smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1onc(-c2ccncc2)c1C(=O)[N-]NC(=O)CNC(=O)[O-]	ZINC000833935771	605447504	/nfs/dbraw/zinc/44/75/04/605447504.db2.gz	IXNSOIOOGVLJSA-UHFFFAOYSA-N	-2	1	319.277	0.074	20	50		DCGDML
O=C([O-])Cc1cccc(NC(=O)N[N-]C(=O)c2cc[nH]n2)c1	ZINC001595131898	952036958	/nfs/dbraw/zinc/03/69/58/952036958.db2.gz	RWZBQHJDLBASGX-UHFFFAOYSA-N	-2	1	303.278	0.503	20	50		DCGDML
C[C@@H](CSCC(=O)N[N-]C(=O)c1cccs1)C(=O)[O-]	ZINC000086107846	957951982	/nfs/dbraw/zinc/95/19/82/957951982.db2.gz	VMNTZPPXUDSEPB-ZETCQYMHSA-N	-2	1	302.377	0.963	20	50		DCGDML
COc1ccccc1-c1cc(C(=O)[N-]NC(=O)CC(=O)[O-])n[nH]1	ZINC001599693160	991104682	/nfs/dbraw/zinc/10/46/82/991104682.db2.gz	NREMKINKIXTARZ-UHFFFAOYSA-N	-2	1	318.289	0.321	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)C[C@@H]2CCCN2C(=O)[O-])n1	ZINC000829102348	603965964	/nfs/dbraw/zinc/96/59/64/603965964.db2.gz	XHTDVXJHSBDASB-VIFPVBQESA-N	-2	1	309.326	0.769	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)N[C@H]2CCN(C(=O)[O-])C2)n1	ZINC000829102081	604036802	/nfs/dbraw/zinc/03/68/02/604036802.db2.gz	SPHPCPXISAWTMO-QMMMGPOBSA-N	-2	1	310.314	0.172	20	50		DCGDML
C[C@@]1(C(=O)[O-])CCCN1CC(=O)N[N-]C(=O)c1cccs1	ZINC000079490046	949005039	/nfs/dbraw/zinc/00/50/39/949005039.db2.gz	VOAFIBFFISXBEA-ZDUSSCGKSA-N	-2	1	311.363	0.448	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)C=Cc2ccc(C(=O)[O-])o2)n[nH]1	ZINC001594281000	957743182	/nfs/dbraw/zinc/74/31/82/957743182.db2.gz	GKKPVUOEYOBFQN-HWKANZROSA-N	-2	1	304.262	0.484	20	50		DCGDML
O=C([O-])c1ccc(NC(=O)N[N-]C(=O)c2ccnnc2)c(F)c1	ZINC001574578798	962093859	/nfs/dbraw/zinc/09/38/59/962093859.db2.gz	PKOFQWZJNQNHIV-UHFFFAOYSA-N	-2	1	319.252	0.780	20	50		DCGDML
O=C([O-])[C@H]1C[C@H]1C(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC000833149494	601272273	/nfs/dbraw/zinc/27/22/73/601272273.db2.gz	RSCBNOJBLMHSJL-SFYZADRCSA-N	-2	1	300.673	0.961	20	50		DCGDML
CCNC(=O)[N-][N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000829799087	601828919	/nfs/dbraw/zinc/82/89/19/601828919.db2.gz	CHWVEURVDQFCRQ-UHFFFAOYSA-N	-3	1	321.742	0.551	20	50		DCGDML
CCNC(=O)[N-][N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC000829800108	601838571	/nfs/dbraw/zinc/83/85/71/601838571.db2.gz	XUUWFIPHMSRUGZ-UHFFFAOYSA-N	-3	1	323.277	0.175	20	50		DCGDML
C[C@@H](NC(=O)[O-])C(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC000825186246	603513255	/nfs/dbraw/zinc/51/32/55/603513255.db2.gz	NIAAGJSESBZUKI-RXMQYKEDSA-N	-2	1	303.677	0.896	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)NCC[C@H](C)NC(=O)[O-])n1	ZINC000829101022	603528380	/nfs/dbraw/zinc/52/83/80/603528380.db2.gz	CGQCMIFWKSVMEC-ZETCQYMHSA-N	-2	1	312.330	0.466	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)N[C@@H](CNC(=O)[O-])C2CC2)n1	ZINC000829102353	604041824	/nfs/dbraw/zinc/04/18/24/604041824.db2.gz	XIKKKFTWVSVKOJ-VIFPVBQESA-N	-2	1	324.341	0.466	20	50		DCGDML
O=C([O-])NCCC(=O)N[N-]C(=O)c1c(O)cc(F)cc1F	ZINC000834227517	605840506	/nfs/dbraw/zinc/84/05/06/605840506.db2.gz	WJRRLHHIZWYDRI-UHFFFAOYSA-N	-2	1	303.221	0.089	20	50		DCGDML
O=C([O-])C1(C(=O)N[N-]C(=O)c2ccnnc2)CCCCCC1	ZINC001594783273	953655214	/nfs/dbraw/zinc/65/52/14/953655214.db2.gz	YDUFDRDDPQEQIK-UHFFFAOYSA-N	-2	1	306.322	0.663	20	50		DCGDML
COc1cc[n-]c(=NNC(=O)Nc2cccc(C(=O)[O-])n2)n1	ZINC001599722879	991569909	/nfs/dbraw/zinc/56/99/09/991569909.db2.gz	XEPBAGUTUGXGTP-UHFFFAOYSA-N	-2	1	304.266	0.727	20	50		DCGDML
COc1ccc(NC(=O)NNC(=O)[O-])cc1[N-]S(C)(=O)=O	ZINC000832403994	601312604	/nfs/dbraw/zinc/31/26/04/601312604.db2.gz	FTGBAURYPJSJFK-UHFFFAOYSA-N	-2	1	318.311	0.371	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)C[C@H]2CCCN2C(=O)[O-])n1	ZINC000829102345	603965863	/nfs/dbraw/zinc/96/58/63/603965863.db2.gz	XHTDVXJHSBDASB-SECBINFHSA-N	-2	1	309.326	0.769	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)c2ccc(OCC(=O)[O-])cc2)n[nH]1	ZINC000832864511	604281088	/nfs/dbraw/zinc/28/10/88/604281088.db2.gz	LCCOSRXOGXFZGS-UHFFFAOYSA-N	-2	1	318.289	0.256	20	50		DCGDML
O=C([O-])NCCNC(=O)N[N-]C(=O)c1cccc(Cl)c1F	ZINC000832657624	604357162	/nfs/dbraw/zinc/35/71/62/604357162.db2.gz	CFASMRWZNSQCJH-UHFFFAOYSA-N	-2	1	318.692	0.691	20	50		DCGDML
O=C([O-])NCC(=O)N[N-]C(=O)c1cc(-c2ccc(F)cc2)[nH]n1	ZINC000832396957	605413183	/nfs/dbraw/zinc/41/31/83/605413183.db2.gz	KOIDVGWQQZNBPE-UHFFFAOYSA-N	-2	1	321.268	0.244	20	50		DCGDML
O=C([O-])CSCC(=O)NNC(=O)c1cc(Cl)ccc1[O-]	ZINC000740485261	955260294	/nfs/dbraw/zinc/26/02/94/955260294.db2.gz	DHIBENGUCCIHNK-UHFFFAOYSA-N	-2	1	318.738	0.624	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)Nc2cccc(C(=O)[O-])c2)n[nH]1	ZINC001594281050	957743263	/nfs/dbraw/zinc/74/32/63/957743263.db2.gz	KIRNSVPJQJUAAK-UHFFFAOYSA-N	-2	1	303.278	0.883	20	50		DCGDML
C[C@H](C(=O)[O-])C(=O)N[N-]C(=O)c1cc(-c2ccc(F)cc2)[nH]n1	ZINC001588573669	959201482	/nfs/dbraw/zinc/20/14/82/959201482.db2.gz	IBLWDBMOJULVLS-ZETCQYMHSA-N	-2	1	320.280	0.698	20	50		DCGDML
COc1cc[n-]c(=NNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)n1	ZINC000738143259	978485949	/nfs/dbraw/zinc/48/59/49/978485949.db2.gz	OIVPPZBBSKCYDO-QMMMGPOBSA-N	-2	1	310.314	0.254	20	50		DCGDML
O=C([O-])[C@H]1C[C@@H]1C(=O)N[N-]C(=O)c1cc(-c2ccccc2)[nH]n1	ZINC000739454038	978638789	/nfs/dbraw/zinc/63/87/89/978638789.db2.gz	OBVPLLRYYLEZBT-UWVGGRQHSA-N	-2	1	314.301	0.558	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)n1	ZINC000829101689	603946280	/nfs/dbraw/zinc/94/62/80/603946280.db2.gz	KTWGGGLXHWRTKO-GFCCVEGCSA-N	-2	1	313.289	0.329	20	50		DCGDML
O=C([O-])NCCCC(=O)N[N-]C(=O)c1cccnc1Cl	ZINC000834230483	605974839	/nfs/dbraw/zinc/97/48/39/605974839.db2.gz	ZZNMPNADTRZHTO-UHFFFAOYSA-N	-2	1	300.702	0.544	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)c2cnc(C(=O)[O-])cn2)n1	ZINC001604700268	973896246	/nfs/dbraw/zinc/89/62/46/973896246.db2.gz	DPSUSNSGZCKGFV-UHFFFAOYSA-N	-2	1	304.266	0.039	20	50		DCGDML
Cc1oc(S(=O)(=O)[N-][N-]C(=O)NC(C)C)cc1C(=O)[O-]	ZINC000833026646	601232989	/nfs/dbraw/zinc/23/29/89/601232989.db2.gz	GUGKOJMQMXCJPT-UHFFFAOYSA-N	-3	1	305.312	0.187	20	50		DCGDML
CC(C)C(=O)[N-][N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC000826658367	601831360	/nfs/dbraw/zinc/83/13/60/601831360.db2.gz	OJPDOJVZVZARJA-UHFFFAOYSA-N	-3	1	321.742	0.399	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])n1	ZINC000829101519	603966710	/nfs/dbraw/zinc/96/67/10/603966710.db2.gz	IYUXQQYPOBGWIV-IUCAKERBSA-N	-2	1	309.326	0.673	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)C2(NC(=O)[O-])CCCC2)n1	ZINC000829102464	603967846	/nfs/dbraw/zinc/96/78/46/603967846.db2.gz	ZBJOJKHIJNDQFD-UHFFFAOYSA-N	-2	1	309.326	0.817	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)n[nH]1	ZINC000829956727	604929472	/nfs/dbraw/zinc/92/94/72/604929472.db2.gz	MORNQSNLIRMWME-BDAKNGLRSA-N	-2	1	309.326	0.306	20	50		DCGDML
O=C([O-])NCCCC(=O)N[N-]C(=O)c1cccc(F)c1F	ZINC000834229627	605978911	/nfs/dbraw/zinc/97/89/11/605978911.db2.gz	BQBSJMYOGLMRJO-UHFFFAOYSA-N	-2	1	301.249	0.774	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)Nc2cncc(C(=O)[O-])c2)n[nH]1	ZINC001594281168	957745424	/nfs/dbraw/zinc/74/54/24/957745424.db2.gz	VTAVBIPTWRNLQU-UHFFFAOYSA-N	-2	1	304.266	0.278	20	50		DCGDML
C[C@H](C(=O)[O-])N(CC(=O)N[N-]C(=O)c1cccs1)C1CC1	ZINC000383195649	968109490	/nfs/dbraw/zinc/10/94/90/968109490.db2.gz	VKBSEGJMKBYOJA-MRVPVSSYSA-N	-2	1	311.363	0.447	20	50		DCGDML
COc1cc[n-]c(=NNC(=O)Nc2cccc(CC(=O)[O-])n2)n1	ZINC001599722595	991565922	/nfs/dbraw/zinc/56/59/22/991565922.db2.gz	NIYCFYYNWAAVHS-UHFFFAOYSA-N	-2	1	318.293	0.656	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)c2ccc(C(=O)[O-])c(F)c2)n[nH]1	ZINC000832864512	604833946	/nfs/dbraw/zinc/83/39/46/604833946.db2.gz	LDEHCPWQQKVGKD-UHFFFAOYSA-N	-2	1	306.253	0.630	20	50		DCGDML
O=C([O-])NCC(=O)N[N-]C(=O)c1cc(C(F)(F)F)ccc1F	ZINC000834203682	605446396	/nfs/dbraw/zinc/44/63/96/605446396.db2.gz	VXKFOHQHYCIHAT-UHFFFAOYSA-N	-2	1	323.202	0.873	20	50		DCGDML
