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-])c1cc(S(=O)(=O)Nc2cncnc2)c[nH]1	ZINC000231773266	136961776	/nfs/dbraw/zinc/96/17/76/136961776.db2.gz	CPHXIYNZVUPHMK-UHFFFAOYSA-N	-1	2	268.254	0.304	20	0		CCADLM
CC(C)Oc1ccc(=NC(=O)N(CCO)CC2CC2)[n-]n1	ZINC000346679298	137299159	/nfs/dbraw/zinc/29/91/59/137299159.db2.gz	ZDUUMQVTOCBHDM-UHFFFAOYSA-N	-1	2	294.355	0.922	20	0		CCADLM
O=C(NCCCO[C@H]1CCOC1)c1cccc2[nH]nnc21	ZINC000163660759	350770132	/nfs/dbraw/zinc/77/01/32/350770132.db2.gz	ZAJYVWPQHJVVKJ-JTQLQIEISA-N	-1	2	290.323	0.883	20	0		CCADLM
O=c1nc(C[N@@H+]2CCC[C@H](c3ccncc3)C2)[nH][nH]1	ZINC000295893005	353923269	/nfs/dbraw/zinc/92/32/69/353923269.db2.gz	HYFMWCKPLFOXEV-NSHDSACASA-N	-1	2	259.313	0.873	20	0		CCADLM
Nc1noc(CCN=c2nc(-c3ccccc3)o[n-]2)n1	ZINC000354816440	356505564	/nfs/dbraw/zinc/50/55/64/356505564.db2.gz	HFQBIVYPROCAPI-UHFFFAOYSA-N	-1	2	272.268	0.609	20	0		CCADLM
Nc1cc(C[N@@H+]2CCCC[C@H]2c2nc(=O)[nH][nH]2)ccn1	ZINC000298400948	389015715	/nfs/dbraw/zinc/01/57/15/389015715.db2.gz	FDJIIPLBLOKFDB-JTQLQIEISA-N	-1	2	274.328	0.802	20	0		CCADLM
O=C(NCc1n[nH]c(=O)[nH]1)c1cc(F)cc(Cl)c1[O-]	ZINC000156056893	389323558	/nfs/dbraw/zinc/32/35/58/389323558.db2.gz	NSOGPBAUVVUUBG-UHFFFAOYSA-N	-1	2	286.650	0.526	20	0		CCADLM
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc2[nH]nnc21	ZINC000182748459	389716340	/nfs/dbraw/zinc/71/63/40/389716340.db2.gz	ZGMXQSUOOZWXSV-RKDXNWHRSA-N	-1	2	289.339	0.991	20	0		CCADLM
CCNc1nc(N[C@H](CC)C(=O)[O-])[nH+]c(NC(C)(C)C)n1	ZINC000579451414	390173045	/nfs/dbraw/zinc/17/30/45/390173045.db2.gz	INPYFMQDKNTWPE-MRVPVSSYSA-N	-1	2	296.375	0.633	20	0		CCADLM
COC[C@](C)(CC(=O)[O-])NS(=O)(=O)CC(F)(F)F	ZINC000566853270	390653876	/nfs/dbraw/zinc/65/38/76/390653876.db2.gz	JAJFGTLAARRSFO-ZETCQYMHSA-N	-1	2	293.263	0.348	20	0		CCADLM
CC1(C)CCCC[N@@H+](CC(=O)Nc2nn[nH]n2)C1	ZINC000571408868	390734449	/nfs/dbraw/zinc/73/44/49/390734449.db2.gz	AFQORUWWFKSFLH-UHFFFAOYSA-N	-1	2	252.322	0.650	20	0		CCADLM
Cc1c[nH+]cn1CC(=O)NC1(c2nn[nH]n2)CCCC1	ZINC000528599248	390760047	/nfs/dbraw/zinc/76/00/47/390760047.db2.gz	PCSCDWXLYONMQG-UHFFFAOYSA-N	-1	2	275.316	0.290	20	0		CCADLM
O=C([O-])c1ccc(N2CCO[C@H](C(=O)[O-])C2)[nH+]c1	ZINC000647447846	390817056	/nfs/dbraw/zinc/81/70/56/390817056.db2.gz	BHUFHSLNMDIRCW-QMMMGPOBSA-N	-1	2	252.226	0.070	20	0		CCADLM
C[C@H](CNC(=O)N=c1ncn(C(C)(C)C)[nH]1)C(=O)[O-]	ZINC000653542080	412313693	/nfs/dbraw/zinc/31/36/93/412313693.db2.gz	FQJWOASEIBBJKA-SSDOTTSWSA-N	-1	2	269.305	0.297	20	0		CCADLM
O=C([O-])c1cccc(S(=O)(=O)Nc2cn[nH]c2)c1	ZINC000035732168	172383024	/nfs/dbraw/zinc/38/30/24/172383024.db2.gz	UKKPIEYLWRKYHF-UHFFFAOYSA-N	-1	2	267.266	0.909	20	0		CCADLM
O=C(C[NH2+]C[C@@H]1CCCO1)N=c1cc([C@H]2CCCO2)[nH][nH]1	ZINC000577176229	335316364	/nfs/dbraw/zinc/31/63/64/335316364.db2.gz	QGOBIRNSUWWWKB-CMPLNLGQSA-N	-1	2	294.355	0.390	20	0		CCADLM
CCCC[C@@H](NS(=O)(=O)NCC(F)(F)F)C(=O)[O-]	ZINC000126283691	521103776	/nfs/dbraw/zinc/10/37/76/521103776.db2.gz	NTGSIMNDAPHMET-ZCFIWIBFSA-N	-1	2	292.279	0.616	20	0		CCADLM
Cc1[nH]nc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1O	ZINC000676699602	545348995	/nfs/dbraw/zinc/34/89/95/545348995.db2.gz	OZKHNJYWFDDSAC-NSHDSACASA-N	-1	2	296.371	0.607	20	0		CCADLM
CCOC(=O)[C@@H](C)NC(=O)c1cccc2[nH]nnc21	ZINC000783570259	581350047	/nfs/dbraw/zinc/35/00/47/581350047.db2.gz	JPNIEIOREQUJAU-SSDOTTSWSA-N	-1	2	262.269	0.639	20	0		CCADLM
CCn1cc(S(=O)(=O)Nc2cnccc2C(=O)[O-])cn1	ZINC000737303329	581942711	/nfs/dbraw/zinc/94/27/11/581942711.db2.gz	WVQAUFKKQMEWNA-UHFFFAOYSA-N	-1	2	296.308	0.797	20	0		CCADLM
N=C1NC(=O)C(CC(=O)Nc2cc(C(=O)[O-])cs2)S1	ZINC000833089508	604313061	/nfs/dbraw/zinc/31/30/61/604313061.db2.gz	QAOINKYIWSNZLJ-RXMQYKEDSA-N	-1	2	299.333	0.941	20	0		CCADLM
O=C([O-])Nc1ccc(C(=O)OCc2n[nH]c(=O)[nH]2)cc1	ZINC000834255261	605955637	/nfs/dbraw/zinc/95/56/37/605955637.db2.gz	GVPXXDRTFRHTED-UHFFFAOYSA-N	-1	2	278.224	0.957	20	0		CCADLM
CC(C)[C@@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-]	ZINC000841774151	614129384	/nfs/dbraw/zinc/12/93/84/614129384.db2.gz	BHEXVNLEDRGBCE-NTSWFWBYSA-N	-1	2	277.264	0.966	20	0		CCADLM
C[C@H]1[C@@H](NC(=O)c2ccccc2O)CCC[N@@H+]1CC(N)=O	ZINC000993078487	637685862	/nfs/dbraw/zinc/68/58/62/637685862.db2.gz	ZALDCDHQQKKEJL-JQWIXIFHSA-N	-1	2	291.351	0.460	20	0		CCADLM
NC(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(F)c(O)c(F)c1)C2	ZINC001277565500	805854338	/nfs/dbraw/zinc/85/43/38/805854338.db2.gz	KITLTWJVZMXWDX-AMIZOPFISA-N	-1	2	268.263	0.978	20	0		CCADLM
C[C@@H](CON)Oc1ccc(O[P@@](=O)([O-])O)cc1	ZINC001234337070	806226569	/nfs/dbraw/zinc/22/65/69/806226569.db2.gz	WSNXNXCPUNPMCF-ZETCQYMHSA-N	-1	2	263.186	0.816	20	0		CCADLM
C[C@@H](CON)Oc1ccc(O[P@](=O)([O-])O)cc1	ZINC001234337070	806226577	/nfs/dbraw/zinc/22/65/77/806226577.db2.gz	WSNXNXCPUNPMCF-ZETCQYMHSA-N	-1	2	263.186	0.816	20	0		CCADLM
O=c1[nH][nH]cc1CCCNc1ccc([P@](=O)([O-])O)cc1	ZINC001164395466	802737381	/nfs/dbraw/zinc/73/73/81/802737381.db2.gz	LSBCQYKOHDFKMP-VIFPVBQESA-N	-1	2	297.251	0.414	20	0		CCADLM
O=c1[nH][nH]cc1CCCNc1ccc([P@@](=O)([O-])O)cc1	ZINC001164395466	802737384	/nfs/dbraw/zinc/73/73/84/802737384.db2.gz	LSBCQYKOHDFKMP-VIFPVBQESA-N	-1	2	297.251	0.414	20	0		CCADLM
Cn1cnc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1	ZINC001260391446	808859930	/nfs/dbraw/zinc/85/99/30/808859930.db2.gz	IQTOVLHAPOQTSB-UHFFFAOYSA-N	-1	2	297.292	0.625	20	0		CCADLM
O=C(NCS(=O)(=O)[O-])c1ccc(F)c(F)c1O	ZINC001192810885	845912407	/nfs/dbraw/zinc/91/24/07/845912407.db2.gz	KUVWBBDFVSQUIW-UHFFFAOYSA-N	-1	2	267.209	0.246	20	0		CCADLM
CCOC(=O)CS(=O)(=O)[N-]c1ccc(F)c(F)c1O	ZINC001195977007	846656211	/nfs/dbraw/zinc/65/62/11/846656211.db2.gz	RIUAEILOVHUJQJ-UHFFFAOYSA-N	-1	2	295.263	0.975	20	0		CCADLM
