smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@@H]1CCC[C@H](C(=O)N[N-]C(=O)c2cc(F)ccc2Br)C1	ZINC000833149457	600930657	/nfs/dbraw/zinc/93/06/57/600930657.db2.gz	QUXHODNNDRGTIZ-DTWKUNHWSA-N	-2	1	387.205	2.240	20	50		GEGDML
O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]NC(=O)c2cc3ccccc3o2)c1	ZINC000833297340	601388004	/nfs/dbraw/zinc/38/80/04/601388004.db2.gz	LUIKCMVWVQLLSG-UHFFFAOYSA-N	-2	1	394.792	2.408	20	50		GEGDML
O=C([O-])NC[C@H](C(=O)N[N-]C(=O)c1ccc(Cl)cc1F)c1ccccc1	ZINC000832407479	603514849	/nfs/dbraw/zinc/51/48/49/603514849.db2.gz	JOSJROUUWGXPRE-ZDUSSCGKSA-N	-2	1	379.775	2.292	20	50		GEGDML
CCc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)n[nH]2)cc1	ZINC000830228820	604709636	/nfs/dbraw/zinc/70/96/36/604709636.db2.gz	GIXOXZZCNZDCTR-LSDHHAIUSA-N	-2	1	384.436	2.291	20	50		GEGDML
Cc1ccc(C)c(-c2cc(C(=O)[N-]NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)n[nH]2)c1	ZINC000832923720	604711206	/nfs/dbraw/zinc/71/12/06/604711206.db2.gz	BQTKSKZSMOLOJE-KBPBESRZSA-N	-2	1	384.436	2.346	20	50		GEGDML
C[C@H](NC(=O)N[N-]C(=O)c1ccc(Cl)cc1F)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000825172047	603569512	/nfs/dbraw/zinc/56/95/12/603569512.db2.gz	PILMABZTUJLBQJ-VHSXEESVSA-N	-2	1	386.811	2.202	20	50		GEGDML
Cc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)n[nH]2)cc1C	ZINC000832905550	604708670	/nfs/dbraw/zinc/70/86/70/604708670.db2.gz	BFAVSAYTDQMDNR-LSDHHAIUSA-N	-2	1	384.436	2.346	20	50		GEGDML
CCc1[nH]c(C(=O)N[N-]C(=O)c2cc(-c3cccs3)[nH]n2)c(C)c1C(=O)[O-]	ZINC000830197497	604709452	/nfs/dbraw/zinc/70/94/52/604709452.db2.gz	WCOZYUFAQUGXHV-UHFFFAOYSA-N	-2	1	387.421	2.110	20	50		GEGDML
CCc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@@H](CC(C)C)NC(=O)[O-])n[nH]2)cc1	ZINC000830228954	604709672	/nfs/dbraw/zinc/70/96/72/604709672.db2.gz	JOACIYFYCXMLDC-OAHLLOKOSA-N	-2	1	387.440	2.082	20	50		GEGDML
O=C([O-])Nc1ccc(CC(=O)N[N-]C(=O)c2cc(-c3cccs3)[nH]n2)cc1	ZINC000832842074	604925899	/nfs/dbraw/zinc/92/58/99/604925899.db2.gz	XOVFWDJIEDOQML-UHFFFAOYSA-N	-2	1	385.405	2.232	20	50		GEGDML
O=C([O-])N1CCSC[C@H]1CC(=O)N[N-]C(=O)c1c(Cl)cccc1Cl	ZINC000831414188	605673949	/nfs/dbraw/zinc/67/39/49/605673949.db2.gz	KQGSKIQHTPGTHO-MRVPVSSYSA-N	-2	1	392.264	2.240	20	50		GEGDML
O=C([O-])c1ccc(CCC(=O)N[N-]C(=O)c2cc(-c3cccs3)[nH]n2)cc1	ZINC000833102272	604281863	/nfs/dbraw/zinc/28/18/63/604281863.db2.gz	QCQDKLNKTJXVMD-UHFFFAOYSA-N	-2	1	384.417	2.230	20	50		GEGDML
Cc1ccc(C)c(-c2cc(C(=O)[N-]NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)n[nH]2)c1	ZINC000832923722	604710913	/nfs/dbraw/zinc/71/09/13/604710913.db2.gz	BQTKSKZSMOLOJE-UONOGXRCSA-N	-2	1	384.436	2.346	20	50		GEGDML
C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)c1cc(Br)ccc1[O-]	ZINC000833407047	605040945	/nfs/dbraw/zinc/04/09/45/605040945.db2.gz	QNAWKZFQDPYIGF-VIFPVBQESA-N	-2	1	380.198	2.366	20	50		GEGDML