CO[C@@](C)(C(=O)[O-])C(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC001593926598	956134663	/nfs/dbraw/zinc/13/46/63/956134663.db2.gz	LBWVWJBIQSLPGH-GFCCVEGCSA-N	-2	1	318.688	0.730	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)c2cncc(C(=O)[O-])c2)n1	ZINC001599394247	997095102	/nfs/dbraw/zinc/09/51/02/997095102.db2.gz	HQLNRELUSGYZLN-UHFFFAOYSA-N	-2	1	303.278	0.644	20	50		DCGDML
O=C([O-])NCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1[O-]	ZINC000834203596	605455510	/nfs/dbraw/zinc/45/55/10/605455510.db2.gz	UNDXHEXBSSWHFE-UHFFFAOYSA-N	-2	1	321.211	0.440	20	50		DCGDML
O=C([O-])c1ccc(S(=O)(=O)N[N-]C(=O)c2ccccn2)cc1	ZINC000016099758	957098925	/nfs/dbraw/zinc/09/89/25/957098925.db2.gz	AHBSFZLJATXOPD-UHFFFAOYSA-N	-2	1	321.314	0.403	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)c2coc(C=CC(=O)[O-])c2)n[nH]1	ZINC001594281109	957744334	/nfs/dbraw/zinc/74/43/34/957744334.db2.gz	QKOZBDHERGUASN-IHWYPQMZSA-N	-2	1	304.262	0.484	20	50		DCGDML
COc1cc[n-]c(=NNC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)n1	ZINC001599722658	991565465	/nfs/dbraw/zinc/56/54/65/991565465.db2.gz	PDMXJFUKZUZOKS-BDAKNGLRSA-N	-2	1	309.326	0.755	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)Nc2nc(CC(=O)[O-])cs2)n[nH]1	ZINC000832864603	602235942	/nfs/dbraw/zinc/23/59/42/602235942.db2.gz	OWZQDJCXGIRTJF-UHFFFAOYSA-N	-2	1	324.322	0.268	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)NCC[C@@H](C)NC(=O)[O-])n1	ZINC000829101019	603528650	/nfs/dbraw/zinc/52/86/50/603528650.db2.gz	CGQCMIFWKSVMEC-SSDOTTSWSA-N	-2	1	312.330	0.466	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)c2cccc(NC(=O)[O-])c2)n[nH]1	ZINC000829962178	604927694	/nfs/dbraw/zinc/92/76/94/604927694.db2.gz	UZERBIJJSKVQAL-UHFFFAOYSA-N	-2	1	303.278	0.883	20	50		DCGDML
O=C([O-])NCC(=O)NN=Cc1ccc([O-])c(Br)c1	ZINC000834202565	605385464	/nfs/dbraw/zinc/38/54/64/605385464.db2.gz	YCBVSOCBTHACMQ-UHFFFAOYSA-N	-2	1	316.111	0.872	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)[C@@H]2CCCC[C@]2(C)NC(=O)[O-])n[nH]1	ZINC000833899280	606082902	/nfs/dbraw/zinc/08/29/02/606082902.db2.gz	ZHKSOPMLPBBNOL-XPTSAGLGSA-N	-2	1	323.353	0.696	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)NCCSCC(=O)[O-])n1	ZINC000831972776	601150201	/nfs/dbraw/zinc/15/02/01/601150201.db2.gz	QLGOYYXOMQOGGO-UHFFFAOYSA-N	-2	1	315.355	0.238	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)c2ccc(CNC(=O)[O-])o2)n1	ZINC000829102154	603966997	/nfs/dbraw/zinc/96/69/97/603966997.db2.gz	USFZSRNLOGKTFK-UHFFFAOYSA-N	-2	1	321.293	0.911	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)n[nH]1	ZINC000829956729	604929394	/nfs/dbraw/zinc/92/93/94/604929394.db2.gz	MORNQSNLIRMWME-IUCAKERBSA-N	-2	1	309.326	0.306	20	50		DCGDML
O=C([O-])N[C@H](Cc1ccccc1)C(=O)NN=c1ncc(F)c[n-]1	ZINC000834150106	605692699	/nfs/dbraw/zinc/69/26/99/605692699.db2.gz	LSBITUSQGREWCR-LLVKDONJSA-N	-2	1	319.296	0.938	20	50		DCGDML
CC(C)C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC000736346971	978322659	/nfs/dbraw/zinc/32/26/59/978322659.db2.gz	MGBAHOSQLBENFY-UHFFFAOYSA-N	-3	1	322.289	0.629	20	50		DCGDML
O=C([O-])Nc1ccc(C(=O)NNC(=O)N2CCOCC2)c([O-])c1	ZINC000834254671	605646422	/nfs/dbraw/zinc/64/64/22/605646422.db2.gz	BLMVDINHECJAFS-UHFFFAOYSA-N	-2	1	324.293	0.169	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)c2ccnc(C(=O)[O-])c2)n1	ZINC000831972260	601292799	/nfs/dbraw/zinc/29/27/99/601292799.db2.gz	HYKRMYGSCCFICD-UHFFFAOYSA-N	-2	1	303.278	0.644	20	50		DCGDML
O=C([O-])[C@@]1(F)CCN(CC(=O)N[N-]C(=O)c2cccs2)C1	ZINC000833105101	601554202	/nfs/dbraw/zinc/55/42/02/601554202.db2.gz	GYOLVDBXTVBKTB-GFCCVEGCSA-N	-2	1	315.326	0.008	20	50		DCGDML
CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000828700796	601835376	/nfs/dbraw/zinc/83/53/76/601835376.db2.gz	RUEZRANOUTWBAS-RXMQYKEDSA-N	-3	1	307.353	0.197	20	50		DCGDML
C[C@H](NC(=O)[O-])C(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC000825186247	603513306	/nfs/dbraw/zinc/51/33/06/603513306.db2.gz	NIAAGJSESBZUKI-YFKPBYRVSA-N	-2	1	303.677	0.896	20	50		DCGDML
O=C([O-])NCCCC(=O)N[N-]C(=O)c1cc(F)c(F)cc1F	ZINC000834232685	605975953	/nfs/dbraw/zinc/97/59/53/605975953.db2.gz	VEUCBEVTMCJIAJ-UHFFFAOYSA-N	-2	1	319.239	0.913	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)[C@@H]2CCCC[C@@]2(C)NC(=O)[O-])n[nH]1	ZINC000833899276	606083042	/nfs/dbraw/zinc/08/30/42/606083042.db2.gz	ZHKSOPMLPBBNOL-LKFCYVNXSA-N	-2	1	323.353	0.696	20	50		DCGDML
O=C([O-])CCNC(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC000819492885	955448882	/nfs/dbraw/zinc/44/88/82/955448882.db2.gz	ZTKGUAANTHGWHV-UHFFFAOYSA-N	-2	1	303.677	0.898	20	50		DCGDML
CC(C)(C)[C@H](C(=O)[O-])C(=O)NN=c1[n-]ncc(N)c1Cl	ZINC001261645867	969690151	/nfs/dbraw/zinc/69/01/51/969690151.db2.gz	QQHORGFKTUUTFD-LURJTMIESA-N	-2	1	301.734	0.902	20	50		DCGDML
CO[C@@H](C(=O)[O-])C(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC001604433697	973228733	/nfs/dbraw/zinc/22/87/33/973228733.db2.gz	GUCUYWDEGKTJSW-MRVPVSSYSA-N	-2	1	304.661	0.340	20	50		DCGDML
COc1c(NC(=O)N[N-]C(=O)c2cc[nH]n2)cccc1C(=O)[O-]	ZINC001599339392	997895963	/nfs/dbraw/zinc/89/59/63/997895963.db2.gz	PMFFAUYZOJSAJX-UHFFFAOYSA-N	-2	1	319.277	0.583	20	50		DCGDML
C[C@]1(C(=O)[O-])CCCN1CC(=O)N[N-]C(=O)c1cccs1	ZINC000079490041	949005733	/nfs/dbraw/zinc/00/57/33/949005733.db2.gz	VOAFIBFFISXBEA-CYBMUJFWSA-N	-2	1	311.363	0.448	20	50		DCGDML
O=C([O-])Cc1cccc(NC(=O)N[N-]C(=O)c2ccnnc2)c1	ZINC001595131944	952037682	/nfs/dbraw/zinc/03/76/82/952037682.db2.gz	VZCLMCGTVJQWGR-UHFFFAOYSA-N	-2	1	315.289	0.570	20	50		DCGDML
Cc1csc(C(=O)[N-]NC(=O)c2cc(C(=O)[O-])nn2C)c1	ZINC001594436007	959234283	/nfs/dbraw/zinc/23/42/83/959234283.db2.gz	QNPDNYCMZOGEAP-UHFFFAOYSA-N	-2	1	308.319	0.563	20	50		DCGDML
CCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000736998384	978371424	/nfs/dbraw/zinc/37/14/24/978371424.db2.gz	IZAODYXZXCYMBR-UHFFFAOYSA-N	-3	1	305.312	0.270	20	50		DCGDML
O=C([O-])[C@H]1C[C@@H]1C(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC000833149495	601272249	/nfs/dbraw/zinc/27/22/49/601272249.db2.gz	RSCBNOJBLMHSJL-YUMQZZPRSA-N	-2	1	300.673	0.961	20	50		DCGDML
O=C([O-])c1nscc1S(=O)(=O)[N-][N-]C(=O)C1CCCC1	ZINC000833345191	601835030	/nfs/dbraw/zinc/83/50/30/601835030.db2.gz	NBQSNFLRAFTHAU-UHFFFAOYSA-N	-3	1	319.364	0.341	20	50		DCGDML
C[C@@H](CC(=O)[O-])C(=O)N[N-]C(=O)c1cc(-c2ccccc2)[nH]n1	ZINC000827304361	602265940	/nfs/dbraw/zinc/26/59/40/602265940.db2.gz	SFTXEUPGNKMDCC-VIFPVBQESA-N	-2	1	316.317	0.949	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)NCCCN(C)C(=O)[O-])n1	ZINC000829101939	604026903	/nfs/dbraw/zinc/02/69/03/604026903.db2.gz	OMZQKWDBHXISRR-UHFFFAOYSA-N	-2	1	312.330	0.420	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)NCC(C)(C)NC(=O)[O-])n1	ZINC000829102262	604045697	/nfs/dbraw/zinc/04/56/97/604045697.db2.gz	VXPAEFFAPCNLNE-UHFFFAOYSA-N	-2	1	312.330	0.466	20	50		DCGDML
CCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000745978160	978679937	/nfs/dbraw/zinc/67/99/37/978679937.db2.gz	OCGJHABYIQIYBF-UHFFFAOYSA-N	-3	1	305.287	0.036	20	50		DCGDML
COc1cc(C(=O)[O-])ccc1NNC(=O)c1n[nH]c(C)c1[O-]	ZINC001599377163	998505843	/nfs/dbraw/zinc/50/58/43/998505843.db2.gz	MRAPNFCWNGYEFI-UHFFFAOYSA-N	-2	1	306.278	0.887	20	50		DCGDML
CCc1[nH]c(C(=O)N[N-]C(=O)c2cc(C)[nH]n2)c(C)c1C(=O)[O-]	ZINC000830196112	604709289	/nfs/dbraw/zinc/70/92/89/604709289.db2.gz	HBLFNWNTNJYRHA-UHFFFAOYSA-N	-2	1	319.321	0.690	20	50		DCGDML
CO[C@@H](C(=O)[O-])C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl	ZINC001593911455	955968303	/nfs/dbraw/zinc/96/83/03/955968303.db2.gz	LXOGYQNJBQMGLF-MRVPVSSYSA-N	-2	1	321.116	0.854	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)Cc2ccc(C(=O)[O-])nc2)n1	ZINC001599394251	997095208	/nfs/dbraw/zinc/09/52/08/997095208.db2.gz	HXRJMQJEZUJINM-UHFFFAOYSA-N	-2	1	317.305	0.573	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@H]2CSCN2C(=O)[O-])n1	ZINC000829102331	603967982	/nfs/dbraw/zinc/96/79/82/603967982.db2.gz	WYGIAEMVYLVFSC-SSDOTTSWSA-N	-2	1	313.339	0.290	20	50		DCGDML