CC[N@H+](Cc1ccncc1)Cc1cc(=O)n2nc(N)[nH]c2n1	ZINC001118746762	856421512	/nfs/dbraw/zinc/42/15/12/856421512.db2.gz	QOBJHXKTMLZLCJ-UHFFFAOYSA-N	-1	2	299.338	0.417	20	0		CCADLM
CN(Cc1nc(=O)o[n-]1)C(=O)c1cc(F)c(O)c(F)c1	ZINC001412287312	901622335	/nfs/dbraw/zinc/62/23/35/901622335.db2.gz	AGMMMSVECMHILJ-UHFFFAOYSA-N	-1	2	285.206	0.619	20	0		CCADLM
O=C(c1cncc(O)c1)N1CCC[C@@H](Cc2nn[n-]n2)C1	ZINC001413567853	903058273	/nfs/dbraw/zinc/05/82/73/903058273.db2.gz	ZYVBZJDLTKPMKR-VIFPVBQESA-N	-1	2	288.311	0.395	20	0		CCADLM
CS(=O)(=O)c1nnc(NC(=O)c2cc(Cl)no2)[n-]1	ZINC001413851997	925658848	/nfs/dbraw/zinc/65/88/48/925658848.db2.gz	OUWZAVABZSSOSX-UHFFFAOYSA-N	-1	2	291.676	0.102	20	0		CCADLM
CS(=O)(=O)c1n[n-]c(NC(=O)c2cc(Cl)no2)n1	ZINC001413851997	925658853	/nfs/dbraw/zinc/65/88/53/925658853.db2.gz	OUWZAVABZSSOSX-UHFFFAOYSA-N	-1	2	291.676	0.102	20	0		CCADLM
O=C(CC[N@@H+]1CC[C@H](F)C1)N1CCC(c2nn[nH]n2)CC1	ZINC001363197460	928967345	/nfs/dbraw/zinc/96/73/45/928967345.db2.gz	SSZJSEMLUGYUFD-NSHDSACASA-N	-1	2	296.350	0.340	20	0		CCADLM
O=C(CC[N@H+]1CC[C@H](F)C1)N1CCC(c2nn[nH]n2)CC1	ZINC001363197460	928967337	/nfs/dbraw/zinc/96/73/37/928967337.db2.gz	SSZJSEMLUGYUFD-NSHDSACASA-N	-1	2	296.350	0.340	20	0		CCADLM
C[C@H](NC(=O)CCCC(=O)[O-])C1=NN(C)CC1=O	ZINC001573611026	959478269	/nfs/dbraw/zinc/47/82/69/959478269.db2.gz	GDTCSGWENQDJPR-ZETCQYMHSA-N	-1	2	255.274	0.558	20	0		CCADLM
C[C@H](NC(=O)CCCC(=O)[O-])c1nn(C)cc1O	ZINC001573611026	959478277	/nfs/dbraw/zinc/47/82/77/959478277.db2.gz	GDTCSGWENQDJPR-ZETCQYMHSA-N	-1	2	255.274	0.558	20	0		CCADLM
C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)C[C@@H]1SC(=N)NC1=O	ZINC001574268340	960605817	/nfs/dbraw/zinc/60/58/17/960605817.db2.gz	NHANBZJMXQQBDU-QYNIQEEDSA-N	-1	2	285.325	0.007	20	0		CCADLM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC001574280051	960636385	/nfs/dbraw/zinc/63/63/85/960636385.db2.gz	DJOFFVIBGRLDLE-RBDZCENOSA-N	-1	2	294.311	0.327	20	0		CCADLM
Cc1n[nH]c(Br)c1C(=O)NCC(=O)[O-]	ZINC001605386385	973356907	/nfs/dbraw/zinc/35/69/07/973356907.db2.gz	VZIGRMYBFJOHKT-UHFFFAOYSA-N	-1	2	262.063	0.295	20	0		CCADLM
CC[C@@H](C(=O)[O-])n1cc(CNC(=O)C(F)(F)F)nn1	ZINC001594775419	981758135	/nfs/dbraw/zinc/75/81/35/981758135.db2.gz	QCGUAELTINLVSD-LURJTMIESA-N	-1	2	280.206	0.492	20	0		CCADLM
Cc1n[nH]c(NC(=O)c2csc(S(C)(=O)=O)c2)n1	ZINC000119485797	349938389	/nfs/dbraw/zinc/93/83/89/349938389.db2.gz	RVSHYWNRFBAGBQ-UHFFFAOYSA-N	-1	2	286.338	0.830	20	0		CCADLM
Cn1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cn1	ZINC000037462805	348189163	/nfs/dbraw/zinc/18/91/63/348189163.db2.gz	HHINRCIRPLVHSI-UHFFFAOYSA-N	-1	2	281.293	0.919	20	0		CCADLM
COc1ccc(=NC(=O)NCC(F)(F)F)[n-]n1	ZINC000346635633	137296550	/nfs/dbraw/zinc/29/65/50/137296550.db2.gz	OXDUELQSXIHGOF-UHFFFAOYSA-N	-1	2	250.180	0.591	20	0		CCADLM
Cn1cc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)cn1	ZINC000087844895	349353901	/nfs/dbraw/zinc/35/39/01/349353901.db2.gz	JSPNUBKXAGBHGN-UHFFFAOYSA-N	-1	2	295.320	0.848	20	0		CCADLM
CCC[C@H](NS(=O)(=O)NCC(F)(F)F)C(=O)[O-]	ZINC000126289742	350142264	/nfs/dbraw/zinc/14/22/64/350142264.db2.gz	GZDKTONSUZLDSA-YFKPBYRVSA-N	-1	2	278.252	0.226	20	0		CCADLM
O=C(c1cc(O)ccc1Cl)N1CC[NH+](CCO)CC1	ZINC000236493573	352195852	/nfs/dbraw/zinc/19/58/52/352195852.db2.gz	QYSORBGKUVTNSV-UHFFFAOYSA-N	-1	2	284.743	0.796	20	0		CCADLM
CC[N@@H+]1CCCC[C@H]1C(=O)Nc1n[nH]c(SCCO)n1	ZINC000155374534	188202325	/nfs/dbraw/zinc/20/23/25/188202325.db2.gz	IOJJSSHEKJFKMI-VIFPVBQESA-N	-1	2	299.400	0.702	20	0		CCADLM
CC[N@H+]1CCCC[C@H]1C(=O)Nc1n[nH]c(SCCO)n1	ZINC000155374534	188202328	/nfs/dbraw/zinc/20/23/28/188202328.db2.gz	IOJJSSHEKJFKMI-VIFPVBQESA-N	-1	2	299.400	0.702	20	0		CCADLM
O=c1[n-]c(SCCCCSc2n[nH]c(=O)[nH]2)n[nH]1	ZINC000446072431	235925893	/nfs/dbraw/zinc/92/58/93/235925893.db2.gz	UULLMXPPRPUUPV-UHFFFAOYSA-N	-1	2	288.358	0.999	20	0		CCADLM
CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2nc(=O)n(C)[nH]2)C1(C)C	ZINC000408151959	357942447	/nfs/dbraw/zinc/94/24/47/357942447.db2.gz	YWHFDXLXPXVLMV-RNCFNFMXSA-N	-1	2	268.361	0.744	20	0		CCADLM
C[C@H]1CN(Cc2ncccc2O)CC[N@@H+]1CCO	ZINC000564302978	291272973	/nfs/dbraw/zinc/27/29/73/291272973.db2.gz	XLVABUAATIBKMM-NSHDSACASA-N	-1	2	251.330	0.286	20	0		CCADLM
Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)n1	ZINC000498118572	241014149	/nfs/dbraw/zinc/01/41/49/241014149.db2.gz	YTSCOHJVCRAXJH-MXWKQRLJSA-N	-1	2	291.355	0.650	20	0		CCADLM
O=C([O-])[C@H]1CCCCN1S(=O)(=O)NCC(F)(F)F	ZINC000037656108	304180412	/nfs/dbraw/zinc/18/04/12/304180412.db2.gz	SUVNDJAGCKZAQI-ZCFIWIBFSA-N	-1	2	290.263	0.322	20	0		CCADLM
O=c1[nH]nc([C@@H]2CCC[N@@H+](CC3(O)CCC3)C2)[nH]1	ZINC000329669732	389185795	/nfs/dbraw/zinc/18/57/95/389185795.db2.gz	SOUJQZVLHZUJRG-SECBINFHSA-N	-1	2	252.318	0.605	20	0		CCADLM
C[C@@H](CNC(=O)N=c1ncn(C(C)(C)C)[nH]1)C(=O)[O-]	ZINC000653542081	412313587	/nfs/dbraw/zinc/31/35/87/412313587.db2.gz	FQJWOASEIBBJKA-ZETCQYMHSA-N	-1	2	269.305	0.297	20	0		CCADLM
O=C([O-])[C@@H]1COCCN1C(=O)c1cc(F)c(O)c(F)c1	ZINC000653558230	412317963	/nfs/dbraw/zinc/31/79/63/412317963.db2.gz	SARGNKQNPUSTAP-VIFPVBQESA-N	-1	2	287.218	0.596	20	0		CCADLM
C[C@H](CNc1cc(NC[C@@H](C)C(=O)[O-])[nH+]cn1)C(=O)[O-]	ZINC000662883222	414866656	/nfs/dbraw/zinc/86/66/56/414866656.db2.gz	MSQKWZWBDBAFAL-HTQZYQBOSA-N	-1	2	282.300	0.742	20	0		CCADLM
CC(C)(C)[C@@H](NC(=O)c1cccc2[nH]nnc21)C(N)=O	ZINC000187801758	544783881	/nfs/dbraw/zinc/78/38/81/544783881.db2.gz	UZBXECQNGCXUIR-JTQLQIEISA-N	-1	2	275.312	0.588	20	0		CCADLM
C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1	ZINC000738996362	581117997	/nfs/dbraw/zinc/11/79/97/581117997.db2.gz	YOHPJEHMHGZFBS-ZCFIWIBFSA-N	-1	2	292.251	0.625	20	0		CCADLM
Cc1ccc2c(n1)[nH]cc(C(=O)NCC(=O)[O-])c2=O	ZINC000740157226	597028836	/nfs/dbraw/zinc/02/88/36/597028836.db2.gz	XPVGDXLPHLUSMX-UHFFFAOYSA-N	-1	2	261.237	0.458	20	0		CCADLM