O=C([O-])N1CCOC[C@H]1[C@H]1CCCC1=NNC(=O)c1cc(Cl)ccc1[O-]	ZINC000834045017	605740212	/nfs/dbraw/zinc/74/02/12/605740212.db2.gz	KZKUEONAFVQQNO-FZMZJTMJSA-N	-2	1	381.816	2.310	20	50		GEGDML
CC(=O)c1[nH]c(CC(=O)N[N-]C(=O)c2ccc(Cl)cc2F)c(C(=O)[O-])c1C	ZINC000825937177	601271834	/nfs/dbraw/zinc/27/18/34/601271834.db2.gz	SOHYXCOILCTCCC-UHFFFAOYSA-N	-2	1	395.774	2.020	20	50		GEGDML
COc1ccc(CNC(=O)N[N-]C(=O)c2ccc(Cl)cc2F)cc1C(=O)[O-]	ZINC000832329602	601315797	/nfs/dbraw/zinc/31/57/97/601315797.db2.gz	GVUHIOIWCCOGJH-UHFFFAOYSA-N	-2	1	395.774	2.330	20	50		GEGDML
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl	ZINC000826116253	603743728	/nfs/dbraw/zinc/74/37/28/603743728.db2.gz	QPEJGLCBOWZQBZ-HQJQHLMTSA-N	-2	1	390.223	2.258	20	50		GEGDML
Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)CC1(NC(=O)[O-])CCC1	ZINC000830698252	604063544	/nfs/dbraw/zinc/06/35/44/604063544.db2.gz	KINRSEURZRGMHJ-UHFFFAOYSA-N	-2	1	388.449	2.460	20	50		GEGDML
Cc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)n[nH]2)cc1C	ZINC000832905542	604708799	/nfs/dbraw/zinc/70/87/99/604708799.db2.gz	BFAVSAYTDQMDNR-CABCVRRESA-N	-2	1	384.436	2.346	20	50		GEGDML
O=C([O-])c1ccc(OCCNC(=O)N[N-]C(=O)c2ccc(Cl)cc2F)cc1	ZINC000833142486	601316622	/nfs/dbraw/zinc/31/66/22/601316622.db2.gz	JVYXBOIIFOLNPT-UHFFFAOYSA-N	-2	1	395.774	2.200	20	50		GEGDML
O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)c(Cl)cc1Cl	ZINC000833148230	601327576	/nfs/dbraw/zinc/32/75/76/601327576.db2.gz	FUIAEBAJPXESMB-UHFFFAOYSA-N	-3	1	396.252	2.127	20	50		GEGDML
O=C([O-])N[C@H](Cc1ccccc1)C(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC000832148026	603539644	/nfs/dbraw/zinc/53/96/44/603539644.db2.gz	MTLHHOMXXDUKIE-CQSZACIVSA-N	-2	1	379.775	2.119	20	50		GEGDML
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl	ZINC000826116254	603744065	/nfs/dbraw/zinc/74/40/65/603744065.db2.gz	QPEJGLCBOWZQBZ-RDDDGLTNSA-N	-2	1	390.223	2.258	20	50		GEGDML
Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]NC(=O)CCCNC(=O)[O-]	ZINC000833935278	605978959	/nfs/dbraw/zinc/97/89/59/605978959.db2.gz	FJDAXVZLUSUESM-UHFFFAOYSA-N	-2	1	380.788	2.112	20	50		GEGDML
O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC000832516790	603535645	/nfs/dbraw/zinc/53/56/45/603535645.db2.gz	ZQNWWFHUJXYDME-RNCFNFMXSA-N	-2	1	386.811	2.250	20	50		GEGDML
CCc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)n[nH]2)cc1	ZINC000830228819	604709652	/nfs/dbraw/zinc/70/96/52/604709652.db2.gz	GIXOXZZCNZDCTR-HUUCEWRRSA-N	-2	1	384.436	2.291	20	50		GEGDML
O=C([O-])N1CCSC[C@@H]1CC(=O)N[N-]C(=O)c1c(Cl)cccc1Cl	ZINC000831414190	605673936	/nfs/dbraw/zinc/67/39/36/605673936.db2.gz	KQGSKIQHTPGTHO-QMMMGPOBSA-N	-2	1	392.264	2.240	20	50		GEGDML
Cc1oc(S(=O)(=O)[N-][N-]C(=O)c2c(Cl)cccc2Cl)cc1C(=O)[O-]	ZINC000833026984	601234100	/nfs/dbraw/zinc/23/41/00/601234100.db2.gz	MIEZPXYMINMJER-UHFFFAOYSA-N	-3	1	393.204	2.216	20	50		GEGDML