O=C([O-])NCCCC(=O)NNC(=O)c1c([O-])cccc1Cl	ZINC000834232853	605995458	/nfs/dbraw/zinc/99/54/58/605995458.db2.gz	ZRMZHZVPRORFKE-UHFFFAOYSA-N	-2	1	315.713	0.854	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)C2(C(=O)[O-])CCSCC2)n[nH]1	ZINC001605120398	972778910	/nfs/dbraw/zinc/77/89/10/972778910.db2.gz	AURIFQQJCFLTBH-UHFFFAOYSA-N	-2	1	312.351	0.077	20	50		DCGDML
CO[C@H](C(=O)[O-])C(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC001604433698	973228442	/nfs/dbraw/zinc/22/84/42/973228442.db2.gz	GUCUYWDEGKTJSW-QMMMGPOBSA-N	-2	1	304.661	0.340	20	50		DCGDML
O=C([O-])NCC(=O)N[N-]C(=O)c1ccc(F)c(Cl)c1F	ZINC000834203688	605471419	/nfs/dbraw/zinc/47/14/19/605471419.db2.gz	WAMPRCJUTBPRHF-UHFFFAOYSA-N	-2	1	307.640	0.647	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)[C@]2(C)CCCCN2C(=O)[O-])n[nH]1	ZINC000833898156	605873136	/nfs/dbraw/zinc/87/31/36/605873136.db2.gz	JNHTUFPDXQGSSO-ZDUSSCGKSA-N	-2	1	309.326	0.402	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)n1	ZINC000829101974	604038729	/nfs/dbraw/zinc/03/87/29/604038729.db2.gz	POOGXXYZOCQTHG-SECBINFHSA-N	-2	1	324.341	0.562	20	50		DCGDML
COc1cc[n-]c(=NNC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])n1	ZINC000829650582	604183944	/nfs/dbraw/zinc/18/39/44/604183944.db2.gz	SNLLQZFWRJOXFI-IUCAKERBSA-N	-2	1	324.341	0.548	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)c2cccc(OCC(=O)[O-])c2)n[nH]1	ZINC000832864462	604281192	/nfs/dbraw/zinc/28/11/92/604281192.db2.gz	HEBLTWHKTRBCGL-UHFFFAOYSA-N	-2	1	318.289	0.256	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)n[nH]1	ZINC000832864906	604710099	/nfs/dbraw/zinc/71/00/99/604710099.db2.gz	WZGRRXIENFSVIM-UHFFFAOYSA-N	-2	1	305.294	0.436	20	50		DCGDML
O=C([O-])[C@@H]1C[C@H]1C(=O)N[N-]C(=O)c1cc(-c2ccccc2)[nH]n1	ZINC000739454037	978638903	/nfs/dbraw/zinc/63/89/03/978638903.db2.gz	OBVPLLRYYLEZBT-NXEZZACHSA-N	-2	1	314.301	0.558	20	50		DCGDML
CCNC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000768504997	978739096	/nfs/dbraw/zinc/73/90/96/978739096.db2.gz	GYXHZDALQUMVBL-UHFFFAOYSA-N	-3	1	305.287	0.036	20	50		DCGDML
CC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001589149837	985467686	/nfs/dbraw/zinc/46/76/86/985467686.db2.gz	FTGRUHNDGBDJFD-UHFFFAOYSA-N	-3	1	310.690	0.507	20	50		DCGDML
C[C@H](NC(=S)N[N-]C(=O)c1cc(C(=O)[O-])ccn1)C1CC1	ZINC001593189190	994110114	/nfs/dbraw/zinc/11/01/14/994110114.db2.gz	DQENXXIJMRUXMZ-ZETCQYMHSA-N	-2	1	308.363	0.687	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)N[C@@H]2CCN(C(=O)[O-])C2)n1	ZINC000829102080	604036453	/nfs/dbraw/zinc/03/64/53/604036453.db2.gz	SPHPCPXISAWTMO-MRVPVSSYSA-N	-2	1	310.314	0.172	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)CC2CCN(C(=O)[O-])CC2)n[nH]1	ZINC000829956418	605411876	/nfs/dbraw/zinc/41/18/76/605411876.db2.gz	FXYSPJIWBZGJGK-UHFFFAOYSA-N	-2	1	309.326	0.259	20	50		DCGDML
O=C([O-])NCC(=O)N[N-]C(=O)c1cccc(C(F)(F)F)c1F	ZINC000834203000	605466850	/nfs/dbraw/zinc/46/68/50/605466850.db2.gz	JBVPAUMVCKCJHI-UHFFFAOYSA-N	-2	1	323.202	0.873	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)[C@]2(C)CCCN(C(=O)[O-])C2)n[nH]1	ZINC000833898614	605776276	/nfs/dbraw/zinc/77/62/76/605776276.db2.gz	PWYRKNQPDUYIIB-CYBMUJFWSA-N	-2	1	309.326	0.259	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)n1	ZINC001604700585	973899616	/nfs/dbraw/zinc/89/96/16/973899616.db2.gz	MNLVDUWDHMDWAI-VHSXEESVSA-N	-2	1	324.337	0.507	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)c2ccc(C(=O)[O-])cn2)n1	ZINC000831972037	601108173	/nfs/dbraw/zinc/10/81/73/601108173.db2.gz	CLRULSKRZCVBON-UHFFFAOYSA-N	-2	1	303.278	0.644	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)n1	ZINC000829101337	603966254	/nfs/dbraw/zinc/96/62/54/603966254.db2.gz	HMCUDSNWVSIHIC-DTWKUNHWSA-N	-2	1	309.326	0.673	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])n1	ZINC000829101518	603966880	/nfs/dbraw/zinc/96/68/80/603966880.db2.gz	IYUXQQYPOBGWIV-DTWKUNHWSA-N	-2	1	309.326	0.673	20	50		DCGDML
CCNC(=O)[N-][N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC000833656269	604745527	/nfs/dbraw/zinc/74/55/27/604745527.db2.gz	AULFDXZBEDZZGL-UHFFFAOYSA-N	-3	1	305.287	0.036	20	50		DCGDML
O=C([O-])CCC(=O)N[N-]C(=O)c1cc(-c2cccs2)[nH]n1	ZINC001594996823	951088068	/nfs/dbraw/zinc/08/80/68/951088068.db2.gz	LRIRGNVOGAEQPN-UHFFFAOYSA-N	-2	1	308.319	0.764	20	50		DCGDML
CCC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001594712634	987178860	/nfs/dbraw/zinc/17/88/60/987178860.db2.gz	VWYQOQNEJXQRFS-UHFFFAOYSA-N	-3	1	324.717	0.897	20	50		DCGDML
COC(=O)N[N-]S(=O)(=O)C[C@@H](C(=O)[O-])c1ccccc1	ZINC001598884180	996860895	/nfs/dbraw/zinc/86/08/95/996860895.db2.gz	MQFZAIAAPRILCN-SECBINFHSA-N	-2	1	302.308	0.045	20	50		DCGDML
COc1cc[n-]c(=NNC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])n1	ZINC000829650580	604183985	/nfs/dbraw/zinc/18/39/85/604183985.db2.gz	SNLLQZFWRJOXFI-BDAKNGLRSA-N	-2	1	324.341	0.548	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)[C@@]2(C)CCCN(C(=O)[O-])C2)n[nH]1	ZINC000833898615	605776005	/nfs/dbraw/zinc/77/60/05/605776005.db2.gz	PWYRKNQPDUYIIB-ZDUSSCGKSA-N	-2	1	309.326	0.259	20	50		DCGDML
CC(C)(C(=O)[O-])C(=O)NNC(=O)c1cc(Cl)ccc1[O-]	ZINC001588618579	959533436	/nfs/dbraw/zinc/53/34/36/959533436.db2.gz	UXSJUXOQBZKXHG-UHFFFAOYSA-N	-2	1	300.698	0.917	20	50		DCGDML
CSCCNC(=S)N[N-]C(=O)c1cc(C(=O)[O-])ccn1	ZINC001599801137	988178893	/nfs/dbraw/zinc/17/88/93/988178893.db2.gz	PFRDIGVZLGFBQP-UHFFFAOYSA-N	-2	1	314.392	0.252	20	50		DCGDML
COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)CC(C)(C)CCl	ZINC001598694533	995115349	/nfs/dbraw/zinc/11/53/49/995115349.db2.gz	JZGQUHSECWHOCD-SSDOTTSWSA-N	-2	1	315.775	0.187	20	50		DCGDML
COC(=O)N[N-]S(=O)(=O)C[C@H](C(=O)[O-])c1ccccc1	ZINC001598884181	996861397	/nfs/dbraw/zinc/86/13/97/996861397.db2.gz	MQFZAIAAPRILCN-VIFPVBQESA-N	-2	1	302.308	0.045	20	50		DCGDML
CN(C)C(=O)[N-][N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000830564060	601829123	/nfs/dbraw/zinc/82/91/23/601829123.db2.gz	UMUFNMPXWISORC-UHFFFAOYSA-N	-3	1	321.742	0.503	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)n1	ZINC000829101693	603946300	/nfs/dbraw/zinc/94/63/00/603946300.db2.gz	KTWGGGLXHWRTKO-LBPRGKRZSA-N	-2	1	313.289	0.329	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)[C@@H](NC(=O)[O-])c2ccccc2)n[nH]1	ZINC000833898735	605776400	/nfs/dbraw/zinc/77/64/00/605776400.db2.gz	RCEKCSOCWOWQBQ-NSHDSACASA-N	-2	1	317.305	0.488	20	50		DCGDML
O=C([O-])N1CCC2(C[C@H]2C(=O)N[N-]C(=O)c2ccnnc2)CC1	ZINC000834045871	606097792	/nfs/dbraw/zinc/09/77/92/606097792.db2.gz	UIJXNQVVQDSLQH-JTQLQIEISA-N	-2	1	319.321	0.018	20	50		DCGDML
O=C([O-])c1cccnc1NNC(=O)C(=O)c1ccc([O-])cc1	ZINC001594782294	953644149	/nfs/dbraw/zinc/64/41/49/953644149.db2.gz	WILZURIYRNIPLD-UHFFFAOYSA-N	-2	1	301.258	0.811	20	50		DCGDML
CC(C)(C)[C@@H](C(=O)[O-])C(=O)NN=c1[n-]ncc(N)c1Cl	ZINC001261645868	969689864	/nfs/dbraw/zinc/68/98/64/969689864.db2.gz	QQHORGFKTUUTFD-ZCFIWIBFSA-N	-2	1	301.734	0.902	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)n1	ZINC001604700581	973899049	/nfs/dbraw/zinc/89/90/49/973899049.db2.gz	MNLVDUWDHMDWAI-NXEZZACHSA-N	-2	1	324.337	0.507	20	50		DCGDML
O=C([O-])[C@H]1C[C@H]1C(=O)N[N-]C(=O)c1cc(-c2cccs2)[nH]n1	ZINC000833149390	604281851	/nfs/dbraw/zinc/28/18/51/604281851.db2.gz	PBAJVXGCXXYQOJ-RQJHMYQMSA-N	-2	1	320.330	0.620	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)NCCC(C)(C)C(=O)[O-])n1	ZINC000818623431	955407042	/nfs/dbraw/zinc/40/70/42/955407042.db2.gz	KKAKYBCMSZBUMN-UHFFFAOYSA-N	-2	1	311.342	0.921	20	50		DCGDML
CCNC(=O)[N-][N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000749141551	978688345	/nfs/dbraw/zinc/68/83/45/978688345.db2.gz	INTAOPOVZHGCIE-UHFFFAOYSA-N	-3	1	305.287	0.036	20	50		DCGDML