N=C1NC(=O)[C@@H](CC(=O)N2CCC[C@H](CC(=O)[O-])C2)S1	ZINC000819124788	597092485	/nfs/dbraw/zinc/09/24/85/597092485.db2.gz	RLAUXZFOMBEZNI-HTQZYQBOSA-N	-1	2	299.352	0.256	20	0		CCADLM
O=C([O-])Cn1cc(S(=O)(=O)Nc2cccc(F)c2)cn1	ZINC000035651643	600672830	/nfs/dbraw/zinc/67/28/30/600672830.db2.gz	URRPFXIAZPUBCY-UHFFFAOYSA-N	-1	2	299.283	0.908	20	0		CCADLM
O=C([O-])[C@H]1COCCN1Cc1nc(=O)c2sccc2[nH]1	ZINC000088378930	601560279	/nfs/dbraw/zinc/56/02/79/601560279.db2.gz	XHKFVRGQYBOSBG-MRVPVSSYSA-N	-1	2	295.320	0.270	20	0		CCADLM
O=C([O-])NCC1(C(=O)OCc2n[nH]c(=O)[nH]2)CCCC1	ZINC000834208069	605956469	/nfs/dbraw/zinc/95/64/69/605956469.db2.gz	RVOJBXAJZQWTDX-UHFFFAOYSA-N	-1	2	284.272	0.382	20	0		CCADLM
C/C(=C/C(=O)NO[C@H]1CCCCO1)C[NH+]1CCOCC1	ZINC000900467556	613238809	/nfs/dbraw/zinc/23/88/09/613238809.db2.gz	PIWHAQSQVUEQRG-HCYCVZQXSA-N	-1	2	284.356	0.839	20	0		CCADLM
CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)c1nn[nH]n1	ZINC000912616802	615778330	/nfs/dbraw/zinc/77/83/30/615778330.db2.gz	MSUGDBGOVOVIKA-QMMMGPOBSA-N	-1	2	263.305	0.573	20	0		CCADLM
CCc1nccn1[C@@H](C)CC(=O)N(C)c1nn[nH]n1	ZINC000912616802	615778333	/nfs/dbraw/zinc/77/83/33/615778333.db2.gz	MSUGDBGOVOVIKA-QMMMGPOBSA-N	-1	2	263.305	0.573	20	0		CCADLM
CC[C@](C)(CNC(=O)[O-])C(=O)NCCCc1n[nH]c(=O)[nH]1	ZINC000833841380	615946691	/nfs/dbraw/zinc/94/66/91/615946691.db2.gz	PQRQHFFPEFFUBS-GFCCVEGCSA-N	-1	2	299.331	0.243	20	0		CCADLM
Cn1cnc(CNC(=O)N(CC(=O)[O-])C2CCCC2)c1	ZINC000900308954	633987485	/nfs/dbraw/zinc/98/74/85/633987485.db2.gz	RNBYXIRGFIIKCU-UHFFFAOYSA-N	-1	2	280.328	0.959	20	0		CCADLM
C[C@H](C(F)(F)F)S(=O)(=O)NC1(C(=O)[O-])CCC1	ZINC000800023113	647614960	/nfs/dbraw/zinc/61/49/60/647614960.db2.gz	BCGJKTXNHRSCFH-RXMQYKEDSA-N	-1	2	275.248	0.864	20	0		CCADLM
CC1(C)CN(Cc2ccc(F)c(O)c2)CC[N@@H+]1CC(N)=O	ZINC001236709778	806605266	/nfs/dbraw/zinc/60/52/66/806605266.db2.gz	HRWQWVRFJUYABC-UHFFFAOYSA-N	-1	2	295.358	0.913	20	0		CCADLM
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2nnco2)c1	ZINC001260208781	808855995	/nfs/dbraw/zinc/85/59/95/808855995.db2.gz	XJUGPGQUTLAAEH-UHFFFAOYSA-N	-1	2	287.228	0.708	20	0		CCADLM
O=C([O-])CCC(=O)CNC(=O)c1ccc(O)c(F)c1F	ZINC001192849221	845922146	/nfs/dbraw/zinc/92/21/46/845922146.db2.gz	LKXGOHWDSIREBF-UHFFFAOYSA-N	-1	2	287.218	0.834	20	0		CCADLM
O=C(c1cncc(O)c1)N1CCSC[C@H]1c1nn[n-]n1	ZINC001362688805	928360749	/nfs/dbraw/zinc/36/07/49/928360749.db2.gz	XDIURBHZNWPWDF-VIFPVBQESA-N	-1	2	292.324	0.231	20	0		CCADLM
O=C(c1c(O)cccc1F)N1CCOC[C@@H]1c1nnn[n-]1	ZINC001363116059	928888470	/nfs/dbraw/zinc/88/84/70/928888470.db2.gz	ISTBOYAQHRKURY-MRVPVSSYSA-N	-1	2	293.258	0.258	20	0		CCADLM
O=C([O-])c1cccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])n1	ZINC001595242085	949474558	/nfs/dbraw/zinc/47/45/58/949474558.db2.gz	DNRJYJJWBONUHO-SNVBAGLBSA-N	-1	2	250.254	0.829	20	0		CCADLM
O=C([O-])c1cccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])n1	ZINC001595242085	949474567	/nfs/dbraw/zinc/47/45/67/949474567.db2.gz	DNRJYJJWBONUHO-SNVBAGLBSA-N	-1	2	250.254	0.829	20	0		CCADLM
O=C([O-])COC(=O)c1nn(-c2ccccc2F)cc1O	ZINC001595107361	951885767	/nfs/dbraw/zinc/88/57/67/951885767.db2.gz	RCTBZMZNFIHRMR-UHFFFAOYSA-N	-1	2	280.211	0.958	20	0		CCADLM
O=C([O-])[C@H](C(=O)NOC[C@@H]1CCOC1)C1CCCC1	ZINC001594835383	954023347	/nfs/dbraw/zinc/02/33/47/954023347.db2.gz	GYFGDSLMHSGFSP-KOLCDFICSA-N	-1	2	271.313	0.962	20	0		CCADLM
O=C([O-])C1(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)CC1	ZINC001594871356	954358820	/nfs/dbraw/zinc/35/88/20/954358820.db2.gz	ZDVZWESDIRRFDK-UHFFFAOYSA-N	-1	2	288.263	0.981	20	0		CCADLM
COC(=O)CCCONC(=O)[C@H](C(=O)[O-])C1CC1	ZINC001593834037	955173734	/nfs/dbraw/zinc/17/37/34/955173734.db2.gz	FDPNNOUYFUZIBC-SECBINFHSA-N	-1	2	259.258	0.098	20	0		CCADLM
COC(=O)CCCONC(=O)[C@@H](C(=O)[O-])C1CC1	ZINC001593834038	955175040	/nfs/dbraw/zinc/17/50/40/955175040.db2.gz	FDPNNOUYFUZIBC-VIFPVBQESA-N	-1	2	259.258	0.098	20	0		CCADLM
Cn1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])nc2)cn1	ZINC000128251748	958650932	/nfs/dbraw/zinc/65/09/32/958650932.db2.gz	CSKRUMFAMFKSNL-UHFFFAOYSA-N	-1	2	282.281	0.314	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)n1	ZINC001594441331	959273741	/nfs/dbraw/zinc/27/37/41/959273741.db2.gz	FMORRANUTUEVOJ-CBAPKCEASA-N	-1	2	298.368	0.774	20	0		CCADLM
CC(C)[C@H](C(=O)[O-])C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1	ZINC001588803024	961436308	/nfs/dbraw/zinc/43/63/08/961436308.db2.gz	JAXKYTSUIFERTD-VIFPVBQESA-N	-1	2	296.327	0.573	20	0		CCADLM
CCN(C(=O)C[C@H]1SC(=N)NC1=O)C(C)(C)C(=O)[O-]	ZINC001596134075	983483181	/nfs/dbraw/zinc/48/31/81/983483181.db2.gz	RGBZKTDLAFAOPJ-ZCFIWIBFSA-N	-1	2	287.341	0.255	20	0		CCADLM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)C(F)C(F)(F)F	ZINC001598891663	997004669	/nfs/dbraw/zinc/00/46/69/997004669.db2.gz	RHITUSIMXCJDET-XINAWCOVSA-N	-1	2	289.181	0.409	20	0		CCADLM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H](F)C(F)(F)F	ZINC001598891663	997004681	/nfs/dbraw/zinc/00/46/81/997004681.db2.gz	RHITUSIMXCJDET-XINAWCOVSA-N	-1	2	289.181	0.409	20	0		CCADLM
CCc1nc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cs1	ZINC000192646820	351792495	/nfs/dbraw/zinc/79/24/95/351792495.db2.gz	DBULOFKPBDEAFV-ZDUSSCGKSA-N	-1	2	294.380	0.880	20	0		CCADLM
CCCc1noc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)n1	ZINC000192639784	351792528	/nfs/dbraw/zinc/79/25/28/351792528.db2.gz	FGFJDRSROLKMJH-CYBMUJFWSA-N	-1	2	293.327	0.196	20	0		CCADLM
Cc1cc(=NC(=O)N2CCC[C@H](C(=O)[O-])C2)[nH]nc1C	ZINC000417753339	234002649	/nfs/dbraw/zinc/00/26/49/234002649.db2.gz	OJRWVLGKWCDOST-JTQLQIEISA-N	-1	2	278.312	0.844	20	0		CCADLM
Cc1cc(=NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)[nH]nc1C	ZINC000532324463	358505591	/nfs/dbraw/zinc/50/55/91/358505591.db2.gz	TZSXNJXUZBQOJC-LBPRGKRZSA-N	-1	2	277.372	0.979	20	0		CCADLM