O=C([O-])Nc1cccc(CC(=O)N[N-]C(=O)c2cc(-c3ccccc3)[nH]n2)c1	ZINC000834266718	605802609	/nfs/dbraw/zinc/80/26/09/605802609.db2.gz	HLWUIEIDXAGJCH-UHFFFAOYSA-N	-2	1	379.376	2.170	20	50		GEGDML
O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)NC2CCCCC2)c(Cl)cc1F	ZINC000833148914	601831641	/nfs/dbraw/zinc/83/16/41/601831641.db2.gz	UIWXEQLPFWFYRW-UHFFFAOYSA-N	-3	1	393.824	2.003	20	50		GEGDML
O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC000832516789	603535674	/nfs/dbraw/zinc/53/56/74/603535674.db2.gz	ZQNWWFHUJXYDME-NOZJJQNGSA-N	-2	1	386.811	2.250	20	50		GEGDML
Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)C(C)(C)CNC(=O)[O-]	ZINC000830697980	603616261	/nfs/dbraw/zinc/61/62/61/603616261.db2.gz	HYBKMKYWIPWBSX-UHFFFAOYSA-N	-2	1	376.438	2.173	20	50		GEGDML
Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)[C@@]1(C)CCN(C(=O)[O-])C1	ZINC000830698871	603865235	/nfs/dbraw/zinc/86/52/35/603865235.db2.gz	STJPAFYFVVBUPF-SFHVURJKSA-N	-2	1	388.449	2.270	20	50		GEGDML
COc1ccccc1-c1cc(C(=O)[N-]NC(=O)c2cccc(NC(=O)[O-])c2)n[nH]1	ZINC000832577759	604280875	/nfs/dbraw/zinc/28/08/75/604280875.db2.gz	QDBNFWNSAFSLLJ-UHFFFAOYSA-N	-2	1	395.375	2.250	20	50		GEGDML
CCc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)n[nH]2)cc1	ZINC000830228817	604709586	/nfs/dbraw/zinc/70/95/86/604709586.db2.gz	GIXOXZZCNZDCTR-CABCVRRESA-N	-2	1	384.436	2.291	20	50		GEGDML
CCc1[nH]c(C(=O)N[N-]C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c(C)c1C(=O)[O-]	ZINC000830196116	604709630	/nfs/dbraw/zinc/70/96/30/604709630.db2.gz	HJIHEZYBMKRTFQ-UHFFFAOYSA-N	-2	1	399.382	2.188	20	50		GEGDML
Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)[C@]1(C)CCN(C(=O)[O-])C1	ZINC000830698870	603865117	/nfs/dbraw/zinc/86/51/17/603865117.db2.gz	STJPAFYFVVBUPF-GOSISDBHSA-N	-2	1	388.449	2.270	20	50		GEGDML
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl	ZINC000826116252	603744176	/nfs/dbraw/zinc/74/41/76/603744176.db2.gz	QPEJGLCBOWZQBZ-CPCISQLKSA-N	-2	1	390.223	2.258	20	50		GEGDML
Cc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@H](CC(C)C)NC(=O)[O-])n[nH]2)cc1C	ZINC000832905610	604708834	/nfs/dbraw/zinc/70/88/34/604708834.db2.gz	DKYCVCBJPADJQC-HNNXBMFYSA-N	-2	1	387.440	2.137	20	50		GEGDML
O=C([O-])COc1cccc(CNC(=O)N[N-]C(=O)c2ccc(Cl)cc2F)c1	ZINC000833259286	601304297	/nfs/dbraw/zinc/30/42/97/601304297.db2.gz	KITMUJHNYNBMBS-UHFFFAOYSA-N	-2	1	395.774	2.087	20	50		GEGDML
Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)C[C@H]1CCCN1C(=O)[O-]	ZINC000830699136	603230671	/nfs/dbraw/zinc/23/06/71/603230671.db2.gz	XNBZUOXTDVYFSO-CYBMUJFWSA-N	-2	1	388.449	2.412	20	50		GEGDML
O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC000832516791	603535659	/nfs/dbraw/zinc/53/56/59/603535659.db2.gz	ZQNWWFHUJXYDME-TVQRCGJNSA-N	-2	1	386.811	2.250	20	50		GEGDML
C[C@@H](NC(=O)N[N-]C(=O)c1ccc(Cl)cc1F)[C@H]1CCCN(C(=O)[O-])C1	ZINC000825172048	603569322	/nfs/dbraw/zinc/56/93/22/603569322.db2.gz	PILMABZTUJLBQJ-ZJUUUORDSA-N	-2	1	386.811	2.202	20	50		GEGDML