CC[C@H](NC(=O)[O-])C(=O)NNC(=O)c1cc(Cl)ccc1[O-]	ZINC000827524994	605154094	/nfs/dbraw/zinc/15/40/94/605154094.db2.gz	VFFRXMSOMIFQKH-QMMMGPOBSA-N	-2	1	315.713	0.853	20	50		DCGDML
O=C([O-])NCCCC(=O)N[N-]C(=O)c1cc(-c2ccoc2)[nH]n1	ZINC000834232641	605977104	/nfs/dbraw/zinc/97/71/04/605977104.db2.gz	UMWSMNOXGDWTJI-UHFFFAOYSA-N	-2	1	321.293	0.479	20	50		DCGDML
C[C@@H]1CC[C@H](C(=O)[O-])N1CC(=O)N[N-]C(=O)c1cccs1	ZINC000844836903	955680964	/nfs/dbraw/zinc/68/09/64/955680964.db2.gz	RROWDLHPMFXGSA-RKDXNWHRSA-N	-2	1	311.363	0.447	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)C=Cc2ccc(C(=O)[O-])o2)n[nH]1	ZINC001594281001	957742824	/nfs/dbraw/zinc/74/28/24/957742824.db2.gz	GKKPVUOEYOBFQN-HYXAFXHYSA-N	-2	1	304.262	0.484	20	50		DCGDML
COc1cc[n-]c(=NNC(=O)Nc2cccnc2C(=O)[O-])n1	ZINC001594150501	958789857	/nfs/dbraw/zinc/78/98/57/958789857.db2.gz	IBKNABZEZQNXLX-UHFFFAOYSA-N	-2	1	304.266	0.727	20	50		DCGDML
CCC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC000736848756	978362032	/nfs/dbraw/zinc/36/20/32/978362032.db2.gz	XSTCZVNHTQEIED-UHFFFAOYSA-N	-3	1	308.262	0.383	20	50		DCGDML
CCC(=O)[N-][N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC000828570502	601831169	/nfs/dbraw/zinc/83/11/69/601831169.db2.gz	IMGJGXMPHSRDBT-UHFFFAOYSA-N	-3	1	307.715	0.153	20	50		DCGDML
O=C([O-])c1cnc(C(=O)N[N-]C(=O)c2cccc(Cl)n2)cn1	ZINC001602509154	971217432	/nfs/dbraw/zinc/21/74/32/971217432.db2.gz	QPWYISOEICVLQG-UHFFFAOYSA-N	-2	1	321.680	0.298	20	50		DCGDML
CN(C)C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC000737350119	978399184	/nfs/dbraw/zinc/39/91/84/978399184.db2.gz	SUXKBIUVTTTXQS-UHFFFAOYSA-N	-3	1	323.277	0.128	20	50		DCGDML
CC[C@@H](C(=O)[O-])C(=O)OCC(=O)N[N-]C(=O)c1cccs1	ZINC001594763962	981703336	/nfs/dbraw/zinc/70/33/36/981703336.db2.gz	BCNNXXOZVSLYEU-ZETCQYMHSA-N	-2	1	314.319	0.163	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)CCc2ocnc2C(=O)[O-])n1	ZINC001599394629	997102461	/nfs/dbraw/zinc/10/24/61/997102461.db2.gz	QTPPWKJRUYPVRU-UHFFFAOYSA-N	-2	1	321.293	0.556	20	50		DCGDML
O=C([O-])[C@@H]1C[C@H]1C(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC000833149492	601272120	/nfs/dbraw/zinc/27/21/20/601272120.db2.gz	RSCBNOJBLMHSJL-HTQZYQBOSA-N	-2	1	300.673	0.961	20	50		DCGDML
C[C@@H](CC(=O)[O-])C(=O)NNC(=O)c1cc(Cl)ccc1[O-]	ZINC000827303760	602295740	/nfs/dbraw/zinc/29/57/40/602295740.db2.gz	JALUEPLAIYWDDX-LURJTMIESA-N	-2	1	300.698	0.917	20	50		DCGDML
COc1cc[n-]c(=NNC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])n1	ZINC000829650583	604184122	/nfs/dbraw/zinc/18/41/22/604184122.db2.gz	SNLLQZFWRJOXFI-RKDXNWHRSA-N	-2	1	324.341	0.548	20	50		DCGDML
CO[C@](C)(C(=O)[O-])C(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC001593926599	956135237	/nfs/dbraw/zinc/13/52/37/956135237.db2.gz	LBWVWJBIQSLPGH-LBPRGKRZSA-N	-2	1	318.688	0.730	20	50		DCGDML
CCNC(=O)[N-][N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1	ZINC000737124074	978380441	/nfs/dbraw/zinc/38/04/41/978380441.db2.gz	UTHIZLZWXSMMSY-UHFFFAOYSA-N	-3	1	321.742	0.551	20	50		DCGDML
Cc1cccc(C(=O)[N-]NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1	ZINC000794600399	978814220	/nfs/dbraw/zinc/81/42/20/978814220.db2.gz	CRQYDPBJTOAOEZ-UHFFFAOYSA-N	-2	1	324.318	0.040	20	50		DCGDML
COc1cc[n-]c(=NNC(=O)NC[C@@H](CC(=O)[O-])C2CC2)n1	ZINC001599722193	991558514	/nfs/dbraw/zinc/55/85/14/991558514.db2.gz	BTUKKUPXQLYGKJ-SECBINFHSA-N	-2	1	309.326	0.612	20	50		DCGDML
Cc1oc(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)cc1C(=O)[O-]	ZINC000833027399	601232919	/nfs/dbraw/zinc/23/29/19/601232919.db2.gz	SFDBWCGODKWQNT-UHFFFAOYSA-N	-3	1	317.323	0.189	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)NC[C@H]2CCCN2C(=O)[O-])n1	ZINC000829101755	604036688	/nfs/dbraw/zinc/03/66/88/604036688.db2.gz	LPTMMPRVSYEPTM-SECBINFHSA-N	-2	1	324.341	0.562	20	50		DCGDML
Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NN=c1[nH]cccc1C(=O)[O-]	ZINC001594247206	959587235	/nfs/dbraw/zinc/58/72/35/959587235.db2.gz	AVEAOUPEFNUNLA-UHFFFAOYSA-N	-2	1	321.318	0.629	20	50		DCGDML
C[C@H](CC(=O)[O-])C(=O)OCC(=O)N[N-]C(=O)c1cccs1	ZINC000827333404	602273448	/nfs/dbraw/zinc/27/34/48/602273448.db2.gz	MEYSBMNWVIETEY-SSDOTTSWSA-N	-2	1	314.319	0.163	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)C2CCC(NC(=O)[O-])CC2)n[nH]1	ZINC000829956687	605411984	/nfs/dbraw/zinc/41/19/84/605411984.db2.gz	LFUQESNLBSIXDP-UHFFFAOYSA-N	-2	1	309.326	0.306	20	50		DCGDML
O=C([O-])N1CC(C(=O)N[N-]C(=O)c2ccc(Cl)cc2F)C1	ZINC000834045536	605561790	/nfs/dbraw/zinc/56/17/90/605561790.db2.gz	QOPHRAXEZRCSPE-UHFFFAOYSA-N	-2	1	315.688	0.850	20	50		DCGDML
CCCN(CCNC(=O)NN=c1nc(OC)cc[n-]1)C(=O)[O-]	ZINC000833855211	606015872	/nfs/dbraw/zinc/01/58/72/606015872.db2.gz	PFCNMPYCDUWECO-UHFFFAOYSA-N	-2	1	312.330	0.501	20	50		DCGDML
O=C([O-])N1CCC2(C[C@@H]2C(=O)N[N-]C(=O)c2ccnnc2)CC1	ZINC000834045872	606097588	/nfs/dbraw/zinc/09/75/88/606097588.db2.gz	UIJXNQVVQDSLQH-SNVBAGLBSA-N	-2	1	319.321	0.018	20	50		DCGDML
O=C([O-])c1cncc(NC(=O)N[N-]C(=O)c2ccnnc2)c1	ZINC001594779655	953617656	/nfs/dbraw/zinc/61/76/56/953617656.db2.gz	ATHHLHDHASCGLE-UHFFFAOYSA-N	-2	1	302.250	0.036	20	50		DCGDML
Cc1ncsc1C(=O)[N-]NC(=O)c1cccc(C(=O)[O-])n1	ZINC000738892281	978607659	/nfs/dbraw/zinc/60/76/59/978607659.db2.gz	HKBBIPFDAKCLOB-UHFFFAOYSA-N	-2	1	306.303	0.620	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@@H](CC(C)C)NC(=O)[O-])n1	ZINC000829101033	603967217	/nfs/dbraw/zinc/96/72/17/603967217.db2.gz	CPQAHRUKWIXQCJ-SECBINFHSA-N	-2	1	311.342	0.919	20	50		DCGDML
Cc1cc(Cl)ccc1S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-]	ZINC000833744993	605600461	/nfs/dbraw/zinc/60/04/61/605600461.db2.gz	XBJNGWDVHXSSIZ-UHFFFAOYSA-N	-3	1	321.742	0.226	20	50		DCGDML
O=C([O-])N(CC(=O)NN=c1ncc(F)c[n-]1)C[C@@H]1CCCO1	ZINC000834005775	605612897	/nfs/dbraw/zinc/61/28/97/605612897.db2.gz	GSWSGVAVAHKLDZ-VIFPVBQESA-N	-2	1	313.289	0.218	20	50		DCGDML
O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NN=c1ncc(F)c[n-]1	ZINC000834150107	605692359	/nfs/dbraw/zinc/69/23/59/605692359.db2.gz	LSBITUSQGREWCR-NSHDSACASA-N	-2	1	319.296	0.938	20	50		DCGDML
O=C([O-])NCCC(=O)NNC(=O)c1cc2ccccc2cc1[O-]	ZINC000739937961	978659074	/nfs/dbraw/zinc/65/90/74/978659074.db2.gz	JSYFFYZTMIPSLP-UHFFFAOYSA-N	-2	1	317.301	0.964	20	50		DCGDML
CN(C)C(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000743255984	978677658	/nfs/dbraw/zinc/67/76/58/978677658.db2.gz	KZYHQIOQEQCMIQ-UHFFFAOYSA-N	-3	1	321.742	0.503	20	50		DCGDML
CC(C)(C)C(=O)[N-][N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000826135120	601835593	/nfs/dbraw/zinc/83/55/93/601835593.db2.gz	YUFKSKSWEAIERN-UHFFFAOYSA-N	-3	1	307.353	0.197	20	50		DCGDML
Cc1ncsc1C(=O)[N-]NC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000830835089	602864423	/nfs/dbraw/zinc/86/44/23/602864423.db2.gz	WNFYODSAMUGLKK-UHFFFAOYSA-N	-2	1	324.318	0.887	20	50		DCGDML
C[C@@H](CC(=O)[O-])C(=O)OCC(=O)N[N-]C(=O)c1cccs1	ZINC000827333405	602273467	/nfs/dbraw/zinc/27/34/67/602273467.db2.gz	MEYSBMNWVIETEY-ZETCQYMHSA-N	-2	1	314.319	0.163	20	50		DCGDML
CN(CC(=O)N[N-]C(=O)c1ccc(Cl)cc1F)C(=O)[O-]	ZINC000828114399	603475615	/nfs/dbraw/zinc/47/56/15/603475615.db2.gz	HCNDZVGSBJNWIF-UHFFFAOYSA-N	-2	1	303.677	0.850	20	50		DCGDML
O=C([O-])N1CCSC[C@H]1CC(=O)NN=c1ncc(F)c[n-]1	ZINC000833988450	605609830	/nfs/dbraw/zinc/60/98/30/605609830.db2.gz	OTYCJVOJROINHY-MRVPVSSYSA-N	-2	1	315.330	0.544	20	50		DCGDML
COc1cc[n-]c(=NNC(=O)NC[C@@H](C(=O)[O-])C2CCC2)n1	ZINC001594151193	958799287	/nfs/dbraw/zinc/79/92/87/958799287.db2.gz	XQIPAXDUIDJFCE-SECBINFHSA-N	-2	1	309.326	0.612	20	50		DCGDML
CN(C)C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC001598140504	990603108	/nfs/dbraw/zinc/60/31/08/990603108.db2.gz	VIYASMVNJULZAK-UHFFFAOYSA-N	-3	1	321.742	0.503	20	50		DCGDML
COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)CC(C)(C)CCl	ZINC001598694535	995115541	/nfs/dbraw/zinc/11/55/41/995115541.db2.gz	JZGQUHSECWHOCD-ZETCQYMHSA-N	-2	1	315.775	0.187	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)n[nH]1	ZINC000829956730	604929702	/nfs/dbraw/zinc/92/97/02/604929702.db2.gz	MORNQSNLIRMWME-RKDXNWHRSA-N	-2	1	309.326	0.306	20	50		DCGDML
COc1cc[n-]c(=NNC(=O)Nc2cncc(C(=O)[O-])c2)n1	ZINC001594150511	958790342	/nfs/dbraw/zinc/79/03/42/958790342.db2.gz	IQVACTGDZAKKRP-UHFFFAOYSA-N	-2	1	304.266	0.727	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)NC[C@H](C(=O)[O-])C(C)C)n1	ZINC000848589404	969266364	/nfs/dbraw/zinc/26/63/64/969266364.db2.gz	FEMUTDCXGDIPLO-VIFPVBQESA-N	-2	1	311.342	0.777	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)CCSCC(=O)[O-])n1	ZINC000831972750	601108312	/nfs/dbraw/zinc/10/83/12/601108312.db2.gz	QDSBXEGYYYIEGZ-UHFFFAOYSA-N	-2	1	300.340	0.445	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)CN(CC2CC2)C(=O)[O-])n1	ZINC000829101309	603965769	/nfs/dbraw/zinc/96/57/69/603965769.db2.gz	GXPZELZOCLTWEA-UHFFFAOYSA-N	-2	1	309.326	0.627	20	50		DCGDML
O=C([O-])NCCCC(=O)N[N-]C(=O)c1ccncc1Cl	ZINC000834229832	605973390	/nfs/dbraw/zinc/97/33/90/605973390.db2.gz	JDFNHWLLWDOHMR-UHFFFAOYSA-N	-2	1	300.702	0.544	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)n1	ZINC001604700586	973899382	/nfs/dbraw/zinc/89/93/82/973899382.db2.gz	MNLVDUWDHMDWAI-ZJUUUORDSA-N	-2	1	324.337	0.507	20	50		DCGDML
O=C([O-])[C@@H]1C[C@@H]1C(=O)N[N-]C(=O)c1cc(-c2ccccc2)[nH]n1	ZINC000739454039	978639029	/nfs/dbraw/zinc/63/90/29/978639029.db2.gz	OBVPLLRYYLEZBT-VHSXEESVSA-N	-2	1	314.301	0.558	20	50		DCGDML
O=C([O-])NCC(=O)NNC(=O)c1ccc2ccccc2c1[O-]	ZINC000834202781	605460730	/nfs/dbraw/zinc/46/07/30/605460730.db2.gz	BAHATXKWFCFURT-UHFFFAOYSA-N	-2	1	303.274	0.574	20	50		DCGDML
O=C(NN=c1[n-]cnc2[nH]cnc21)c1cccc(-c2nnn[n-]2)c1	ZINC000738137880	945247173	/nfs/dbraw/zinc/24/71/73/945247173.db2.gz	UERYMLJVMSGAAA-UHFFFAOYSA-N	-2	1	322.292	0.290	20	50		DCGDML
C[C@@H](NC(=O)[O-])C(=O)N[N-]C(=O)c1cc(-c2cccs2)[nH]n1	ZINC000825186132	605409118	/nfs/dbraw/zinc/40/91/18/605409118.db2.gz	LTFGNUACROJXPF-ZCFIWIBFSA-N	-2	1	323.334	0.555	20	50		DCGDML
O=C([O-])c1ccc(/C=C\C(=O)N[N-]C(=O)c2ccnnc2)o1	ZINC001601236919	970962736	/nfs/dbraw/zinc/96/27/36/970962736.db2.gz	ZTOMTLFAGJMDLF-RQOWECAXSA-N	-2	1	302.246	0.242	20	50		DCGDML
C[C@H](CC(=O)NNC(=O)c1cc(Cl)ccc1[O-])NC(=O)[O-]	ZINC000824671273	603437613	/nfs/dbraw/zinc/43/76/13/603437613.db2.gz	FJXFWJLMUFXKER-ZCFIWIBFSA-N	-2	1	315.713	0.853	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)n1	ZINC000829101340	603965916	/nfs/dbraw/zinc/96/59/16/603965916.db2.gz	HMCUDSNWVSIHIC-IUCAKERBSA-N	-2	1	309.326	0.673	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)c2cc(C(=O)[O-])ccn2)n1	ZINC001599394429	997099655	/nfs/dbraw/zinc/09/96/55/997099655.db2.gz	JEPBLFAADXWGNR-UHFFFAOYSA-N	-2	1	303.278	0.644	20	50		DCGDML
CC(C)CC(=O)[N-][N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000826754075	601831378	/nfs/dbraw/zinc/83/13/78/601831378.db2.gz	IOMYXJGWMYJWOU-UHFFFAOYSA-N	-3	1	307.353	0.197	20	50		DCGDML
O=C([O-])Nc1ccc(C(=O)NNC(=O)NCC2CC2)c([O-])c1	ZINC000834257795	605645880	/nfs/dbraw/zinc/64/58/80/605645880.db2.gz	ONHRULNJFNTWKW-UHFFFAOYSA-N	-2	1	308.294	0.836	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)[C@@]2(C)CCCCN2C(=O)[O-])n[nH]1	ZINC000833898153	605872939	/nfs/dbraw/zinc/87/29/39/605872939.db2.gz	JNHTUFPDXQGSSO-CYBMUJFWSA-N	-2	1	309.326	0.402	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)CCC2CCN(C(=O)[O-])CC2)n[nH]1	ZINC000833898205	606048324	/nfs/dbraw/zinc/04/83/24/606048324.db2.gz	LJDIGCBLNHALFF-UHFFFAOYSA-N	-2	1	323.353	0.649	20	50		DCGDML
C[C@@H](C(=O)[O-])N(CC(=O)N[N-]C(=O)c1cccs1)C1CC1	ZINC000383195665	968109345	/nfs/dbraw/zinc/10/93/45/968109345.db2.gz	VKBSEGJMKBYOJA-QMMMGPOBSA-N	-2	1	311.363	0.447	20	50		DCGDML
CNC(=O)[N-][N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1	ZINC000737542878	978415619	/nfs/dbraw/zinc/41/56/19/978415619.db2.gz	KMUCGJOIUUFOAX-UHFFFAOYSA-N	-3	1	307.715	0.161	20	50		DCGDML
NC(=O)c1ccc(=NNC(=O)c2ccc(C(=O)[O-])s2)[n-]n1	ZINC000833086856	601817850	/nfs/dbraw/zinc/81/78/50/601817850.db2.gz	VPWMLKPFXICXGE-UHFFFAOYSA-N	-2	1	307.291	0.092	20	50		DCGDML
CCN(CCNC(=O)NN=c1nc(OC)cc(C)[n-]1)C(=O)[O-]	ZINC000827145878	604034400	/nfs/dbraw/zinc/03/44/00/604034400.db2.gz	GOXIAPYNDZKQNW-UHFFFAOYSA-N	-2	1	312.330	0.420	20	50		DCGDML
O=C([O-])Nc1ccc(C(=O)NNC(=O)c2ccncc2)c([O-])c1	ZINC000834258479	605626679	/nfs/dbraw/zinc/62/66/79/605626679.db2.gz	XJLIPCSFAYVABE-UHFFFAOYSA-N	-2	1	316.273	0.952	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)C2(NC(=O)[O-])CCCCC2)n[nH]1	ZINC000833898640	605775966	/nfs/dbraw/zinc/77/59/66/605775966.db2.gz	RALQGZVLAQYAJN-UHFFFAOYSA-N	-2	1	309.326	0.450	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)Cc2cccc(NC(=O)[O-])c2)n[nH]1	ZINC000833898860	605802496	/nfs/dbraw/zinc/80/24/96/605802496.db2.gz	SRZWZVYFPRTWHB-UHFFFAOYSA-N	-2	1	317.305	0.812	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)[C@H]2CCCC[C@@]2(C)NC(=O)[O-])n[nH]1	ZINC000833899282	606083229	/nfs/dbraw/zinc/08/32/29/606083229.db2.gz	ZHKSOPMLPBBNOL-YMTOWFKASA-N	-2	1	323.353	0.696	20	50		DCGDML
O=C([O-])c1ccc(/C=C/C(=O)N[N-]C(=O)c2ccnnc2)o1	ZINC001601236918	970962384	/nfs/dbraw/zinc/96/23/84/970962384.db2.gz	ZTOMTLFAGJMDLF-DUXPYHPUSA-N	-2	1	302.246	0.242	20	50		DCGDML
CNC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000743254438	978677078	/nfs/dbraw/zinc/67/70/78/978677078.db2.gz	QJKLCXRCLVXKEN-UHFFFAOYSA-N	-3	1	307.715	0.161	20	50		DCGDML
COc1cc[n-]c(=NNC(=O)Nc2cc(C(=O)[O-])ccn2)n1	ZINC001599722204	991558893	/nfs/dbraw/zinc/55/88/93/991558893.db2.gz	CEMZAVJXIUHZMU-UHFFFAOYSA-N	-2	1	304.266	0.727	20	50		DCGDML
O=C([O-])[C@]1(F)CCN(CC(=O)N[N-]C(=O)c2cccs2)C1	ZINC000833105105	601554141	/nfs/dbraw/zinc/55/41/41/601554141.db2.gz	GYOLVDBXTVBKTB-LBPRGKRZSA-N	-2	1	315.326	0.008	20	50		DCGDML
O=C([O-])NCCNC(=O)N[N-]C(=O)c1ccc(F)c(F)c1F	ZINC000832657681	604155551	/nfs/dbraw/zinc/15/55/51/604155551.db2.gz	DONKPUZYUKSWGN-UHFFFAOYSA-N	-2	1	320.227	0.316	20	50		DCGDML
CN(CC(=O)N[N-]C(=O)c1cc(-c2cccs2)[nH]n1)C(=O)[O-]	ZINC000828114622	605411071	/nfs/dbraw/zinc/41/10/71/605411071.db2.gz	IUWQLWDAMIHEBD-UHFFFAOYSA-N	-2	1	323.334	0.509	20	50		DCGDML
O=C([O-])NCCC(=O)NN=Cc1n[nH]c2cc(C(=O)[O-])ccc12	ZINC000834227623	605750074	/nfs/dbraw/zinc/75/00/74/605750074.db2.gz	XUORIUZVPWLUCV-UHFFFAOYSA-N	-2	1	319.277	0.369	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)Cc2ccccc2NC(=O)[O-])n[nH]1	ZINC000833898279	606082216	/nfs/dbraw/zinc/08/22/16/606082216.db2.gz	MRAGFMOSXZECFK-UHFFFAOYSA-N	-2	1	317.305	0.812	20	50		DCGDML
O=C([O-])CCc1cccc(NC(=O)N[N-]C(=O)c2cc[nH]n2)c1	ZINC001595064429	951537060	/nfs/dbraw/zinc/53/70/60/951537060.db2.gz	SPLLOMAVGROQPP-UHFFFAOYSA-N	-2	1	317.305	0.893	20	50		DCGDML
O=C([O-])c1cc(NC(=O)N[N-]C(=O)c2ccnnc2)ccn1	ZINC001574578809	962093269	/nfs/dbraw/zinc/09/32/69/962093269.db2.gz	PWBSFJRAXONLFI-UHFFFAOYSA-N	-2	1	302.250	0.036	20	50		DCGDML
CCCc1c(C(=O)N[N-]C(=O)c2cc[nH]n2)[nH]c(C)c1C(=O)[O-]	ZINC001596042477	983329594	/nfs/dbraw/zinc/32/95/94/983329594.db2.gz	UAQXMNPQKDLXDJ-UHFFFAOYSA-N	-2	1	319.321	0.772	20	50		DCGDML
C[C@@H](NC(=S)N[N-]C(=O)c1cc(C(=O)[O-])ccn1)C1CC1	ZINC001593189189	994109875	/nfs/dbraw/zinc/10/98/75/994109875.db2.gz	DQENXXIJMRUXMZ-SSDOTTSWSA-N	-2	1	308.363	0.687	20	50		DCGDML
CC[C@H](C)C(=O)[N-][N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000828700797	601835460	/nfs/dbraw/zinc/83/54/60/601835460.db2.gz	RUEZRANOUTWBAS-YFKPBYRVSA-N	-3	1	307.353	0.197	20	50		DCGDML