COCCCONC(=O)[C@@H]1CCc2[nH+]ccn2C1	ZINC000367867839	357288581	/nfs/dbraw/zinc/28/85/81/357288581.db2.gz	ZWSDJJWZWJPLGC-SNVBAGLBSA-N	-1	2	253.302	0.530	20	0		CCADLM
O=C([O-])C[C@]1(NS(=O)(=O)CC(F)(F)F)CCOC1	ZINC000571163478	358917653	/nfs/dbraw/zinc/91/76/53/358917653.db2.gz	FWUWAKJDLDQZFE-SSDOTTSWSA-N	-1	2	291.247	0.102	20	0		CCADLM
Cc1nnc([C@H]2CCC[N@@H+](Cc3n[nH]c(=O)[n-]3)C2)[nH]1	ZINC000329336780	202289934	/nfs/dbraw/zinc/28/99/34/202289934.db2.gz	YDURFSQDEXRXEX-QMMMGPOBSA-N	-1	2	263.305	0.316	20	0		CCADLM
O=C([O-])COCCN=c1nc(-c2ccccc2)o[nH]1	ZINC000634964930	372317065	/nfs/dbraw/zinc/31/70/65/372317065.db2.gz	SLMAGVGVQIJGFD-UHFFFAOYSA-N	-1	2	263.253	0.672	20	0		CCADLM
C[C@H]1C[NH2+]CCN1C(=O)c1csc(=NC2CC2)[nH]1	ZINC000637817076	374351682	/nfs/dbraw/zinc/35/16/82/374351682.db2.gz	OTHCUGNQMHTLSD-QMMMGPOBSA-N	-1	2	266.370	0.573	20	0		CCADLM
CC(C)(C)n1cnc(=NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)[nH]1	ZINC000329767377	389197814	/nfs/dbraw/zinc/19/78/14/389197814.db2.gz	ZLFHZZAQPLAUCA-NSHDSACASA-N	-1	2	292.387	0.767	20	0		CCADLM
Cc1cc(=NC(=O)N(C)C[C@H](C)C(=O)[O-])[nH]nc1C	ZINC000417761027	389849240	/nfs/dbraw/zinc/84/92/40/389849240.db2.gz	YMLYPALDOCOLNF-QMMMGPOBSA-N	-1	2	266.301	0.700	20	0		CCADLM
CO[C@H](CS(=O)(=O)N[C@H]1C[NH2+]CCC1(F)F)C1CC1	ZINC000565950786	390561329	/nfs/dbraw/zinc/56/13/29/390561329.db2.gz	JPBIXGOUVXBHMP-ZJUUUORDSA-N	-1	2	298.355	0.328	20	0		CCADLM
O=C([O-])[C@H]1CN(C(=O)c2cc(F)c(O)c(F)c2)CCO1	ZINC000647219559	390791903	/nfs/dbraw/zinc/79/19/03/390791903.db2.gz	MRDJXBRPZOZGPD-SECBINFHSA-N	-1	2	287.218	0.596	20	0		CCADLM
C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CC1)c1nn[nH]n1	ZINC000578394699	390881650	/nfs/dbraw/zinc/88/16/50/390881650.db2.gz	PPIQYTRXNCYKOO-ONGXEEELSA-N	-1	2	278.360	0.388	20	0		CCADLM
C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CC1)c1nn[nH]n1	ZINC000578394699	390881652	/nfs/dbraw/zinc/88/16/52/390881652.db2.gz	PPIQYTRXNCYKOO-ONGXEEELSA-N	-1	2	278.360	0.388	20	0		CCADLM
NS(=O)(=O)C1CC[NH+](Cc2cc(O)cc(F)c2)CC1	ZINC000369052181	144253241	/nfs/dbraw/zinc/25/32/41/144253241.db2.gz	TUXCJZODBXUFHP-UHFFFAOYSA-N	-1	2	288.344	0.784	20	0		CCADLM
C[C@@H](C(F)(F)F)S(=O)(=O)NCC(C)(C)C(=O)[O-]	ZINC000548221238	286017635	/nfs/dbraw/zinc/01/76/35/286017635.db2.gz	SDBWFEQHXQITNR-YFKPBYRVSA-N	-1	2	277.264	0.967	20	0		CCADLM
Cc1ccnc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1	ZINC000020213662	171076484	/nfs/dbraw/zinc/07/64/84/171076484.db2.gz	XEVAQRUXYXISCM-UHFFFAOYSA-N	-1	2	281.293	0.639	20	0		CCADLM
O=C([O-])c1ccc(S(=O)(=O)Nc2nncs2)o1	ZINC000020593440	171263101	/nfs/dbraw/zinc/26/31/01/171263101.db2.gz	FGUHHOJLRQNHGK-UHFFFAOYSA-N	-1	2	275.267	0.630	20	0		CCADLM
CCn1cc(CC[N@H+](C)Cc2n[nH]c(=O)o2)cn1	ZINC000660846044	414504456	/nfs/dbraw/zinc/50/44/56/414504456.db2.gz	WIYCAXHSUMFTCK-UHFFFAOYSA-N	-1	2	251.290	0.666	20	0		CCADLM
C[C@H](C(=O)[O-])N(C)c1cc(N(C)[C@@H](C)C(=O)[O-])nc[nH+]1	ZINC000662877482	414864635	/nfs/dbraw/zinc/86/46/35/414864635.db2.gz	DAURIYLNVJUUEH-OCAPTIKFSA-N	-1	2	282.300	0.295	20	0		CCADLM
C[C@H](C(=O)[O-])N(C)c1cc(N(C)[C@@H](C)C(=O)[O-])[nH+]cn1	ZINC000662877482	414864637	/nfs/dbraw/zinc/86/46/37/414864637.db2.gz	DAURIYLNVJUUEH-OCAPTIKFSA-N	-1	2	282.300	0.295	20	0		CCADLM
C[C@@H](CNc1cc(NC[C@H](C)C(=O)[O-])[nH+]cn1)C(=O)[O-]	ZINC000662883227	414866561	/nfs/dbraw/zinc/86/65/61/414866561.db2.gz	MSQKWZWBDBAFAL-YUMQZZPRSA-N	-1	2	282.300	0.742	20	0		CCADLM
O=C([O-])c1ccc[nH+]c1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000662885436	414869443	/nfs/dbraw/zinc/86/94/43/414869443.db2.gz	FPHYCYUXXXPEEJ-AMIZOPFISA-N	-1	2	278.264	0.317	20	0		CCADLM
O=C([O-])c1ccc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)[nH+]c1	ZINC000662899948	414880131	/nfs/dbraw/zinc/88/01/31/414880131.db2.gz	ZUJGPKWNYJHLKY-YIZRAAEISA-N	-1	2	266.253	0.416	20	0		CCADLM
O=C(NCC[N@H+]1CCCOCC1)c1ccc(O)c(F)c1	ZINC000682170897	545474509	/nfs/dbraw/zinc/47/45/09/545474509.db2.gz	AYJBIUFMUWEINW-UHFFFAOYSA-N	-1	2	282.315	0.983	20	0		CCADLM
O=C([O-])Cn1ccc(NS(=O)(=O)c2ccc(F)cc2)n1	ZINC000739920406	581635009	/nfs/dbraw/zinc/63/50/09/581635009.db2.gz	NONSFSSAFLSRAM-UHFFFAOYSA-N	-1	2	299.283	0.908	20	0		CCADLM
O=C(C[N@@H+]1CCO[C@@H](C(=O)[O-])C1)[N-]OCc1ccccc1	ZINC000821383543	598162157	/nfs/dbraw/zinc/16/21/57/598162157.db2.gz	SZKLRZXHCPDEGA-GFCCVEGCSA-N	-1	2	294.307	0.020	20	0		CCADLM
O=C(C[N@H+]1CCO[C@@H](C(=O)[O-])C1)[N-]OCc1ccccc1	ZINC000821383543	598162158	/nfs/dbraw/zinc/16/21/58/598162158.db2.gz	SZKLRZXHCPDEGA-GFCCVEGCSA-N	-1	2	294.307	0.020	20	0		CCADLM
C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCc1n[nH]c(=O)[nH]1	ZINC000833832453	606062287	/nfs/dbraw/zinc/06/22/87/606062287.db2.gz	WDVREWHZLBPQSB-MADCSZMMSA-N	-1	2	297.315	0.343	20	0		CCADLM
CCn1nccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000830452535	615727453	/nfs/dbraw/zinc/72/74/53/615727453.db2.gz	ZSOAHEGEZGHVDX-UHFFFAOYSA-N	-1	2	284.297	0.730	20	0		CCADLM
CNC(=O)[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)C(C)C	ZINC000821631294	616868976	/nfs/dbraw/zinc/86/89/76/616868976.db2.gz	DYGFEUIKWWMKHC-SNVBAGLBSA-N	-1	2	278.316	0.320	20	0		CCADLM
O=[P@@]([O-])(O)Oc1ccc(OC[C@@H]2COCCO2)cc1	ZINC001234333520	806224079	/nfs/dbraw/zinc/22/40/79/806224079.db2.gz	WYSOIECGNDXCPA-NSHDSACASA-N	-1	2	290.208	0.952	20	0		CCADLM
O=[P@]([O-])(O)Oc1ccc(OC[C@@H]2COCCO2)cc1	ZINC001234333520	806224085	/nfs/dbraw/zinc/22/40/85/806224085.db2.gz	WYSOIECGNDXCPA-NSHDSACASA-N	-1	2	290.208	0.952	20	0		CCADLM
Cn1cc(CNc2ccc([P@@](=O)([O-])O)cc2)cn1	ZINC001161856765	802233069	/nfs/dbraw/zinc/23/30/69/802233069.db2.gz	GKFLMIRNEJPZAS-UHFFFAOYSA-N	-1	2	267.225	0.835	20	0		CCADLM
Cn1cc(CNc2ccc([P@](=O)([O-])O)cc2)cn1	ZINC001161856765	802233077	/nfs/dbraw/zinc/23/30/77/802233077.db2.gz	GKFLMIRNEJPZAS-UHFFFAOYSA-N	-1	2	267.225	0.835	20	0		CCADLM