O=C([O-])c1ccc(C(=O)N[N-]C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1F	ZINC000833149240	604833772	/nfs/dbraw/zinc/83/37/72/604833772.db2.gz	JYGOCYOLOMPVSJ-UHFFFAOYSA-N	-2	1	386.314	2.128	20	50		GEGDML
O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)N[N-]C(=O)c1ccc(Cl)cc1F)C2	ZINC000831742521	603534919	/nfs/dbraw/zinc/53/49/19/603534919.db2.gz	IYNPWPQFPMHGGS-FGWVZKOKSA-N	-2	1	384.795	2.097	20	50		GEGDML
C[C@H](NC(=O)N[N-]C(=O)c1ccc(Cl)cc1F)[C@H]1CCCN(C(=O)[O-])C1	ZINC000825172046	603569159	/nfs/dbraw/zinc/56/91/59/603569159.db2.gz	PILMABZTUJLBQJ-UWVGGRQHSA-N	-2	1	386.811	2.202	20	50		GEGDML
Cc1ccc(C)c(-c2cc(C(=O)[N-]NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)n[nH]2)c1	ZINC000832923721	604710595	/nfs/dbraw/zinc/71/05/95/604710595.db2.gz	BQTKSKZSMOLOJE-KGLIPLIRSA-N	-2	1	384.436	2.346	20	50		GEGDML
O=C([O-])N1CCOC[C@H]1[C@@H]1CCCC1=NNC(=O)c1cc(Cl)ccc1[O-]	ZINC000834045018	605740596	/nfs/dbraw/zinc/74/05/96/605740596.db2.gz	KZKUEONAFVQQNO-RISCZKNCSA-N	-2	1	381.816	2.310	20	50		GEGDML
Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)NCC(C)(C)C(=O)[O-]	ZINC000832992378	601665440	/nfs/dbraw/zinc/66/54/40/601665440.db2.gz	HRXXJWOGHCBYAI-UHFFFAOYSA-N	-2	1	376.438	2.173	20	50		GEGDML
Cc1cc(C(=O)NNC(=O)c2cc(Cl)ccc2[O-])cc(C)c1OCC(=O)[O-]	ZINC000832864342	601756138	/nfs/dbraw/zinc/75/61/38/601756138.db2.gz	BAJRHZZUTUXFES-UHFFFAOYSA-N	-2	1	392.795	2.201	20	50		GEGDML
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl	ZINC000826116255	603744150	/nfs/dbraw/zinc/74/41/50/603744150.db2.gz	QPEJGLCBOWZQBZ-WRWORJQWSA-N	-2	1	390.223	2.258	20	50		GEGDML
O=C([O-])Nc1cccc(C(=O)N[N-]C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1	ZINC000833291843	604285457	/nfs/dbraw/zinc/28/54/57/604285457.db2.gz	VWGAVSCLTSJQKL-UHFFFAOYSA-N	-2	1	383.339	2.381	20	50		GEGDML
Cc1ccc(-c2cc(C(=O)[N-]NC(=O)c3ccc(C(=O)[O-])c(F)c3)n[nH]2)cc1	ZINC000832906294	604813330	/nfs/dbraw/zinc/81/33/30/604813330.db2.gz	WLQVAUNKZFHGOA-UHFFFAOYSA-N	-2	1	382.351	2.297	20	50		GEGDML
O=C([O-])Nc1ccccc1CC(=O)N[N-]C(=O)c1cc(-c2ccccc2)[nH]n1	ZINC000834275131	606082502	/nfs/dbraw/zinc/08/25/02/606082502.db2.gz	ZMOVQTASIDMVPQ-UHFFFAOYSA-N	-2	1	379.376	2.170	20	50		GEGDML
O=C(NN=c1[n-]c(-c2ccc(Cl)cc2)no1)c1ccc(-c2nnn[n-]2)s1	ZINC000823280616	606561445	/nfs/dbraw/zinc/56/14/45/606561445.db2.gz	DIQHOJJCNHGKDC-UHFFFAOYSA-N	-2	1	388.800	2.389	20	50		GEGDML
O=C(NN=c1[n-]c(-c2ccc(Cl)cc2)no1)c1ccc(-c2nn[n-]n2)s1	ZINC000823280616	606561447	/nfs/dbraw/zinc/56/14/47/606561447.db2.gz	DIQHOJJCNHGKDC-UHFFFAOYSA-N	-2	1	388.800	2.389	20	50		GEGDML
Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)CN(CC1CC1)C(=O)[O-]	ZINC000830698573	603230049	/nfs/dbraw/zinc/23/00/49/603230049.db2.gz	NXKWWDVLFVXSCX-UHFFFAOYSA-N	-2	1	388.449	2.270	20	50		GEGDML