CCCCNC(=O)[N-][N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000829402400	601838806	/nfs/dbraw/zinc/83/88/06/601838806.db2.gz	VWFFTMGWDPQYAS-UHFFFAOYSA-N	-3	1	322.368	0.134	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)n1	ZINC000829101329	603965606	/nfs/dbraw/zinc/96/56/06/603965606.db2.gz	HMCUDSNWVSIHIC-BDAKNGLRSA-N	-2	1	309.326	0.673	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)CCc2ccc(C(=O)[O-])cc2)n[nH]1	ZINC000832864431	604280764	/nfs/dbraw/zinc/28/07/64/604280764.db2.gz	DWTSDTACWZVHLR-UHFFFAOYSA-N	-2	1	316.317	0.810	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)C2(CNC(=O)[O-])CCCC2)n[nH]1	ZINC000829957059	605411746	/nfs/dbraw/zinc/41/17/46/605411746.db2.gz	UHPUHYLKVFTQNP-UHFFFAOYSA-N	-2	1	309.326	0.307	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@H](CC(C)C)NC(=O)[O-])n1	ZINC000829101035	605763589	/nfs/dbraw/zinc/76/35/89/605763589.db2.gz	CPQAHRUKWIXQCJ-VIFPVBQESA-N	-2	1	311.342	0.919	20	50		DCGDML
O=C([O-])NCCCC(=O)N[N-]C(=O)c1ccc(F)c(F)c1F	ZINC000834230095	605979397	/nfs/dbraw/zinc/97/93/97/605979397.db2.gz	QETZIXQOSUSAAO-UHFFFAOYSA-N	-2	1	319.239	0.913	20	50		DCGDML
O=C([O-])c1ccccc1CC(=O)N[N-]C(=O)c1ccnnc1	ZINC001594709688	956866648	/nfs/dbraw/zinc/86/66/48/956866648.db2.gz	HABZXQNWDCOTFI-UHFFFAOYSA-N	-2	1	300.274	0.179	20	50		DCGDML
Cc1csc(C(=O)[N-]NC(=O)C2(C(=O)[O-])CCOCC2)c1	ZINC001594435956	959231691	/nfs/dbraw/zinc/23/16/91/959231691.db2.gz	PANDNMDKZZRKQF-UHFFFAOYSA-N	-2	1	312.347	0.699	20	50		DCGDML
COc1cc(NC(=O)N[N-]C(=O)c2cc[nH]n2)ccc1C(=O)[O-]	ZINC001599440130	997917122	/nfs/dbraw/zinc/91/71/22/997917122.db2.gz	PCHAWGVDPIYJRP-UHFFFAOYSA-N	-2	1	319.277	0.583	20	50		DCGDML
C[C@H](CC(=O)[O-])C(=O)N[N-]C(=O)c1cc(-c2ccccc2)[nH]n1	ZINC000827304360	602265991	/nfs/dbraw/zinc/26/59/91/602265991.db2.gz	SFTXEUPGNKMDCC-SECBINFHSA-N	-2	1	316.317	0.949	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)n1	ZINC000829101342	603965809	/nfs/dbraw/zinc/96/58/09/603965809.db2.gz	HMCUDSNWVSIHIC-RKDXNWHRSA-N	-2	1	309.326	0.673	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)CC2(NC(=O)[O-])CCC2)n1	ZINC000829100886	604204851	/nfs/dbraw/zinc/20/48/51/604204851.db2.gz	AMQZGIVGKBJORY-UHFFFAOYSA-N	-2	1	309.326	0.817	20	50		DCGDML
O=C([O-])NCC(=O)N[N-]C(=O)c1cccnc1C(F)(F)F	ZINC000834202843	605457713	/nfs/dbraw/zinc/45/77/13/605457713.db2.gz	DSYXRSYLPOIHDN-UHFFFAOYSA-N	-2	1	306.200	0.129	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)n1	ZINC000831076880	969210503	/nfs/dbraw/zinc/21/05/03/969210503.db2.gz	BUZYXJPLMBTJKZ-DTWKUNHWSA-N	-2	1	309.326	0.673	20	50		DCGDML
O=C([O-])NCCCC(=O)NNC(=O)c1cc(Cl)ccc1[O-]	ZINC000739956901	978660289	/nfs/dbraw/zinc/66/02/89/978660289.db2.gz	OJLBCDSBCSNSCM-UHFFFAOYSA-N	-2	1	315.713	0.854	20	50		DCGDML
Cc1ccc(C(=O)[N-]NC(=O)c2csc(CNC(=O)[O-])n2)o1	ZINC000830225878	603797857	/nfs/dbraw/zinc/79/78/57/603797857.db2.gz	ZEKMOLNXUSUZRG-UHFFFAOYSA-N	-2	1	324.318	0.887	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)NCCN(C(=O)[O-])C2CC2)n1	ZINC000829102097	604034856	/nfs/dbraw/zinc/03/48/56/604034856.db2.gz	TVJCPPGCHWGGLN-UHFFFAOYSA-N	-2	1	324.341	0.562	20	50		DCGDML
CC(C)OC(=O)N[N-]S(=O)(=O)CC1(C(=O)[O-])CCCCC1	ZINC001591682535	975477845	/nfs/dbraw/zinc/47/78/45/975477845.db2.gz	UHXWVYSRPNAEKB-UHFFFAOYSA-N	-2	1	322.383	0.991	20	50		DCGDML
C[C@H](CC(=O)[O-])C(=O)NNC(=O)c1cc(Cl)ccc1[O-]	ZINC000827303761	602295890	/nfs/dbraw/zinc/29/58/90/602295890.db2.gz	JALUEPLAIYWDDX-ZCFIWIBFSA-N	-2	1	300.698	0.917	20	50		DCGDML
Cc1cc(F)c(C(=O)[N-]NC(=O)NCCNC(=O)[O-])cc1F	ZINC000830055279	603946176	/nfs/dbraw/zinc/94/61/76/603946176.db2.gz	RBPOZPVMQCHLDS-UHFFFAOYSA-N	-2	1	316.264	0.485	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)c2ccc(CNC(=O)[O-])cc2)n[nH]1	ZINC000829962172	604927559	/nfs/dbraw/zinc/92/75/59/604927559.db2.gz	UWJLSIIRDDPXAI-UHFFFAOYSA-N	-2	1	317.305	0.561	20	50		DCGDML
COc1cc[n-]c(=NNC(=O)Nc2ccnc(C(=O)[O-])c2)n1	ZINC001594151162	958799666	/nfs/dbraw/zinc/79/96/66/958799666.db2.gz	WSRVQZQIATXMOB-UHFFFAOYSA-N	-2	1	304.266	0.727	20	50		DCGDML
CC(C)(C(=O)[O-])C(=O)OCC(=O)N[N-]C(=O)c1cccs1	ZINC001588618629	959532853	/nfs/dbraw/zinc/53/28/53/959532853.db2.gz	OYZWIRMGKISSDY-UHFFFAOYSA-N	-2	1	314.319	0.163	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])n1	ZINC000829101521	603966901	/nfs/dbraw/zinc/96/69/01/603966901.db2.gz	IYUXQQYPOBGWIV-RKDXNWHRSA-N	-2	1	309.326	0.673	20	50		DCGDML
O=C([O-])NCCCC(=O)N[N-]C(=O)c1cc(F)ccc1F	ZINC000834230016	605977980	/nfs/dbraw/zinc/97/79/80/605977980.db2.gz	NXQKABBNPJJOMZ-UHFFFAOYSA-N	-2	1	301.249	0.774	20	50		DCGDML
C[C@@H](C(=O)[O-])C(=O)N[N-]C(=O)c1cc(-c2cccs2)[nH]n1	ZINC001602803895	971581011	/nfs/dbraw/zinc/58/10/11/971581011.db2.gz	BLHKXHPREBJQKB-ZCFIWIBFSA-N	-2	1	308.319	0.620	20	50		DCGDML
Nc1cn[n-]c(=NNC(=O)[C@]2(C(=O)[O-])CC=CCC2)c1Cl	ZINC001346333071	958066688	/nfs/dbraw/zinc/06/66/88/958066688.db2.gz	ONZMVTSSXZYTKL-LBPRGKRZSA-N	-2	1	311.729	0.966	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)C2(C(=O)[O-])CCCCCC2)n[nH]1	ZINC001605120727	972780049	/nfs/dbraw/zinc/78/00/49/972780049.db2.gz	PWOXIYJBSYRJOV-UHFFFAOYSA-N	-2	1	308.338	0.904	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@@H]2CCCCN2C(=O)[O-])n1	ZINC000829101042	603967020	/nfs/dbraw/zinc/96/70/20/603967020.db2.gz	CRFGEJMEIRHMMX-VIFPVBQESA-N	-2	1	309.326	0.769	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@]2(C)CCN(C(=O)[O-])C2)n1	ZINC000829102372	603993931	/nfs/dbraw/zinc/99/39/31/603993931.db2.gz	XJXGKHZXFHQFCR-CYBMUJFWSA-N	-2	1	309.326	0.627	20	50		DCGDML
O=C([O-])[C@H]1C[C@@H]1C(=O)N[N-]C(=O)c1cc(-c2cccs2)[nH]n1	ZINC000833149387	604281847	/nfs/dbraw/zinc/28/18/47/604281847.db2.gz	PBAJVXGCXXYQOJ-BQBZGAKWSA-N	-2	1	320.330	0.620	20	50		DCGDML
O=C([O-])N(CC(=O)NN=c1ncc(F)c[n-]1)C[C@H]1CCCO1	ZINC000834005774	605610023	/nfs/dbraw/zinc/61/00/23/605610023.db2.gz	GSWSGVAVAHKLDZ-SECBINFHSA-N	-2	1	313.289	0.218	20	50		DCGDML
CCNC(=O)[N-][N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000737124071	978380575	/nfs/dbraw/zinc/38/05/75/978380575.db2.gz	USBXCWRMJSTILF-UHFFFAOYSA-N	-3	1	305.287	0.036	20	50		DCGDML
O=C([O-])NCCC(=O)N[N-]C(=O)c1cc(-c2ccccc2)[nH]n1	ZINC000739937625	978659104	/nfs/dbraw/zinc/65/91/04/978659104.db2.gz	CESKTPUWOQTTAL-UHFFFAOYSA-N	-2	1	317.305	0.495	20	50		DCGDML
CCNC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000743257745	978677784	/nfs/dbraw/zinc/67/77/84/978677784.db2.gz	WUSYUQYJTKNGSX-UHFFFAOYSA-N	-3	1	321.742	0.551	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)C2CCN(C(=O)[O-])CC2)n1	ZINC000829100889	603965619	/nfs/dbraw/zinc/96/56/19/603965619.db2.gz	AMYGGNQTMLOANO-UHFFFAOYSA-N	-2	1	309.326	0.627	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@@H]2CSCN2C(=O)[O-])n1	ZINC000829102334	603968051	/nfs/dbraw/zinc/96/80/51/603968051.db2.gz	WYGIAEMVYLVFSC-ZETCQYMHSA-N	-2	1	313.339	0.290	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)NC2CCN(C(=O)[O-])CC2)n1	ZINC000829101308	604027029	/nfs/dbraw/zinc/02/70/29/604027029.db2.gz	GVRSKWRMFWOIAK-UHFFFAOYSA-N	-2	1	324.341	0.562	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)CC[C@H]2CCN(C(=O)[O-])C2)n[nH]1	ZINC000833899213	605543625	/nfs/dbraw/zinc/54/36/25/605543625.db2.gz	YNMPAOQNWXIHTI-VIFPVBQESA-N	-2	1	309.326	0.259	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)[C@H]2CCCC[C@]2(C)NC(=O)[O-])n[nH]1	ZINC000833899278	606083273	/nfs/dbraw/zinc/08/32/73/606083273.db2.gz	ZHKSOPMLPBBNOL-OTYXRUKQSA-N	-2	1	323.353	0.696	20	50		DCGDML
O=C([O-])C1(C(=O)N[N-]C(=O)c2cc(-c3cccs3)[nH]n2)CC1	ZINC001594779573	953616206	/nfs/dbraw/zinc/61/62/06/953616206.db2.gz	UBJHIIXLBVWQPH-UHFFFAOYSA-N	-2	1	320.330	0.764	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)NC[C@@H](C(=O)[O-])C(C)C)n1	ZINC000848589402	969266709	/nfs/dbraw/zinc/26/67/09/969266709.db2.gz	FEMUTDCXGDIPLO-SECBINFHSA-N	-2	1	311.342	0.777	20	50		DCGDML
CCCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000829513213	601232520	/nfs/dbraw/zinc/23/25/20/601232520.db2.gz	ICHKVEVWHKSADC-UHFFFAOYSA-N	-3	1	305.312	0.189	20	50		DCGDML
O=C([O-])[C@@H]1C[C@@H]1C(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC000833149493	601272190	/nfs/dbraw/zinc/27/21/90/601272190.db2.gz	RSCBNOJBLMHSJL-JGVFFNPUSA-N	-2	1	300.673	0.961	20	50		DCGDML