Cn1nc(NS(=O)(=O)C[C@@H]2CCCO2)cc1C(=O)[O-]	ZINC000725221039	811275649	/nfs/dbraw/zinc/27/56/49/811275649.db2.gz	QFVXVDBCJKPWDQ-ZETCQYMHSA-N	-1	2	289.313	0.039	20	0		CCADLM
CCc1nc(C[N@@H+]2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])n[nH]1	ZINC001119540158	856727271	/nfs/dbraw/zinc/72/72/71/856727271.db2.gz	GHCLAKKDLLAXSQ-RNSXUZJQSA-N	-1	2	250.302	0.520	20	0		CCADLM
CCC(=O)NC[C@H](CC)[NH2+]Cc1cc(=O)n2[nH]ccc2n1	ZINC001481780799	893149572	/nfs/dbraw/zinc/14/95/72/893149572.db2.gz	MYVRLQSPVCNFFH-JTQLQIEISA-N	-1	2	291.355	0.417	20	0		CCADLM
CC(C)C(=O)N(C)CCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1	ZINC001484733851	896574497	/nfs/dbraw/zinc/57/44/97/896574497.db2.gz	QXPHIQZIRWZLID-UHFFFAOYSA-N	-1	2	283.376	0.045	20	0		CCADLM
O=c1[nH]c(C[N@H+]2CCC[C@H]2CO)nc2c1COCC2	ZINC001333394140	918864142	/nfs/dbraw/zinc/86/41/42/918864142.db2.gz	PVXNXZMYNKSSPQ-VIFPVBQESA-N	-1	2	265.313	0.212	20	0		CCADLM
CC(C)OCc1noc(C[N@@H+]2CC[C@H](c3nn[nH]n3)C2)n1	ZINC001363293864	929087926	/nfs/dbraw/zinc/08/79/26/929087926.db2.gz	ZKQRDPAXABYJCL-VIFPVBQESA-N	-1	2	293.331	0.497	20	0		CCADLM
CC(C)OCc1noc(C[N@H+]2CC[C@H](c3nn[nH]n3)C2)n1	ZINC001363293864	929087934	/nfs/dbraw/zinc/08/79/34/929087934.db2.gz	ZKQRDPAXABYJCL-VIFPVBQESA-N	-1	2	293.331	0.497	20	0		CCADLM
O=C([O-])c1ccc(C(=O)NCc2nc(O)cc(=O)[nH]2)cc1	ZINC001602323557	971180628	/nfs/dbraw/zinc/18/06/28/971180628.db2.gz	JHIDGSFIPHFODF-UHFFFAOYSA-N	-1	2	289.247	0.516	20	0		CCADLM
Cc1cc(NS(=O)(=O)c2cnn(C)c2C)c(C(=O)[O-])[nH]1	ZINC000380650130	971711814	/nfs/dbraw/zinc/71/18/14/971711814.db2.gz	PURCEWXLHGWZHV-UHFFFAOYSA-N	-1	2	298.324	0.864	20	0		CCADLM
CC(C)[C@H](C(=O)[O-])C(=O)NOCc1ccccn1	ZINC001588808165	961493185	/nfs/dbraw/zinc/49/31/85/961493185.db2.gz	LWMWMCBKIDGEJF-JTQLQIEISA-N	-1	2	252.270	0.986	20	0		CCADLM
CC[C@H](C(=O)[O-])n1cc(CNC(=O)C(F)(F)F)nn1	ZINC001594775420	981758288	/nfs/dbraw/zinc/75/82/88/981758288.db2.gz	QCGUAELTINLVSD-ZCFIWIBFSA-N	-1	2	280.206	0.492	20	0		CCADLM
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1nc(=O)[nH][nH]1	ZINC000113438342	349811461	/nfs/dbraw/zinc/81/14/61/349811461.db2.gz	FNVDCSHAKPTQQB-SECBINFHSA-N	-1	2	267.333	0.092	20	0		CCADLM
Cn1ccc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1	ZINC000037560129	348190213	/nfs/dbraw/zinc/19/02/13/348190213.db2.gz	BIQUDBYVLDLZBU-UHFFFAOYSA-N	-1	2	295.320	0.848	20	0		CCADLM
COCCC(C)(C)NC(=O)N=c1ccc(OC)n[n-]1	ZINC000346683228	137299059	/nfs/dbraw/zinc/29/90/59/137299059.db2.gz	PVEGTHLKLVQXSA-UHFFFAOYSA-N	-1	2	268.317	0.844	20	0		CCADLM
CC[C@H](C)NC(=O)CCNC(=O)N=c1ccc(OC)n[n-]1	ZINC000346682729	137299201	/nfs/dbraw/zinc/29/92/01/137299201.db2.gz	NTYXKJFLHSIUFO-VIFPVBQESA-N	-1	2	295.343	0.333	20	0		CCADLM
Cc1ccc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])cn1	ZINC000556800246	291007866	/nfs/dbraw/zinc/00/78/66/291007866.db2.gz	WGRXVYRXBMVIJY-UHFFFAOYSA-N	-1	2	296.308	0.623	20	0		CCADLM
C[C@H](C(=O)N=c1cc2ccccn2[nH]1)N1CC[NH+](C)CC1	ZINC000557529385	291035300	/nfs/dbraw/zinc/03/53/00/291035300.db2.gz	HMSDAPBMSHKBRF-GFCCVEGCSA-N	-1	2	287.367	0.331	20	0		CCADLM
C[C@H]1CCCN(C(=O)CCc2ncn[nH]2)[C@H]1C(=O)[O-]	ZINC000424270941	235190355	/nfs/dbraw/zinc/19/03/55/235190355.db2.gz	YDNFOQICCZDGJW-GZMMTYOYSA-N	-1	2	266.301	0.449	20	0		CCADLM
CC(=O)N[C@H]1C(C)=NN(c2cccc(C(=O)[O-])c2C)C1=O	ZINC000634632863	372108454	/nfs/dbraw/zinc/10/84/54/372108454.db2.gz	CPJWFHZRZPZEEG-LBPRGKRZSA-N	-1	2	289.291	0.920	20	0		CCADLM
Cn1cc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1	ZINC000035737961	388837653	/nfs/dbraw/zinc/83/76/53/388837653.db2.gz	RDAZIBLPNZFOJA-UHFFFAOYSA-N	-1	2	270.270	0.247	20	0		CCADLM
CCNC(=O)C(C)(C)CNC(=O)c1cccc2[nH]nnc21	ZINC000188592262	388934573	/nfs/dbraw/zinc/93/45/73/388934573.db2.gz	BIMNQLXRRQXQEI-UHFFFAOYSA-N	-1	2	289.339	0.850	20	0		CCADLM
NC(=O)c1ccc(CNC(=O)c2cccc3[nH]nnc32)cc1	ZINC000189583358	388965345	/nfs/dbraw/zinc/96/53/45/388965345.db2.gz	IAPFRNFFVROBPC-UHFFFAOYSA-N	-1	2	295.302	0.987	20	0		CCADLM
Cc1cc(=NC(=O)NC[C@H](C(=O)[O-])C(C)C)[nH]nc1C	ZINC000653538849	412312445	/nfs/dbraw/zinc/31/24/45/412312445.db2.gz	KLZPDNLWHVYEPC-JTQLQIEISA-N	-1	2	280.328	0.994	20	0		CCADLM
CO[C@H](CNS(=O)(=O)[C@@H](C)C(F)(F)F)CC(=O)[O-]	ZINC000530542073	545101866	/nfs/dbraw/zinc/10/18/66/545101866.db2.gz	AAVJJIRFSPUEHM-WDSKDSINSA-N	-1	2	293.263	0.346	20	0		CCADLM
O=C([O-])NC[C@H](NC(=O)C1=NNC(=O)C1)C1CCCCC1	ZINC000740603464	581700813	/nfs/dbraw/zinc/70/08/13/581700813.db2.gz	PEWSBCZPTOKCFM-JTQLQIEISA-N	-1	2	296.327	0.195	20	0		CCADLM
O=C([N-]C1(c2nn[nH]n2)CCCC1)C(F)(F)C(F)F	ZINC000749392888	582006669	/nfs/dbraw/zinc/00/66/69/582006669.db2.gz	JAEDYACPFRZBON-UHFFFAOYSA-N	-1	2	281.213	0.986	20	0		CCADLM
Cc1n[nH]c(NC(=O)C2CCN(C(=O)[O-])CC2)n1	ZINC000738361655	582039150	/nfs/dbraw/zinc/03/91/50/582039150.db2.gz	UCRYAITXGRHONP-UHFFFAOYSA-N	-1	2	253.262	0.442	20	0		CCADLM
Cn1nccc1S(=O)(=O)Nc1ccccc1CC(=O)[O-]	ZINC000124131982	597312226	/nfs/dbraw/zinc/31/22/26/597312226.db2.gz	KYRXVPWRPPHMSK-UHFFFAOYSA-N	-1	2	295.320	0.848	20	0		CCADLM
O=C([O-])CNC(=O)COC(=O)c1cc(-c2ccco2)n[nH]1	ZINC000821532757	597832469	/nfs/dbraw/zinc/83/24/69/597832469.db2.gz	WYWCJUPMIPPSKG-UHFFFAOYSA-N	-1	2	293.235	0.027	20	0		CCADLM
Cn1cc(S(=O)(=O)Nc2ccnn2C)cc1C(=O)[O-]	ZINC000044593604	600827106	/nfs/dbraw/zinc/82/71/06/600827106.db2.gz	RGSUQSKNGGAHBT-UHFFFAOYSA-N	-1	2	284.297	0.258	20	0		CCADLM
Cc1n[nH]c(C)c1S(=O)(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000832991880	601784638	/nfs/dbraw/zinc/78/46/38/601784638.db2.gz	RGQCKRFSCCHTTQ-UHFFFAOYSA-N	-1	2	298.324	0.864	20	0		CCADLM
O=C([O-])Nc1ccc(CC(=O)NCc2n[nH]c(=O)[nH]2)cc1	ZINC000832841650	603954870	/nfs/dbraw/zinc/95/48/70/603954870.db2.gz	IYSNXBAJQMQLDL-UHFFFAOYSA-N	-1	2	291.267	0.459	20	0		CCADLM