C[C@@H](NC(=O)N[N-]C(=O)c1ccc(Cl)cc1F)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000825172043	603569610	/nfs/dbraw/zinc/56/96/10/603569610.db2.gz	PILMABZTUJLBQJ-NXEZZACHSA-N	-2	1	386.811	2.202	20	50		GEGDML
Cc1cccc(S(=O)(=O)N[N-]C(=O)c2ccc(Cl)cc2F)c1C(=O)[O-]	ZINC000832972492	601335636	/nfs/dbraw/zinc/33/56/36/601335636.db2.gz	DCLMETJBROFKRC-UHFFFAOYSA-N	-2	1	386.788	2.109	20	50		GEGDML
Cc1nn(-c2ccccc2)c2sc(C(=O)[N-]NC(=O)[C@H](C)CC(=O)[O-])cc12	ZINC000833011000	602266519	/nfs/dbraw/zinc/26/65/19/602266519.db2.gz	AEFVZHMQRZIXHW-SNVBAGLBSA-N	-2	1	386.433	2.267	20	50		GEGDML
O=C([O-])N[C@@H](Cc1ccccc1)C(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC000832148025	603476578	/nfs/dbraw/zinc/47/65/78/603476578.db2.gz	MTLHHOMXXDUKIE-AWEZNQCLSA-N	-2	1	379.775	2.119	20	50		GEGDML
O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)NNC(=O)c1cc(Cl)ccc1[O-])C2	ZINC000831308209	603823917	/nfs/dbraw/zinc/82/39/17/603823917.db2.gz	OFMZEHBBRHYTMG-CLYYMRHHSA-N	-2	1	381.816	2.118	20	50		GEGDML
O=C([O-])[C@H]1CCC[C@H](C(=O)N[N-]C(=O)c2cc(F)ccc2Br)C1	ZINC000833149458	600930445	/nfs/dbraw/zinc/93/04/45/600930445.db2.gz	QUXHODNNDRGTIZ-IUCAKERBSA-N	-2	1	387.205	2.240	20	50		GEGDML
O=C([O-])NC[C@@H](C(=O)N[N-]C(=O)c1ccc(Cl)cc1F)c1ccccc1	ZINC000832407478	603515012	/nfs/dbraw/zinc/51/50/12/603515012.db2.gz	JOSJROUUWGXPRE-CYBMUJFWSA-N	-2	1	379.775	2.292	20	50		GEGDML
Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)[C@@H](C)CN(C)C(=O)[O-]	ZINC000830696943	604062921	/nfs/dbraw/zinc/06/29/21/604062921.db2.gz	BPYKGURCGAGOPD-JTQLQIEISA-N	-2	1	376.438	2.125	20	50		GEGDML
O=C([O-])Nc1ccc(C(=O)N[N-]C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1	ZINC000833282825	604285604	/nfs/dbraw/zinc/28/56/04/604285604.db2.gz	TYPZNCIERUZDJG-UHFFFAOYSA-N	-2	1	383.339	2.381	20	50		GEGDML
Cc1ccc(C)c(-c2cc(C(=O)[N-]NC(=O)c3cccc(C(=O)[O-])c3)n[nH]2)c1	ZINC000832923714	604281657	/nfs/dbraw/zinc/28/16/57/604281657.db2.gz	BLCSKLDZNVWQAQ-UHFFFAOYSA-N	-2	1	378.388	2.467	20	50		GEGDML
Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000830698325	605443646	/nfs/dbraw/zinc/44/36/46/605443646.db2.gz	LJCSYFTVVQBEJH-CYBMUJFWSA-N	-2	1	388.449	2.270	20	50		GEGDML
O=C([N-]N=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1c(F)c(F)cc(F)c1F	ZINC000826445636	608577859	/nfs/dbraw/zinc/57/78/59/608577859.db2.gz	CLGQUYYXQXHJDG-UHFFFAOYSA-N	-2	1	387.684	2.228	20	50		GEGDML
C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)c1cc(Br)ccc1[O-]	ZINC000833407045	605041037	/nfs/dbraw/zinc/04/10/37/605041037.db2.gz	QNAWKZFQDPYIGF-SECBINFHSA-N	-2	1	380.198	2.366	20	50		GEGDML
O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]NC(=O)c1cc2ccccc2o1	ZINC000833148709	601387986	/nfs/dbraw/zinc/38/79/86/601387986.db2.gz	QBUPRYOFBHTOFE-UHFFFAOYSA-N	-2	1	394.792	2.408	20	50		GEGDML
O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC000832516792	603535796	/nfs/dbraw/zinc/53/57/96/603535796.db2.gz	ZQNWWFHUJXYDME-ZANVPECISA-N	-2	1	386.811	2.250	20	50		GEGDML