COc1cc[n-]c(=NNC(=O)NC2CCC(C(=O)[O-])CC2)n1	ZINC000738142769	955233699	/nfs/dbraw/zinc/23/36/99/955233699.db2.gz	HFHRZOQPFBBUOJ-UHFFFAOYSA-N	-2	1	309.326	0.755	20	50		DCGDML
O=C([O-])COCC(=O)N[N-]C(=O)c1c(Cl)cccc1Cl	ZINC001595106897	970297311	/nfs/dbraw/zinc/29/73/11/970297311.db2.gz	AZPUDCRZOFLFJC-UHFFFAOYSA-N	-2	1	321.116	0.856	20	50		DCGDML
O=C([O-])COCC(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC001595106916	979437096	/nfs/dbraw/zinc/43/70/96/979437096.db2.gz	CHMZFCSTGJBLQI-UHFFFAOYSA-N	-2	1	304.661	0.341	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@H]2CCCN(C(=O)[O-])C2)n1	ZINC000829102454	603965687	/nfs/dbraw/zinc/96/56/87/603965687.db2.gz	YVKCIYLCUXQIGD-VIFPVBQESA-N	-2	1	309.326	0.627	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)Cc2ccc(NC(=O)[O-])cc2)n[nH]1	ZINC000829957107	604930573	/nfs/dbraw/zinc/93/05/73/604930573.db2.gz	WKJCAPCCEVTETK-UHFFFAOYSA-N	-2	1	317.305	0.812	20	50		DCGDML
O=C([O-])NCC(=O)N[N-]C(=O)c1cc(-c2cccs2)[nH]n1	ZINC000832397560	605413299	/nfs/dbraw/zinc/41/32/99/605413299.db2.gz	XSIYWKSRTLWVMF-UHFFFAOYSA-N	-2	1	309.307	0.167	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)n1	ZINC000829101346	605763638	/nfs/dbraw/zinc/76/36/38/605763638.db2.gz	HNMFPOVWSBMIDV-SECBINFHSA-N	-2	1	311.342	0.919	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)Nc2cccc(CC(=O)[O-])c2)n[nH]1	ZINC001594281114	957743944	/nfs/dbraw/zinc/74/39/44/957743944.db2.gz	RDCIREYUBHBMPG-UHFFFAOYSA-N	-2	1	317.305	0.812	20	50		DCGDML
O=C([O-])c1ccc(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)o1	ZINC000739454901	978640880	/nfs/dbraw/zinc/64/08/80/978640880.db2.gz	WCMRVKYSPMANSL-UHFFFAOYSA-N	-3	1	317.323	0.413	20	50		DCGDML
C[C@@H](CC(=O)NNC(=O)c1cc(Cl)ccc1[O-])NC(=O)[O-]	ZINC000824671271	603437511	/nfs/dbraw/zinc/43/75/11/603437511.db2.gz	FJXFWJLMUFXKER-LURJTMIESA-N	-2	1	315.713	0.853	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)n[nH]1	ZINC000829956728	604929579	/nfs/dbraw/zinc/92/95/79/604929579.db2.gz	MORNQSNLIRMWME-DTWKUNHWSA-N	-2	1	309.326	0.306	20	50		DCGDML
COc1cc[n-]c(=NNC(=O)NC[C@H](C(=O)[O-])C2CCC2)n1	ZINC001594151195	958798989	/nfs/dbraw/zinc/79/89/89/958798989.db2.gz	XQIPAXDUIDJFCE-VIFPVBQESA-N	-2	1	309.326	0.612	20	50		DCGDML
CCNC(=O)[N-][N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-]	ZINC001596471230	984196569	/nfs/dbraw/zinc/19/65/69/984196569.db2.gz	VRRRVOMGVLICSI-UHFFFAOYSA-N	-3	1	305.312	0.107	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)n1	ZINC000829101975	604039019	/nfs/dbraw/zinc/03/90/19/604039019.db2.gz	POOGXXYZOCQTHG-VIFPVBQESA-N	-2	1	324.341	0.562	20	50		DCGDML
O=C([O-])NCCC(=O)N[N-]C(=O)c1cc(Cl)ccc1F	ZINC000834227508	605843023	/nfs/dbraw/zinc/84/30/23/605843023.db2.gz	WEMNUKHKYVALRP-UHFFFAOYSA-N	-2	1	303.677	0.898	20	50		DCGDML
Cc1csc(C(=O)[N-]NC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC001594435259	959219297	/nfs/dbraw/zinc/21/92/97/959219297.db2.gz	AUJPKAVDJAYTPT-MRVPVSSYSA-N	-2	1	313.335	0.196	20	50		DCGDML
Cc1csc(C(=O)[N-]NC(=O)N2CCO[C@H](C(=O)[O-])C2)c1	ZINC001594435261	959220016	/nfs/dbraw/zinc/22/00/16/959220016.db2.gz	AUJPKAVDJAYTPT-QMMMGPOBSA-N	-2	1	313.335	0.196	20	50		DCGDML
O=C([O-])NCCC(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC000832599699	601272182	/nfs/dbraw/zinc/27/21/82/601272182.db2.gz	YBTDCNAZXQIXQL-UHFFFAOYSA-N	-2	1	303.677	0.898	20	50		DCGDML
CC(=NNC(=O)NCCNC(=O)[O-])c1cc(F)cc(F)c1[O-]	ZINC000823526612	603806054	/nfs/dbraw/zinc/80/60/54/603806054.db2.gz	BSAJPXAWAXGKTK-UHFFFAOYSA-N	-2	1	316.264	0.961	20	50		DCGDML
O=C([O-])NCC(=O)NN=Cc1cccc(Br)c1[O-]	ZINC000834201965	605387317	/nfs/dbraw/zinc/38/73/17/605387317.db2.gz	OIIGJEAXOILZJE-UHFFFAOYSA-N	-2	1	316.111	0.872	20	50		DCGDML
Cc1cc(NC(=O)N[N-]C(=O)c2cc[nH]n2)ccc1C(=O)[O-]	ZINC001594323529	958142530	/nfs/dbraw/zinc/14/25/30/958142530.db2.gz	XSMGCDMUZQOOSJ-UHFFFAOYSA-N	-2	1	303.278	0.883	20	50		DCGDML
COc1cc[n-]c(=NNC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)n1	ZINC000738143258	978485677	/nfs/dbraw/zinc/48/56/77/978485677.db2.gz	OIVPPZBBSKCYDO-MRVPVSSYSA-N	-2	1	310.314	0.254	20	50		DCGDML
CCNC(=O)[N-][N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000829799396	601859935	/nfs/dbraw/zinc/85/99/35/601859935.db2.gz	JMMQBVNCFFBWCC-UHFFFAOYSA-N	-3	1	305.287	0.036	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)NC[C@@H]2CCCN2C(=O)[O-])n1	ZINC000829101756	604036374	/nfs/dbraw/zinc/03/63/74/604036374.db2.gz	LPTMMPRVSYEPTM-VIFPVBQESA-N	-2	1	324.341	0.562	20	50		DCGDML
C[C@H](NC(=O)[O-])C(=O)N[N-]C(=O)c1cc(-c2cccs2)[nH]n1	ZINC000825186130	605409687	/nfs/dbraw/zinc/40/96/87/605409687.db2.gz	LTFGNUACROJXPF-LURJTMIESA-N	-2	1	323.334	0.555	20	50		DCGDML
CC[C@H](C(=O)[O-])C(=O)OCC(=O)N[N-]C(=O)c1cccs1	ZINC001594763961	981703152	/nfs/dbraw/zinc/70/31/52/981703152.db2.gz	BCNNXXOZVSLYEU-SSDOTTSWSA-N	-2	1	314.319	0.163	20	50		DCGDML
CN(C)C(=O)[N-][N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-]	ZINC001598139994	990601254	/nfs/dbraw/zinc/60/12/54/990601254.db2.gz	LNOWSYQWJZAHGB-UHFFFAOYSA-N	-3	1	321.742	0.503	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)c2cccc(C(=O)[O-])n2)n1	ZINC000831972856	601108217	/nfs/dbraw/zinc/10/82/17/601108217.db2.gz	SZGRVYZSYDFDSC-UHFFFAOYSA-N	-2	1	303.278	0.644	20	50		DCGDML
COc1cc[n-]c(=NNC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])n1	ZINC000829650581	604184064	/nfs/dbraw/zinc/18/40/64/604184064.db2.gz	SNLLQZFWRJOXFI-DTWKUNHWSA-N	-2	1	324.341	0.548	20	50		DCGDML
O=C(NN=c1[n-]cnc2[nH]cnc21)c1ccc(-c2nnn[n-]2)cc1	ZINC000738136657	945237606	/nfs/dbraw/zinc/23/76/06/945237606.db2.gz	ILXLDKCPVHKCMF-UHFFFAOYSA-N	-2	1	322.292	0.290	20	50		DCGDML
CC(C)C(=O)[N-][N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC000751141983	978691058	/nfs/dbraw/zinc/69/10/58/978691058.db2.gz	JYTYFIJKVMVRGZ-UHFFFAOYSA-N	-3	1	322.289	0.629	20	50		DCGDML
CN(C)C(=O)[N-][N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F	ZINC001598139717	990599758	/nfs/dbraw/zinc/59/97/58/990599758.db2.gz	AZBYHMABCUOAPA-UHFFFAOYSA-N	-3	1	323.277	0.128	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)N[C@H](CNC(=O)[O-])C2CC2)n1	ZINC000829102350	604041784	/nfs/dbraw/zinc/04/17/84/604041784.db2.gz	XIKKKFTWVSVKOJ-SECBINFHSA-N	-2	1	324.341	0.466	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)CN(C(=O)[O-])c2ccccc2)n[nH]1	ZINC000829956899	605412293	/nfs/dbraw/zinc/41/22/93/605412293.db2.gz	PMSCVVQYAKCCMP-UHFFFAOYSA-N	-2	1	317.305	0.664	20	50		DCGDML
O=C([O-])NCC(=O)N[N-]C(=O)c1cc(F)c(F)cc1Cl	ZINC000834203493	605467835	/nfs/dbraw/zinc/46/78/35/605467835.db2.gz	RQGWKZWPBRDPQL-UHFFFAOYSA-N	-2	1	307.640	0.647	20	50		DCGDML
O=C([O-])NCC(=O)N[N-]C(=O)c1cc(F)c(Cl)cc1F	ZINC000834203080	605471178	/nfs/dbraw/zinc/47/11/78/605471178.db2.gz	HLDHKPWMUAKUJH-UHFFFAOYSA-N	-2	1	307.640	0.647	20	50		DCGDML
O=C([O-])N1CCSC[C@@H]1CC(=O)NN=c1ncc(F)c[n-]1	ZINC000833988451	605609560	/nfs/dbraw/zinc/60/95/60/605609560.db2.gz	OTYCJVOJROINHY-QMMMGPOBSA-N	-2	1	315.330	0.544	20	50		DCGDML
C[C@H](C(=O)[O-])C(=O)N[N-]C(=O)c1cc(-c2cccs2)[nH]n1	ZINC001602803894	971580783	/nfs/dbraw/zinc/58/07/83/971580783.db2.gz	BLHKXHPREBJQKB-LURJTMIESA-N	-2	1	308.319	0.620	20	50		DCGDML
O=C([O-])CCC(=O)N[N-]C(=O)c1cc(-c2ccc(F)cc2)[nH]n1	ZINC001594996901	951089691	/nfs/dbraw/zinc/08/96/91/951089691.db2.gz	VRDOEZQSXCMQRE-UHFFFAOYSA-N	-2	1	320.280	0.842	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)c2coc(C=CC(=O)[O-])c2)n[nH]1	ZINC001594281110	957744554	/nfs/dbraw/zinc/74/45/54/957744554.db2.gz	QKOZBDHERGUASN-NSCUHMNNSA-N	-2	1	304.262	0.484	20	50		DCGDML
C[C@H](CSCC(=O)N[N-]C(=O)c1cccs1)C(=O)[O-]	ZINC000086107848	957951439	/nfs/dbraw/zinc/95/14/39/957951439.db2.gz	VMNTZPPXUDSEPB-SSDOTTSWSA-N	-2	1	302.377	0.963	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)n1	ZINC001604700584	973898982	/nfs/dbraw/zinc/89/89/82/973898982.db2.gz	MNLVDUWDHMDWAI-UWVGGRQHSA-N	-2	1	324.337	0.507	20	50		DCGDML