CC[C@H](C(=O)N[C@@H](c1nn[nH]n1)c1ccccc1)[NH+](C)C	ZINC000913438685	615608639	/nfs/dbraw/zinc/60/86/39/615608639.db2.gz	VLTQEEZXZUSKKA-VXGBXAGGSA-N	-1	2	288.355	0.746	20	0		CCADLM
CCc1cc(=O)[nH]c(C[N@@H+]2CCC(OC)(OC)[C@@H](O)C2)n1	ZINC000931635208	615659190	/nfs/dbraw/zinc/65/91/90/615659190.db2.gz	SUOIXTDWGBYRCS-NSHDSACASA-N	-1	2	297.355	0.300	20	0		CCADLM
C[C@@H](NC(=O)c1ccc(F)cc1O)[C@H]1C[N@@H+](C)CCN1C	ZINC000896552004	632283139	/nfs/dbraw/zinc/28/31/39/632283139.db2.gz	IPCMNSIPDUBWFH-ZWNOBZJWSA-N	-1	2	295.358	0.895	20	0		CCADLM
CC[C@@H](O)C(=O)Oc1ccc(O[P@@](=O)([O-])O)cc1	ZINC001234331801	806224119	/nfs/dbraw/zinc/22/41/19/806224119.db2.gz	KCXUAOHLNPPXSA-SECBINFHSA-N	-1	2	276.181	0.834	20	0		CCADLM
CC[C@@H](O)C(=O)Oc1ccc(O[P@](=O)([O-])O)cc1	ZINC001234331801	806224124	/nfs/dbraw/zinc/22/41/24/806224124.db2.gz	KCXUAOHLNPPXSA-SECBINFHSA-N	-1	2	276.181	0.834	20	0		CCADLM
CCC[C@H](NC(=O)C(=O)c1ccc(O)cc1)c1nn[n-]n1	ZINC001149123414	800233956	/nfs/dbraw/zinc/23/39/56/800233956.db2.gz	ZCOKHXJJJXVQHY-JTQLQIEISA-N	-1	2	289.295	0.746	20	0		CCADLM
C[C@@H](CN(C)C(=O)C(=O)c1ccc(O)cc1)c1nn[n-]n1	ZINC001153674767	800651288	/nfs/dbraw/zinc/65/12/88/800651288.db2.gz	DSMHZEWWHIFBMZ-QMMMGPOBSA-N	-1	2	289.295	0.350	20	0		CCADLM
O=C(CNc1ccc([P@](=O)([O-])O)cc1)N1CCCC1	ZINC001164585448	802770636	/nfs/dbraw/zinc/77/06/36/802770636.db2.gz	ZDMHOJSOROOMQW-UHFFFAOYSA-N	-1	2	284.252	0.524	20	0		CCADLM
O=C(CNc1ccc([P@@](=O)([O-])O)cc1)N1CCCC1	ZINC001164585448	802770640	/nfs/dbraw/zinc/77/06/40/802770640.db2.gz	ZDMHOJSOROOMQW-UHFFFAOYSA-N	-1	2	284.252	0.524	20	0		CCADLM
CC(=O)N1CC(Nc2ccc([P@@](=O)([O-])O)cc2)C1	ZINC001171082057	839854947	/nfs/dbraw/zinc/85/49/47/839854947.db2.gz	PMMNYOGPTVRPCO-UHFFFAOYSA-N	-1	2	270.225	0.132	20	0		CCADLM
CC(=O)N1CC(Nc2ccc([P@](=O)([O-])O)cc2)C1	ZINC001171082057	839854951	/nfs/dbraw/zinc/85/49/51/839854951.db2.gz	PMMNYOGPTVRPCO-UHFFFAOYSA-N	-1	2	270.225	0.132	20	0		CCADLM
O=C([O-])c1ccccc1CC(=O)NCc1n[nH]c(=O)[nH]1	ZINC000392419369	951421526	/nfs/dbraw/zinc/42/15/26/951421526.db2.gz	DXNFVSXXSNCKDN-UHFFFAOYSA-N	-1	2	276.252	0.067	20	0		CCADLM
C[C@@H]1CN(C(=O)C[C@H]2SC(=N)NC2=O)CC[C@H]1C(=O)[O-]	ZINC001589373583	954227314	/nfs/dbraw/zinc/22/73/14/954227314.db2.gz	VOZDYGJRQNJNPS-BWZBUEFSSA-N	-1	2	299.352	0.112	20	0		CCADLM
N=C1NC(=O)[C@H](CC(=O)N2CCCC[C@H]2CC(=O)[O-])S1	ZINC001594654620	956496645	/nfs/dbraw/zinc/49/66/45/956496645.db2.gz	UCFAUNVMFHUUNB-YUMQZZPRSA-N	-1	2	299.352	0.399	20	0		CCADLM
C[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1nn(C)cc1O	ZINC001573622226	959518262	/nfs/dbraw/zinc/51/82/62/959518262.db2.gz	GKJJGTXFQLHYAQ-XLPZGREQSA-N	-1	2	267.285	0.414	20	0		CCADLM
C[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])C1=NN(C)CC1=O	ZINC001573622226	959518245	/nfs/dbraw/zinc/51/82/45/959518245.db2.gz	GKJJGTXFQLHYAQ-XLPZGREQSA-N	-1	2	267.285	0.414	20	0		CCADLM
C[C@H](NS(=O)(=O)c1onc(C2CC2)c1Cl)C(=O)[O-]	ZINC001594241814	959538353	/nfs/dbraw/zinc/53/83/53/959538353.db2.gz	UCYSVRLXWAPAGZ-BYPYZUCNSA-N	-1	2	294.716	0.957	20	0		CCADLM
CC(C)(C)[C@@H](C(=O)[O-])C(=O)NOC[C@H]1CCOC1	ZINC001588634337	959635496	/nfs/dbraw/zinc/63/54/96/959635496.db2.gz	PBGCBHJPFVMIHF-DTWKUNHWSA-N	-1	2	259.302	0.818	20	0		CCADLM
C[C@H](NCc1n[nH]c(=O)[nH]1)c1ncc(C(=O)[O-])s1	ZINC000315378557	963892808	/nfs/dbraw/zinc/89/28/08/963892808.db2.gz	SEHRAFYRQBYGJJ-BYPYZUCNSA-N	-1	2	269.286	0.104	20	0		CCADLM
CC[C@H](C)NC(=O)[C@H](C)[N@H+](CCC(=O)[O-])CC(=O)[O-]	ZINC001594986187	982810148	/nfs/dbraw/zinc/81/01/48/982810148.db2.gz	BCZYPOXORINNHL-IUCAKERBSA-N	-1	2	274.317	0.151	20	0		CCADLM
CC[C@H](C)NC(=O)[C@H](C)[N@@H+](CCC(=O)[O-])CC(=O)[O-]	ZINC001594986187	982810156	/nfs/dbraw/zinc/81/01/56/982810156.db2.gz	BCZYPOXORINNHL-IUCAKERBSA-N	-1	2	274.317	0.151	20	0		CCADLM
C[C@@H](C(=O)NC(C)(C)C)[N@H+](CCC(=O)[O-])CC(=O)[O-]	ZINC001589378212	986440636	/nfs/dbraw/zinc/44/06/36/986440636.db2.gz	FHLCBZJDAQXFSE-QMMMGPOBSA-N	-1	2	274.317	0.151	20	0		CCADLM
C[C@@H](C(=O)NC(C)(C)C)[N@@H+](CCC(=O)[O-])CC(=O)[O-]	ZINC001589378212	986440639	/nfs/dbraw/zinc/44/06/39/986440639.db2.gz	FHLCBZJDAQXFSE-QMMMGPOBSA-N	-1	2	274.317	0.151	20	0		CCADLM
COc1ccc(=NC(=O)N(C)C[C@H](O)C(F)(F)F)[n-]n1	ZINC000346641555	137296276	/nfs/dbraw/zinc/29/62/76/137296276.db2.gz	VTQVSTVIIGWOLE-LURJTMIESA-N	-1	2	294.233	0.294	20	0		CCADLM
COCC[C@@H](CO)NC(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000346678465	137299151	/nfs/dbraw/zinc/29/91/51/137299151.db2.gz	YHPVRLIMUHAZQV-JTQLQIEISA-N	-1	2	298.343	0.205	20	0		CCADLM
CCc1noc([C@H](C)[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)n1	ZINC000192652432	351792673	/nfs/dbraw/zinc/79/26/73/351792673.db2.gz	HIYMGRPAZWYJGA-ISVAXAHUSA-N	-1	2	293.327	0.367	20	0		CCADLM
CCc1nc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cs1	ZINC000192646807	351792853	/nfs/dbraw/zinc/79/28/53/351792853.db2.gz	DBULOFKPBDEAFV-CYBMUJFWSA-N	-1	2	294.380	0.880	20	0		CCADLM
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cn(C)nn1	ZINC000359559296	356843692	/nfs/dbraw/zinc/84/36/92/356843692.db2.gz	ILRIPWFBJIXHFI-UHFFFAOYSA-N	-1	2	296.308	0.623	20	0		CCADLM
O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc(=O)[nH]cn1	ZINC000626213054	368490541	/nfs/dbraw/zinc/49/05/41/368490541.db2.gz	HLCXSGTXXJZFCJ-ZETCQYMHSA-N	-1	2	259.269	0.193	20	0		CCADLM
O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc(=O)[nH]cn1	ZINC000626213054	368490543	/nfs/dbraw/zinc/49/05/43/368490543.db2.gz	HLCXSGTXXJZFCJ-ZETCQYMHSA-N	-1	2	259.269	0.193	20	0		CCADLM
O=C(N[C@@H](CO)CC(F)F)c1cccc2[nH]nnc21	ZINC000574350593	335012914	/nfs/dbraw/zinc/01/29/14/335012914.db2.gz	GPQLNOZODUYADS-ZCFIWIBFSA-N	-1	2	270.239	0.704	20	0		CCADLM
CC(C)n1cnc(S(=O)(=O)NCC[NH+]2CCC2)c1	ZINC000338229914	389094877	/nfs/dbraw/zinc/09/48/77/389094877.db2.gz	HUZVAWHXUVYBLG-UHFFFAOYSA-N	-1	2	272.374	0.448	20	0		CCADLM
