSA-N	-2	3	313.277	0.238	20	50		DCGDHL
Cc1cc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)no1	ZINC000737236947	945016687	/nfs/dbraw/zinc/01/66/87/945016687.db2.gz	VJLVFFNTJOYNDM-UHFFFAOYSA-N	-2	3	313.277	0.238	20	50		DCGDHL
NC(=O)c1ccc(=NNC(=O)c2cccc(C(=O)[O-])c2)[n-]n1	ZINC000821353014	955501409	/nfs/dbraw/zinc/50/14/09/955501409.db2.gz	HXLMWGQRFITBRF-UHFFFAOYSA-N	-2	3	301.262	0.031	20	50		DCGDHL
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)N(C)C	ZINC000299619722	962936918	/nfs/dbraw/zinc/93/69/18/962936918.db2.gz	QAXDSGHEZVWGAG-UHFFFAOYSA-N	-3	3	319.314	0.297	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)c2coc(/C=C/C(=O)[O-])c2)cn1	ZINC001605481431	973601742	/nfs/dbraw/zinc/60/17/42/973601742.db2.gz	ZKYUMFUJFVDJJY-NSCUHMNNSA-N	-2	3	304.262	0.186	20	50		DCGDHL
O=C([O-])c1ccc(C(=O)[N-]NC(=O)Cc2ccc(F)cc2)nc1	ZINC001605709450	974138430	/nfs/dbraw/zinc/13/84/30/974138430.db2.gz	KBHYQFDTEUSNIK-UHFFFAOYSA-N	-2	3	317.276	0.923	20	50		DCGDHL
Cc1n[nH]cc1C(=O)[N-]NC(=O)c1cccc(NC(=O)[O-])c1	ZINC000738828239	978603497	/nfs/dbraw/zinc/60/34/97/978603497.db2.gz	UNWZFWMGBLQMPG-UHFFFAOYSA-N	-2	3	303.278	0.883	20	50		DCGDHL
O=C([O-])[C@H]1C[C@@H]1C(=O)N[N-]C(=O)c1cnn(-c2ccccc2)c1	ZINC000739455294	978641249	/nfs/dbraw/zinc/64/12/49/978641249.db2.gz	YMSADJGFRQMZAS-RYUDHWBXSA-N	-2	3	314.301	0.354	20	50		DCGDHL
CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)C(C)C	ZINC001597785967	989308300	/nfs/dbraw/zinc/30/83/00/989308300.db2.gz	WKOLFXMNQOUZRM-UHFFFAOYSA-N	-3	3	304.324	0.506	20	50		DCGDHL
CC(C)NC(=O)[N-][N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC000833503109	604744851	/nfs/dbraw/zinc/74/48/51/604744851.db2.gz	NEGGZYBTJLVJFO-UHFFFAOYSA-N	-3	3	319.314	0.425	20	50		DCGDHL
Cc1n[nH]cc1C(=O)[N-]NC(=O)CN(C(=O)[O-])c1ccccc1	ZINC000830678215	605301746	/nfs/dbraw/zinc/30/17/46/605301746.db2.gz	NDOFYBNLDVLCHZ-UHFFFAOYSA-N	-2	3	317.305	0.664	20	50		DCGDHL
O=C([O-])NCC(=O)N[N-]C(=O)c1cc(Cl)nc(Cl)c1	ZINC000834203215	605471600	/nfs/dbraw/zinc/47/16/00/605471600.db2.gz	KSZKLFOGTCZMDM-UHFFFAOYSA-N	-2	3	307.093	0.417	20	50		DCGDHL
Cc1cccnc1C(=O)[N-]NC(=O)[C@H](CC(F)F)NC(=O)[O-]	ZINC000833910199	606079942	/nfs/dbraw/zinc/07/99/42/606079942.db2.gz	HYYBMQHZEJNZTL-ZETCQYMHSA-N	-2	3	316.264	0.442	20	50		DCGDHL
O=C([O-])Cn1ccc(NC(=O)NN=c2ccc(Cl)n[n-]2)n1	ZINC001602165739	971160463	/nfs/dbraw/zinc/16/04/63/971160463.db2.gz	YSPGOXKNXDYFGB-UHFFFAOYSA-N	-2	3	311.689	0.560	20	50		DCGDHL
O=C([O-])[C@H](C(=O)NN=c1ncc(Br)c[n-]1)C1CC1	ZINC000852953608	955878572	/nfs/dbraw/zinc/87/85/72/955878572.db2.gz	VJNKDILWXBYVRC-ZETCQYMHSA-N	-2	3	315.127	0.793	20	50		DCGDHL
O=C([O-])c1csc(S(=O)(=O)[N-][N-]C(=O)C2CCC2)c1	ZINC000264682845	962753623	/nfs/dbraw/zinc/75/36/23/962753623.db2.gz	ANSULPKNWXKOOX-UHFFFAOYSA-N	-3	3	304.349	0.556	20	50		DCGDHL
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000267229128	962763945	/nfs/dbraw/zinc/76/39/45/962763945.db2.gz	KPKRIEGSUIZIEG-UHFFFAOYSA-N	-3	3	318.326	0.880	20	50		DCGDHL
C[C@H]1CN(C(=O)/C(C#N)=C\c2ccc([O-])cc2)C[C@@H](C(=O)[O-])O1	ZINC001599913508	985020288	/nfs/dbraw/zinc/02/02/88/985020288.db2.gz	UYSZRAWPNJHQKQ-FAGUIMJQSA-N	-2	3	316.313	1.000	20	50		DCGDHL
O=C([O-])c1ccc(C(=O)[N-]NC(=O)Cc2ccncc2)nc1	ZINC000833118101	601293709	/nfs/dbraw/zinc/29/37/09/601293709.db2.gz	INTXBRVLNRJPDL-UHFFFAOYSA-N	-2	3	300.274	0.179	20	50		DCGDHL
O=C([O-])N1CC[C@@](F)(C(=O)N[N-]C(=O)c2ccccc2F)C1	ZINC000831736444	603815047	/nfs/dbraw/zinc/81/50/47/603815047.db2.gz	LZNUKDQMXOCCSA-ZDUSSCGKSA-N	-2	3	313.260	0.679	20	50		DCGDHL
Cn1cc(C(=O)[N-]NC(=O)[C@@]2(C)CCCCN2C(=O)[O-])cn1	ZINC000833943379	605872002	/nfs/dbraw/zinc/87/20/02/605872002.db2.gz	KHVOLZUENUUUOT-CYBMUJFWSA-N	-2	3	309.326	0.104	20	50		DCGDHL
O=C(NN=c1ncc(F)c[n-]1)c1ccc(-c2nnn[n-]2)s1	ZINC000826450174	608038425	/nfs/dbraw/zinc/03/84/25/608038425.db2.gz	ZVCKEJHTKNBCEX-UHFFFAOYSA-N	-2	3	306.286	0.614	20	50		DCGDHL
O=C(NN=c1ncc(F)c[n-]1)c1ccc(-c2nn[n-]n2)s1	ZINC000826450174	608038426	/nfs/dbraw/zinc/03/84/26/608038426.db2.gz	ZVCKEJHTKNBCEX-UHFFFAOYSA-N	-2	3	306.286	0.614	20	50		DCGDHL