COc1ccccc1-c1cc(C(=O)[N-]NC(=O)c2ccc(NC(=O)[O-])cc2)n[nH]1	ZINC000832578625	604281121	/nfs/dbraw/zinc/28/11/21/604281121.db2.gz	ZBKVQTWDJTWCHB-UHFFFAOYSA-N	-2	1	395.375	2.250	20	50		GEGDML
CCc1[nH]c(C(=O)N[N-]C(=O)c2cc(-c3ccccc3)[nH]n2)c(C)c1C(=O)[O-]	ZINC000830195762	604703335	/nfs/dbraw/zinc/70/33/35/604703335.db2.gz	ABTLYNAZPKXWET-UHFFFAOYSA-N	-2	1	381.392	2.049	20	50		GEGDML
CCc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@H](CC(C)C)NC(=O)[O-])n[nH]2)cc1	ZINC000830228953	604709667	/nfs/dbraw/zinc/70/96/67/604709667.db2.gz	JOACIYFYCXMLDC-HNNXBMFYSA-N	-2	1	387.440	2.082	20	50		GEGDML
Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)[C@H]1CCCN(C(=O)[O-])C1	ZINC000830698326	605443584	/nfs/dbraw/zinc/44/35/84/605443584.db2.gz	LJCSYFTVVQBEJH-ZDUSSCGKSA-N	-2	1	388.449	2.270	20	50		GEGDML
O=C([O-])NCC(=O)N[N-]C(=O)c1sc(-c2ccco2)nc1-c1ccccc1	ZINC000834202886	605466880	/nfs/dbraw/zinc/46/68/80/605466880.db2.gz	GJOQXODEHDSCIS-UHFFFAOYSA-N	-2	1	386.389	2.099	20	50		GEGDML
O=C([O-])Nc1cccc(CC(=O)N[N-]C(=O)c2cc(-c3cccs3)[nH]n2)c1	ZINC000834267227	605804157	/nfs/dbraw/zinc/80/41/57/605804157.db2.gz	SPCISXBWCACXCH-UHFFFAOYSA-N	-2	1	385.405	2.232	20	50		GEGDML
O=C([O-])Nc1ccccc1CC(=O)N[N-]C(=O)c1cc(-c2cccs2)[nH]n1	ZINC000834274993	606084308	/nfs/dbraw/zinc/08/43/08/606084308.db2.gz	VRSQXCRMNGJKPW-UHFFFAOYSA-N	-2	1	385.405	2.232	20	50		GEGDML
Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)c1ccnc(C(=O)[O-])c1	ZINC000832992365	601242617	/nfs/dbraw/zinc/24/26/17/601242617.db2.gz	HHCKQLQKLJXBJY-UHFFFAOYSA-N	-2	1	382.401	2.287	20	50		GEGDML
Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)C[C@@H]1CCCN1C(=O)[O-]	ZINC000830699139	603230693	/nfs/dbraw/zinc/23/06/93/603230693.db2.gz	XNBZUOXTDVYFSO-ZDUSSCGKSA-N	-2	1	388.449	2.412	20	50		GEGDML
O=C([O-])c1ccc(CCC(=O)N[N-]C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1	ZINC000833103009	604284807	/nfs/dbraw/zinc/28/48/07/604284807.db2.gz	ZYUTWWVOEBFXOD-UHFFFAOYSA-N	-2	1	396.378	2.308	20	50		GEGDML
Cc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@@H](CC(C)C)NC(=O)[O-])n[nH]2)cc1C	ZINC000832905613	604708760	/nfs/dbraw/zinc/70/87/60/604708760.db2.gz	DKYCVCBJPADJQC-OAHLLOKOSA-N	-2	1	387.440	2.137	20	50		GEGDML
Cc1[nH]c(C(=O)N[N-]C(=O)c2cc(-c3cc(C)ccc3C)[nH]n2)c(C)c1C(=O)[O-]	ZINC000832925502	604710852	/nfs/dbraw/zinc/71/08/52/604710852.db2.gz	WIPCOSNOHIYKDT-UHFFFAOYSA-N	-2	1	395.419	2.411	20	50		GEGDML
O=C([O-])N1CCOC[C@@H]1[C@@H]1CCCC1=NNC(=O)c1cc(Cl)ccc1[O-]	ZINC000834045016	605740488	/nfs/dbraw/zinc/74/04/88/605740488.db2.gz	KZKUEONAFVQQNO-BXUZGUMPSA-N	-2	1	381.816	2.310	20	50		GEGDML
O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)C2CCCC2)c(Cl)cc1Cl	ZINC000833304245	601323736	/nfs/dbraw/zinc/32/37/36/601323736.db2.gz	UHQPAPQQBMIQRN-UHFFFAOYSA-N	-3	1	381.237	2.191	20	50		GEGDML