O=C([O-])NCc1ccc(C(=O)N[N-]C(=O)c2ccccn2)o1	ZINC000832701626	603211099	/nfs/dbraw/zinc/21/10/99/603211099.db2.gz	BCMAJHITNHHPNK-UHFFFAOYSA-N	-2	1	304.262	0.517	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)n1	ZINC000829102375	603993978	/nfs/dbraw/zinc/99/39/78/603993978.db2.gz	XJXGKHZXFHQFCR-ZDUSSCGKSA-N	-2	1	309.326	0.627	20	50		DCGDML
O=C([O-])[C@@H]1C[C@H]1C(=O)N[N-]C(=O)c1cc(-c2cccs2)[nH]n1	ZINC000833149389	604281361	/nfs/dbraw/zinc/28/13/61/604281361.db2.gz	PBAJVXGCXXYQOJ-RNFRBKRXSA-N	-2	1	320.330	0.620	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)c2ccc(NC(=O)[O-])cc2O)n[nH]1	ZINC000829961963	605412115	/nfs/dbraw/zinc/41/21/15/605412115.db2.gz	QKLLYVBQXMHNEP-UHFFFAOYSA-N	-2	1	319.277	0.588	20	50		DCGDML
Cc1cc(C(=O)NNC(=O)c2ccc(NC(=O)[O-])cc2[O-])[nH]n1	ZINC000829961963	605412120	/nfs/dbraw/zinc/41/21/20/605412120.db2.gz	QKLLYVBQXMHNEP-UHFFFAOYSA-N	-2	1	319.277	0.588	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)[C@H](NC(=O)[O-])c2ccccc2)n[nH]1	ZINC000833898728	605776308	/nfs/dbraw/zinc/77/63/08/605776308.db2.gz	RCEKCSOCWOWQBQ-LLVKDONJSA-N	-2	1	317.305	0.488	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)Nc2ccccc2C(=O)[O-])n[nH]1	ZINC001611128508	970902909	/nfs/dbraw/zinc/90/29/09/970902909.db2.gz	RKEIFFRVNFHQHM-UHFFFAOYSA-N	-2	1	303.278	0.883	20	50		DCGDML
C[C@@H](C(=O)[O-])C(=O)N[N-]C(=O)c1cc(-c2ccc(F)cc2)[nH]n1	ZINC001588573668	959200683	/nfs/dbraw/zinc/20/06/83/959200683.db2.gz	IBLWDBMOJULVLS-SSDOTTSWSA-N	-2	1	320.280	0.698	20	50		DCGDML
O=C([O-])[C@H]1C[C@H]1C(=O)N[N-]C(=O)c1cc(-c2ccccc2)[nH]n1	ZINC000739454040	978638894	/nfs/dbraw/zinc/63/88/94/978638894.db2.gz	OBVPLLRYYLEZBT-ZJUUUORDSA-N	-2	1	314.301	0.558	20	50		DCGDML
CCNC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000743257220	978677865	/nfs/dbraw/zinc/67/78/65/978677865.db2.gz	SHRVVCBRXUNMJD-UHFFFAOYSA-N	-3	1	305.287	0.036	20	50		DCGDML
Nc1cn[n-]c(=NNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c1Cl	ZINC001346333070	958065763	/nfs/dbraw/zinc/06/57/63/958065763.db2.gz	ONZMVTSSXZYTKL-GFCCVEGCSA-N	-2	1	311.729	0.966	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)NCC(C)(C)CC(=O)[O-])n1	ZINC001599394740	997104284	/nfs/dbraw/zinc/10/42/84/997104284.db2.gz	YKLAJHWEDWFFKO-UHFFFAOYSA-N	-2	1	311.342	0.921	20	50		DCGDML
Cn1ccnc(NNC(=O)c2ccc(NC(=O)[O-])cc2[O-])c1=O	ZINC000831031469	603702149	/nfs/dbraw/zinc/70/21/49/603702149.db2.gz	PZOJWYWTBUSSCQ-UHFFFAOYSA-N	-2	1	319.277	0.333	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@@H]2CCCN(C(=O)[O-])C2)n1	ZINC000829102453	603965652	/nfs/dbraw/zinc/96/56/52/603965652.db2.gz	YVKCIYLCUXQIGD-SECBINFHSA-N	-2	1	309.326	0.627	20	50		DCGDML
Cc1onc(-c2ccccc2)c1C(=O)[N-]NC(=O)CNC(=O)[O-]	ZINC000833935232	605461950	/nfs/dbraw/zinc/46/19/50/605461950.db2.gz	DUYORDADNGGMJO-UHFFFAOYSA-N	-2	1	318.289	0.679	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)Cc2ccccc2C(=O)[O-])n[nH]1	ZINC001605120428	972779003	/nfs/dbraw/zinc/77/90/03/972779003.db2.gz	FKNIEDDFMREQBU-UHFFFAOYSA-N	-2	1	302.290	0.420	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)c2ccc(C(=O)[O-])nc2)n1	ZINC000831972445	601108150	/nfs/dbraw/zinc/10/81/50/601108150.db2.gz	KWOSKFNVEXBELH-UHFFFAOYSA-N	-2	1	303.278	0.644	20	50		DCGDML
CNC(=O)[N-][N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000831000422	601829131	/nfs/dbraw/zinc/82/91/31/601829131.db2.gz	FRPUKMUDFSNBGW-UHFFFAOYSA-N	-3	1	307.715	0.161	20	50		DCGDML
O=C([O-])NCCNC(=O)N[N-]C(=O)c1cccc(F)c1Cl	ZINC000832657608	602945025	/nfs/dbraw/zinc/94/50/25/602945025.db2.gz	BNIZKWYPXNQDLO-UHFFFAOYSA-N	-2	1	318.692	0.691	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@H]2CCCCN2C(=O)[O-])n1	ZINC000829101041	603967128	/nfs/dbraw/zinc/96/71/28/603967128.db2.gz	CRFGEJMEIRHMMX-SECBINFHSA-N	-2	1	309.326	0.769	20	50		DCGDML
O=C([O-])NCCCC(=O)N[N-]C(=O)c1cc(-c2ccco2)[nH]n1	ZINC000834230723	605978467	/nfs/dbraw/zinc/97/84/67/605978467.db2.gz	BUMKOWUHJSLFPT-UHFFFAOYSA-N	-2	1	321.293	0.479	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)Nc2cc(C(=O)[O-])ccn2)n[nH]1	ZINC001605120412	972779208	/nfs/dbraw/zinc/77/92/08/972779208.db2.gz	BYXPBANOBMFUHV-UHFFFAOYSA-N	-2	1	304.266	0.278	20	50		DCGDML
CN(C)C(=O)[N-][N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1	ZINC000737350287	978398826	/nfs/dbraw/zinc/39/88/26/978398826.db2.gz	YCNOYFNQVBQKAT-UHFFFAOYSA-N	-3	1	321.742	0.503	20	50		DCGDML
CCNC(=O)[N-][N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000737857592	978451663	/nfs/dbraw/zinc/45/16/63/978451663.db2.gz	HVGMIGUSJAZCAN-UHFFFAOYSA-N	-3	1	305.287	0.036	20	50		DCGDML
CC(=O)[N-][N-]S(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C	ZINC001589150615	985472933	/nfs/dbraw/zinc/47/29/33/985472933.db2.gz	XVPQGRWGZOTFRL-UHFFFAOYSA-N	-3	1	312.756	0.738	20	50		DCGDML
COc1cc[n-]c(=NNC(=O)NC[C@H](CC(=O)[O-])C2CC2)n1	ZINC001599722194	991558315	/nfs/dbraw/zinc/55/83/15/991558315.db2.gz	BTUKKUPXQLYGKJ-VIFPVBQESA-N	-2	1	309.326	0.612	20	50		DCGDML
CN(C)C(=O)[N-][N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC000830563388	601838799	/nfs/dbraw/zinc/83/87/99/601838799.db2.gz	JHZYFIDQBDGJAN-UHFFFAOYSA-N	-3	1	323.277	0.128	20	50		DCGDML
COc1cc(C)[n-]c(=NNC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])n1	ZINC000829101515	603967088	/nfs/dbraw/zinc/96/70/88/603967088.db2.gz	IYUXQQYPOBGWIV-BDAKNGLRSA-N	-2	1	309.326	0.673	20	50		DCGDML
O=C([O-])NCCC(=O)N[N-]C(=O)c1cc(-c2cccs2)[nH]n1	ZINC000832599396	604923159	/nfs/dbraw/zinc/92/31/59/604923159.db2.gz	MYGGWKSMMYJNIZ-UHFFFAOYSA-N	-2	1	323.334	0.557	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)CC[C@@H]2CCN(C(=O)[O-])C2)n[nH]1	ZINC000833899212	605543560	/nfs/dbraw/zinc/54/35/60/605543560.db2.gz	YNMPAOQNWXIHTI-SECBINFHSA-N	-2	1	309.326	0.259	20	50		DCGDML
O=C([O-])NCCCC(=O)N[N-]C(=O)c1c(O)cc(F)cc1F	ZINC000834232736	605995463	/nfs/dbraw/zinc/99/54/63/605995463.db2.gz	WQLXZOKIGNUJBT-UHFFFAOYSA-N	-2	1	317.248	0.479	20	50		DCGDML
CO[C@H](C(=O)[O-])C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl	ZINC001593911456	955967895	/nfs/dbraw/zinc/96/78/95/955967895.db2.gz	LXOGYQNJBQMGLF-QMMMGPOBSA-N	-2	1	321.116	0.854	20	50		DCGDML
O=C([O-])NCCC(=O)NNC(=O)c1cc(Cl)ccc1[O-]	ZINC000739938255	978659563	/nfs/dbraw/zinc/65/95/63/978659563.db2.gz	PEJIEYSHSDOHGA-UHFFFAOYSA-N	-2	1	301.686	0.464	20	50		DCGDML
CCC(=O)[N-][N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC000751143192	978691112	/nfs/dbraw/zinc/69/11/12/978691112.db2.gz	WWSXAUCKWFRANF-UHFFFAOYSA-N	-3	1	308.262	0.383	20	50		DCGDML
O=C([O-])[C@@H]1CC[C@H]1C(=O)NNC(=O)c1cc(Cl)ccc1[O-]	ZINC001574578714	962092529	/nfs/dbraw/zinc/09/25/29/962092529.db2.gz	MFTULOPWVMSXAK-HTQZYQBOSA-N	-2	1	312.709	0.917	20	50		DCGDML
CCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC000737124102	978380402	/nfs/dbraw/zinc/38/04/02/978380402.db2.gz	WKTGMMKFBDIILH-UHFFFAOYSA-N	-3	1	323.277	0.175	20	50		DCGDML
O=C([O-])[C@@H]1C[C@@H]1C(=O)N[N-]C(=O)c1cc(-c2cccs2)[nH]n1	ZINC000833149388	604281484	/nfs/dbraw/zinc/28/14/84/604281484.db2.gz	PBAJVXGCXXYQOJ-NKWVEPMBSA-N	-2	1	320.330	0.620	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)CC[C@@H]2CCCN2C(=O)[O-])n[nH]1	ZINC000833898631	605543785	/nfs/dbraw/zinc/54/37/85/605543785.db2.gz	QPTPLGDABJQBNX-VIFPVBQESA-N	-2	1	309.326	0.402	20	50		DCGDML
Nc1cn[n-]c(=NNC(=O)C2(C(=O)[O-])CCOCC2)c1Cl	ZINC001594666747	956581753	/nfs/dbraw/zinc/58/17/53/956581753.db2.gz	VRTBKONRPFAKSX-UHFFFAOYSA-N	-2	1	315.717	0.037	20	50		DCGDML
CC(C)C(=O)[N-][N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F	ZINC001590939465	990974641	/nfs/dbraw/zinc/97/46/41/990974641.db2.gz	VOPBWHNVMAJOSI-UHFFFAOYSA-N	-3	1	322.289	0.629	20	50		DCGDML
Cc1cc(C(=O)[N-]NC(=O)c2ccc(NC(=O)[O-])cc2)n[nH]1	ZINC000829962126	604930677	/nfs/dbraw/zinc/93/06/77/604930677.db2.gz	TTXOZMUARNAYSK-UHFFFAOYSA-N	-2	1	303.278	0.883	20	50		DCGDML