O=C([O-])[C@H](CC1CC1)NS(=O)(=O)CC(F)(F)F	ZINC000583261275	390277653	/nfs/dbraw/zinc/27/76/53/390277653.db2.gz	JJHPLHAHBYILRS-LURJTMIESA-N	-1	2	275.248	0.721	20	0		CCADLM
COCC[C@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-]	ZINC000547878934	390406641	/nfs/dbraw/zinc/40/66/41/390406641.db2.gz	ACIAPCFTLJNRDE-WDSKDSINSA-N	-1	2	293.263	0.346	20	0		CCADLM
CC[N@@H+]1CCO[C@@H](c2nc(-c3cc(=O)[nH]cn3)no2)C1	ZINC000565892742	390555760	/nfs/dbraw/zinc/55/57/60/390555760.db2.gz	UTMULGBWUYJVHP-SECBINFHSA-N	-1	2	277.284	0.625	20	0		CCADLM
O=c1cc(C[N@H+]2CC[C@H](O)C23CCCC3)nc2cc[nH]n21	ZINC000578400786	390881503	/nfs/dbraw/zinc/88/15/03/390881503.db2.gz	UKTZCVRBDNXWHL-LBPRGKRZSA-N	-1	2	288.351	0.902	20	0		CCADLM
O=C([O-])c1ccc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[nH+]c1	ZINC000662886235	414869913	/nfs/dbraw/zinc/86/99/13/414869913.db2.gz	VFMMMGJYLNSQDA-NOZJJQNGSA-N	-1	2	278.264	0.317	20	0		CCADLM
C[C@@H](NC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1)C(=O)[O-]	ZINC000737683773	581107868	/nfs/dbraw/zinc/10/78/68/581107868.db2.gz	KTHONEIQDLANEI-ZCFIWIBFSA-N	-1	2	277.236	0.233	20	0		CCADLM
N=C1NC(=O)[C@@H](CC(=O)N2CCCC[C@@H]2C(=O)[O-])S1	ZINC000821357145	601744159	/nfs/dbraw/zinc/74/41/59/601744159.db2.gz	JUMXTHFQDRMTLO-RNFRBKRXSA-N	-1	2	285.325	0.009	20	0		CCADLM
Cn1nccc1S(=O)(=O)Nc1csnc1C(=O)[O-]	ZINC000833061552	602155668	/nfs/dbraw/zinc/15/56/68/602155668.db2.gz	IKUVBYLTSVQVNJ-UHFFFAOYSA-N	-1	2	288.310	0.376	20	0		CCADLM
O=C([O-])c1cc(NC(=O)NCc2n[nH]c(=O)[nH]2)ccc1F	ZINC000392412697	602362903	/nfs/dbraw/zinc/36/29/03/602362903.db2.gz	RTGUUOXDQNOHQB-UHFFFAOYSA-N	-1	2	295.230	0.669	20	0		CCADLM
Cc1n[nH]c(SCC(=O)NC[C@H]2CCCN2C(=O)[O-])n1	ZINC000830677481	603771957	/nfs/dbraw/zinc/77/19/57/603771957.db2.gz	GVMCGSIPJLVKKP-MRVPVSSYSA-N	-1	2	299.356	0.464	20	0		CCADLM
O=C([O-])NCc1ccc(C(=O)NN2CCCNC2=O)o1	ZINC000834248835	605692465	/nfs/dbraw/zinc/69/24/65/605692465.db2.gz	JQDVZTRAQZHPKY-UHFFFAOYSA-N	-1	2	282.256	0.107	20	0		CCADLM
C[C@@]1(C(=O)OCc2n[nH]c(=O)[nH]2)CCCN(C(=O)[O-])C1	ZINC000833822542	605955554	/nfs/dbraw/zinc/95/55/54/605955554.db2.gz	OBSZOAWAZLYXGC-LLVKDONJSA-N	-1	2	284.272	0.334	20	0		CCADLM
O=C([O-])Nc1cccc(CC(=O)OCc2n[nH]c(=O)[nH]2)c1	ZINC000834268029	605956507	/nfs/dbraw/zinc/95/65/07/605956507.db2.gz	APOINMQPAKYQSU-UHFFFAOYSA-N	-1	2	292.251	0.886	20	0		CCADLM
COC(C)(C)CS(=O)(=O)NCC(F)(F)C(=O)[O-]	ZINC000905999992	616297679	/nfs/dbraw/zinc/29/76/79/616297679.db2.gz	QQMFOHJKVADDMG-UHFFFAOYSA-N	-1	2	275.273	0.051	20	0		CCADLM
C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2O)C1	ZINC001006768922	631078930	/nfs/dbraw/zinc/07/89/30/631078930.db2.gz	YRKHFLAXJXOOTC-WDEREUQCSA-N	-1	2	291.351	0.460	20	0		CCADLM
Cn1cnc(CNC(=O)N2CCSC[C@@H]2C(=O)[O-])c1	ZINC000900307453	633987615	/nfs/dbraw/zinc/98/76/15/633987615.db2.gz	ZQOVNGUEGNJUPW-SECBINFHSA-N	-1	2	284.341	0.132	20	0		CCADLM
O=C(CSc1n[nH]c(=O)[n-]1)NOCC1CCC1	ZINC000856349728	644411590	/nfs/dbraw/zinc/41/15/90/644411590.db2.gz	CCNRCQGXWQUTJQ-UHFFFAOYSA-N	-1	2	258.303	0.450	20	0		CCADLM
Cn1[nH]c(C[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)nc1=O	ZINC000934771669	649190155	/nfs/dbraw/zinc/19/01/55/649190155.db2.gz	WBFXYVBWRUYWCX-KCJUWKMLSA-N	-1	2	254.359	0.293	20	0		CCADLM
O=C([O-])c1cccc(S(=O)(=O)Nc2nnco2)c1	ZINC001260182604	808856145	/nfs/dbraw/zinc/85/61/45/808856145.db2.gz	JOMDMZGWBKJQSB-UHFFFAOYSA-N	-1	2	269.238	0.569	20	0		CCADLM
CNC(=O)[C@H](C)Nc1ccc([P@@](=O)([O-])O)cc1	ZINC001169985434	836631968	/nfs/dbraw/zinc/63/19/68/836631968.db2.gz	QSSYSKFXUWQUSG-ZETCQYMHSA-N	-1	2	258.214	0.036	20	0		CCADLM
CNC(=O)[C@H](C)Nc1ccc([P@](=O)([O-])O)cc1	ZINC001169985434	836631972	/nfs/dbraw/zinc/63/19/72/836631972.db2.gz	QSSYSKFXUWQUSG-ZETCQYMHSA-N	-1	2	258.214	0.036	20	0		CCADLM
O=C([O-])C1(C(=O)NCc2n[nH]c(=O)[nH]2)CCCCC1	ZINC001180438608	843166648	/nfs/dbraw/zinc/16/66/48/843166648.db2.gz	JPUIINOHBCJRNJ-UHFFFAOYSA-N	-1	2	268.273	0.162	20	0		CCADLM
O=C([O-])CCc1ccc(S(=O)(=O)Nc2nnco2)cc1	ZINC001192100070	845786939	/nfs/dbraw/zinc/78/69/39/845786939.db2.gz	JSBBWFIDCHBPBE-UHFFFAOYSA-N	-1	2	297.292	0.888	20	0		CCADLM
O=C(NCc1n[nH]c(=O)[nH]1)c1ccc(F)c(F)c1[O-]	ZINC001192810500	845912773	/nfs/dbraw/zinc/91/27/73/845912773.db2.gz	HWCJOLRNEUXCBZ-UHFFFAOYSA-N	-1	2	270.195	0.424	20	0		CCADLM
O=C(NCc1nn[nH]n1)c1c[nH+]ccc1N1CCCC1	ZINC001199374054	847311236	/nfs/dbraw/zinc/31/12/36/847311236.db2.gz	YPLIRNJSKHLQGR-UHFFFAOYSA-N	-1	2	273.300	0.125	20	0		CCADLM
C[C@@H](NC(=O)[C@H](C(=O)[O-])C1CC1)C1=NN(C)CC1=O	ZINC001589088258	955916030	/nfs/dbraw/zinc/91/60/30/955916030.db2.gz	MWSZBOXNRZFGIK-HZGVNTEJSA-N	-1	2	267.285	0.414	20	0		CCADLM
C[C@@H](NC(=O)[C@H](C(=O)[O-])C1CC1)c1nn(C)cc1O	ZINC001589088258	955916034	/nfs/dbraw/zinc/91/60/34/955916034.db2.gz	MWSZBOXNRZFGIK-HZGVNTEJSA-N	-1	2	267.285	0.414	20	0		CCADLM
Cc1nnc(NS(=O)(=O)c2csc(C(=O)[O-])c2)o1	ZINC000127695277	958621557	/nfs/dbraw/zinc/62/15/57/958621557.db2.gz	PYKQDBMDJAPMOI-UHFFFAOYSA-N	-1	2	289.294	0.939	20	0		CCADLM
CCC(CC)(CNc1cc[nH+]c(C(=O)[O-])n1)C(=O)[O-]	ZINC001595084636	979375753	/nfs/dbraw/zinc/37/57/53/979375753.db2.gz	RJHDFNCUKJQXQN-UHFFFAOYSA-N	-1	2	267.285	0.900	20	0		CCADLM
Cc1[nH]n(-c2nc3ccccn3n2)c(=O)c1CC(=O)[O-]	ZINC001594114422	998237694	/nfs/dbraw/zinc/23/76/94/998237694.db2.gz	XVIGCNCCLTXMGA-QMMMGPOBSA-N	-1	2	273.252	0.543	20	0		CCADLM
COC[C@@](C)(NC(=O)C(F)C(F)(F)F)C(=O)[O-]	ZINC001599152268	998314517	/nfs/dbraw/zinc/31/45/17/998314517.db2.gz	ZVROOZCQMMBDBW-CLZZGJSISA-N	-1	2	261.171	0.493	20	0		CCADLM
COC[C@@](C)(NC(=O)[C@@H](F)C(F)(F)F)C(=O)[O-]	ZINC001599152268	998314527	/nfs/dbraw/zinc/31/45/27/998314527.db2.gz	ZVROOZCQMMBDBW-CLZZGJSISA-N	-1	2	261.171	0.493	20	0		CCADLM