Cc1nn(-c2ccccc2)c2sc(C(=O)[N-]NC(=O)[C@@H](C)CC(=O)[O-])cc12	ZINC000833010999	602266597	/nfs/dbraw/zinc/26/65/97/602266597.db2.gz	AEFVZHMQRZIXHW-JTQLQIEISA-N	-2	1	386.433	2.267	20	50		GEGDML
Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)NCC(C)(C)NC(=O)[O-]	ZINC000830699190	603445332	/nfs/dbraw/zinc/44/53/32/603445332.db2.gz	YAYVEVBZSPQJRJ-UHFFFAOYSA-N	-2	1	391.453	2.109	20	50		GEGDML
O=C([O-])NCCCC(=O)N[N-]C(=O)c1cc2c(s1)-c1ccccc1OC2	ZINC000834230136	605975082	/nfs/dbraw/zinc/97/50/82/605975082.db2.gz	SGSJNVFNWQFIOF-UHFFFAOYSA-N	-2	1	375.406	2.116	20	50		GEGDML
Cc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)n[nH]2)cc1C	ZINC000832905546	604708738	/nfs/dbraw/zinc/70/87/38/604708738.db2.gz	BFAVSAYTDQMDNR-GJZGRUSLSA-N	-2	1	384.436	2.346	20	50		GEGDML
CCc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)n[nH]2)cc1	ZINC000830228818	604709460	/nfs/dbraw/zinc/70/94/60/604709460.db2.gz	GIXOXZZCNZDCTR-GJZGRUSLSA-N	-2	1	384.436	2.291	20	50		GEGDML
Cc1ccc(C)c(-c2cc(C(=O)[N-]NC(=O)[C@@H](CC(C)C)NC(=O)[O-])n[nH]2)c1	ZINC000832924867	604710762	/nfs/dbraw/zinc/71/07/62/604710762.db2.gz	ONJLLKRHRWAQLM-OAHLLOKOSA-N	-2	1	387.440	2.137	20	50		GEGDML
CC(C)(CC(=O)[O-])CC(=O)N[N-]C(=O)c1cc(F)ccc1Br	ZINC000833454560	605706698	/nfs/dbraw/zinc/70/66/98/605706698.db2.gz	MPEOVFHSFYBJQN-UHFFFAOYSA-N	-2	1	375.194	2.240	20	50		GEGDML
O=C([O-])c1cc(C(=O)N[N-]C(=O)c2ccc(Cl)cc2F)cc([N+](=O)[O-])c1	ZINC000833297874	601272256	/nfs/dbraw/zinc/27/22/56/601272256.db2.gz	KZGQTHMDIXZBNW-UHFFFAOYSA-N	-2	1	381.703	2.160	20	50		GEGDML
O=C([O-])Nc1cc(C(=O)N[N-]C(=O)c2cc(-c3cccs3)[nH]n2)ccc1F	ZINC000832820395	604925846	/nfs/dbraw/zinc/92/58/46/604925846.db2.gz	AHHFRKDJLPEFGH-UHFFFAOYSA-N	-2	1	389.368	2.442	20	50		GEGDML
Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000830699047	603435301	/nfs/dbraw/zinc/43/53/01/603435301.db2.gz	VUJZCYUHSFSCSQ-CHWSQXEVSA-N	-2	1	388.449	2.316	20	50		GEGDML
Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000830699050	603435353	/nfs/dbraw/zinc/43/53/53/603435353.db2.gz	VUJZCYUHSFSCSQ-STQMWFEESA-N	-2	1	388.449	2.316	20	50		GEGDML
Cc1ccc(C)c(-c2cc(C(=O)[N-]NC(=O)[C@H](CC(C)C)NC(=O)[O-])n[nH]2)c1	ZINC000832924864	604710601	/nfs/dbraw/zinc/71/06/01/604710601.db2.gz	ONJLLKRHRWAQLM-HNNXBMFYSA-N	-2	1	387.440	2.137	20	50		GEGDML
CC(C)(C)OC(=O)N[N-]C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-]	ZINC000833442678	605018494	/nfs/dbraw/zinc/01/84/94/605018494.db2.gz	KCPQTVQKLXBVBB-UHFFFAOYSA-N	-2	1	385.398	2.331	20	50		GEGDML
O=C([O-])Nc1cccc(C(=O)NNC(=O)c2cc(Br)ccc2[O-])c1	ZINC000833291687	600782112	/nfs/dbraw/zinc/78/21/12/600782112.db2.gz	OVBZLYPNGINSLF-UHFFFAOYSA-N	-2	1	394.181	2.319	20	50		GEGDML
Cc1ccc(C)c(-c2cc(C(=O)[N-]NC(=O)c3ccc(C(=O)[O-])cc3)n[nH]2)c1	ZINC000832925487	604281814	/nfs/dbraw/zinc/28/18/14/604281814.db2.gz	VVDKXSHKSIMTPQ-UHFFFAOYSA-N	-2	1	378.388	2.467	20	50		GEGDML
Cc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)n[nH]2)cc1C	ZINC000832905548	604708697	/nfs/dbraw/zinc/70/86/97/604708697.db2.gz	BFAVSAYTDQMDNR-HUUCEWRRSA-N	-2	1	384.436	2.346	20	50		GEGDML
O=C([O-])N1CCOC[C@@H]1[C@H]1CCCC1=NNC(=O)c1cc(Cl)ccc1[O-]	ZINC000834045019	605740730	/nfs/dbraw/zinc/74/07/30/605740730.db2.gz	KZKUEONAFVQQNO-SMDDNHRTSA-N	-2	1	381.816	2.310	20	50		GEGDML
Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000830699049	603435393	/nfs/dbraw/zinc/43/53/93/603435393.db2.gz	VUJZCYUHSFSCSQ-QWHCGFSZSA-N	-2	1	388.449	2.316	20	50		GEGDML
O=C([O-])Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2[O-])cc1	ZINC000833282838	600782223	/nfs/dbraw/zinc/78/22/23/600782223.db2.gz	VKNJBOJXIIAQHO-UHFFFAOYSA-N	-2	1	394.181	2.319	20	50		GEGDML
O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)c2cc3ccccc3o2)c(F)cc1F	ZINC000833148996	601388192	/nfs/dbraw/zinc/38/81/92/601388192.db2.gz	VYVXEMGLOAHVSJ-UHFFFAOYSA-N	-2	1	396.327	2.033	20	50		GEGDML
Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000830699048	603435345	/nfs/dbraw/zinc/43/53/45/603435345.db2.gz	VUJZCYUHSFSCSQ-OLZOCXBDSA-N	-2	1	388.449	2.316	20	50		GEGDML
Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)[C@H](C)CN(C)C(=O)[O-]	ZINC000830696946	604063276	/nfs/dbraw/zinc/06/32/76/604063276.db2.gz	BPYKGURCGAGOPD-SNVBAGLBSA-N	-2	1	376.438	2.125	20	50		GEGDML
O=C([O-])NCC(=O)N[N-]C(=O)c1nc(-c2ccccc2)oc1-c1ccccc1	ZINC000834203411	605452550	/nfs/dbraw/zinc/45/25/50/605452550.db2.gz	SUYVXLYUNBMNAO-UHFFFAOYSA-N	-2	1	380.360	2.037	20	50		GEGDML
COc1cc(C)[n-]c(=NNC(=O)c2cc(Cl)c(NC(=O)[O-])cc2OC)n1	ZINC000829101959	603966834	/nfs/dbraw/zinc/96/68/34/603966834.db2.gz	PEEGZIPFZACSDC-UHFFFAOYSA-N	-2	1	381.776	2.302	20	50		GEGDML
O=C([O-])c1ccc(C(=O)NNC(=O)c2cc(Br)ccc2[O-])cc1F	ZINC000833149671	604295294	/nfs/dbraw/zinc/29/52/94/604295294.db2.gz	YLCMAUIUNHZUHE-UHFFFAOYSA-N	-2	1	397.156	2.067	20	50		GEGDML
Cc1ccc(C)c(-c2cc(C(=O)[N-]NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)n[nH]2)c1	ZINC000832923723	604710706	/nfs/dbraw/zinc/71/07/06/604710706.db2.gz	BQTKSKZSMOLOJE-ZIAGYGMSSA-N	-2	1	384.436	2.346	20	50		GEGDML
O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[N-]C(=O)c2cc(F)ccc2Br)C1	ZINC000833149459	600930613	/nfs/dbraw/zinc/93/06/13/600930613.db2.gz	QUXHODNNDRGTIZ-RKDXNWHRSA-N	-2	1	387.205	2.240	20	50		GEGDML
O=C([O-])[C@H]1CCC[C@@H](C(=O)N[N-]C(=O)c2cc(F)ccc2Br)C1	ZINC000833149456	600930617	/nfs/dbraw/zinc/93/06/17/600930617.db2.gz	QUXHODNNDRGTIZ-BDAKNGLRSA-N	-2	1	387.205	2.240	20	50		GEGDML
O=C([O-])NC1(CNC(=O)N[N-]C(=O)c2ccc(Cl)cc2F)CCCCC1	ZINC000832223328	603571352	/nfs/dbraw/zinc/57/13/52/603571352.db2.gz	KAWFERHOGOXYBW-UHFFFAOYSA-N	-2	1	386.811	2.394	20	50		GEGDML
CCc1ccc(-c2cc(C(=O)[N-]NC(=O)c3ccc(C(=O)[O-])s3)n[nH]2)cc1	ZINC000830229564	604280832	/nfs/dbraw/zinc/28/08/32/604280832.db2.gz	YNVCWIUKLJREHS-UHFFFAOYSA-N	-2	1	384.417	2.474	20	50		GEGDML