CO[C@H](CNC(=O)c1cccc2[nH]nnc21)[C@H]1CCOC1	ZINC000617134233	365544682	/nfs/dbraw/zinc/54/46/82/365544682.db2.gz	CAVIJPSCKYLLFT-JOYOIKCWSA-N	-1	2	290.323	0.739	20	0		CCADLM
CCCC[C@H](NS(=O)(=O)NCC(F)(F)F)C(=O)[O-]	ZINC000126283476	350142876	/nfs/dbraw/zinc/14/28/76/350142876.db2.gz	NTGSIMNDAPHMET-LURJTMIESA-N	-1	2	292.279	0.616	20	0		CCADLM
O=C(NCCCO[C@@H]1CCOC1)c1cccc2[nH]nnc21	ZINC000163660659	350769711	/nfs/dbraw/zinc/76/97/11/350769711.db2.gz	ZAJYVWPQHJVVKJ-SNVBAGLBSA-N	-1	2	290.323	0.883	20	0		CCADLM
C[NH+]1CCN(CCCNC(=O)c2c(O)cccc2F)CC1	ZINC000163731475	350772386	/nfs/dbraw/zinc/77/23/86/350772386.db2.gz	JPMCTQSQBYPWDK-UHFFFAOYSA-N	-1	2	295.358	0.899	20	0		CCADLM
C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc4n[nH]nc4c3)C[C@H]21	ZINC000329963093	354279158	/nfs/dbraw/zinc/27/91/58/354279158.db2.gz	PPRVGFXPVDGIPV-OLZOCXBDSA-N	-1	2	287.323	0.113	20	0		CCADLM
COC[C@H]1CCN1C(=O)c1c[nH]c2c(cnn2C)c1=O	ZINC000354012455	356330713	/nfs/dbraw/zinc/33/07/13/356330713.db2.gz	ZHHGIOJYWATHIR-MRVPVSSYSA-N	-1	2	276.296	0.535	20	0		CCADLM
C[N@H+](C[C@@H](O)C[NH+]1CCc2occc2[C@@H]1C(=O)[O-])C1CC1	ZINC000530166195	358370521	/nfs/dbraw/zinc/37/05/21/358370521.db2.gz	LXBPDUMQGZZMHP-BXUZGUMPSA-N	-1	2	294.351	0.719	20	0		CCADLM
C[N@H+](C[C@@H](O)C[NH+]1CCc2occc2[C@H]1C(=O)[O-])C1CC1	ZINC000530166197	358370746	/nfs/dbraw/zinc/37/07/46/358370746.db2.gz	LXBPDUMQGZZMHP-RISCZKNCSA-N	-1	2	294.351	0.719	20	0		CCADLM
COCc1nsc(N[C@H]2CC[C@@H](C(=O)[O-])C2)n1	ZINC000580895124	359106548	/nfs/dbraw/zinc/10/65/48/359106548.db2.gz	IAJWSAKGYLICRI-RQJHMYQMSA-N	-1	2	257.315	0.772	20	0		CCADLM
Cc1nocc1S(=O)(=O)NCC(C)(C)n1cc[nH+]c1	ZINC000632733225	371236564	/nfs/dbraw/zinc/23/65/64/371236564.db2.gz	ROCKLOFKWKHXTL-UHFFFAOYSA-N	-1	2	284.341	0.893	20	0		CCADLM
Cn1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)cn1	ZINC000037462785	388845855	/nfs/dbraw/zinc/84/58/55/388845855.db2.gz	AHNHSZVDZUNKJJ-UHFFFAOYSA-N	-1	2	297.292	0.625	20	0		CCADLM
CSC[C@@](C)(O)CNC(=O)c1cccc2[nH]nnc21	ZINC000180047950	389665023	/nfs/dbraw/zinc/66/50/23/389665023.db2.gz	TYMHOKCSYAIVTD-LBPRGKRZSA-N	-1	2	280.353	0.802	20	0		CCADLM
Cc1[nH]nc(C(=O)N2CCC[C@@H](C3N=NC(=O)O3)C2)c1[O-]	ZINC000644883781	390338263	/nfs/dbraw/zinc/33/82/63/390338263.db2.gz	CGVZLGZNXNMTML-SSDOTTSWSA-N	-1	2	293.283	0.532	20	0		CCADLM
CC[N@@H+]1CCO[C@H](c2nc(-c3cc(=O)[nH]cn3)no2)C1	ZINC000565892752	390556137	/nfs/dbraw/zinc/55/61/37/390556137.db2.gz	UTMULGBWUYJVHP-VIFPVBQESA-N	-1	2	277.284	0.625	20	0		CCADLM
C[C@@H](CNS(=O)(=O)[C@H](C)C(F)(F)F)CC(=O)[O-]	ZINC000548264043	286020754	/nfs/dbraw/zinc/02/07/54/286020754.db2.gz	HVKSVAUGVIBIAC-PHDIDXHHSA-N	-1	2	277.264	0.967	20	0		CCADLM
C[C@H](CN=c1[nH]nc(C2CCOCC2)s1)C(=O)[O-]	ZINC000582609958	329116213	/nfs/dbraw/zinc/11/62/13/329116213.db2.gz	QWDXMRGWITYHRN-SSDOTTSWSA-N	-1	2	271.342	0.987	20	0		CCADLM
C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)CC(F)(F)F	ZINC000577488538	335358054	/nfs/dbraw/zinc/35/80/54/335358054.db2.gz	BPBFDPGSHMOCRH-UHNVWZDZSA-N	-1	2	263.237	0.577	20	0		CCADLM
CCC(CC)(CNC(=O)N=c1cccn[nH]1)C(=O)[O-]	ZINC000424379649	528672860	/nfs/dbraw/zinc/67/28/60/528672860.db2.gz	IPGQUIKNSMYNOC-UHFFFAOYSA-N	-1	2	266.301	0.911	20	0		CCADLM
O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1	ZINC000739549882	581570580	/nfs/dbraw/zinc/57/05/80/581570580.db2.gz	VGMNXNIYEBIOBE-BDAKNGLRSA-N	-1	2	289.247	0.689	20	0		CCADLM
c1cc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)n[nH]1	ZINC000823751979	599435658	/nfs/dbraw/zinc/43/56/58/599435658.db2.gz	VDLJQDDPQYWPCM-UHFFFAOYSA-N	-1	2	295.310	0.527	20	0		CCADLM
O=C([O-])N(CC(=O)OCc1n[nH]c(=O)[nH]1)c1ccccc1	ZINC000834004562	605956324	/nfs/dbraw/zinc/95/63/24/605956324.db2.gz	YWCDKJTWWGXMRB-UHFFFAOYSA-N	-1	2	292.251	0.738	20	0		CCADLM
CC(C)C[C@@H](NC(=O)C[C@@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC000817863284	614194150	/nfs/dbraw/zinc/19/41/50/614194150.db2.gz	CGTDNKOFGWWEQC-RQJHMYQMSA-N	-1	2	287.341	0.158	20	0		CCADLM
CC(C)(CC(=O)[O-])CC(=O)OCc1n[nH]c(=O)[nH]1	ZINC000833455016	614079071	/nfs/dbraw/zinc/07/90/71/614079071.db2.gz	FQVNYLCNRIYISE-UHFFFAOYSA-N	-1	2	257.246	0.445	20	0		CCADLM
O=C([O-])c1cccc(N2CCOC[C@H]2C(=O)[O-])[nH+]1	ZINC000900943865	634132338	/nfs/dbraw/zinc/13/23/38/634132338.db2.gz	GKJNOWTWBKEVCF-QMMMGPOBSA-N	-1	2	252.226	0.070	20	0		CCADLM
O=C([O-])CCN(Cc1ccncc1)C(=O)Cc1c[nH+]c[nH]1	ZINC000911525516	636287362	/nfs/dbraw/zinc/28/73/62/636287362.db2.gz	RLJCDRUBZNAQGL-UHFFFAOYSA-N	-1	2	288.307	0.851	20	0		CCADLM
C[C@@H](C(F)(F)F)S(=O)(=O)NCC1(C(=O)[O-])CC1	ZINC000837293873	642734909	/nfs/dbraw/zinc/73/49/09/642734909.db2.gz	WFVXBUULKFLVOH-YFKPBYRVSA-N	-1	2	275.248	0.721	20	0		CCADLM
CC(=O)C[C@@H](NS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-]	ZINC000863407436	645092701	/nfs/dbraw/zinc/09/27/01/645092701.db2.gz	HZOGWSMADCFSKB-PHDIDXHHSA-N	-1	2	291.247	0.289	20	0		CCADLM
O=[P@]([O-])(O)c1ccc(C2=CCS(=O)(=O)CC2)cc1	ZINC001245212647	807070717	/nfs/dbraw/zinc/07/07/17/807070717.db2.gz	MBRFTKDQNLEVDN-UHFFFAOYSA-N	-1	2	288.261	0.692	20	0		CCADLM
O=C([O-])C[C@@H](O)C(=O)Oc1[nH]c(=O)nc2cccc(F)c21	ZINC001231073734	805723839	/nfs/dbraw/zinc/72/38/39/805723839.db2.gz	ITORLYUZRFTVGH-SSDOTTSWSA-N	-1	2	296.210	0.216	20	0		CCADLM
O=C(c1cccc2[nH]ncc21)N1CC[C@@H](c2nn[n-]n2)C1	ZINC001153001670	800580024	/nfs/dbraw/zinc/58/00/24/800580024.db2.gz	MIPVZVVMAXPWPJ-MRVPVSSYSA-N	-1	2	283.295	0.706	20	0		CCADLM
O=C(Cc1c[nH]c2ncccc12)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001153001306	800580317	/nfs/dbraw/zinc/58/03/17/800580317.db2.gz	KCPROSWYFNRSMH-SECBINFHSA-N	-1	2	297.322	0.635	20	0		CCADLM
O=C(Cc1c[nH]c2ncccc12)N1CC[C@@H](c2nn[n-]n2)C1	ZINC001153001306	800580324	/nfs/dbraw/zinc/58/03/24/800580324.db2.gz	KCPROSWYFNRSMH-SECBINFHSA-N	-1	2	297.322	0.635	20	0		CCADLM
[NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCc1sccc1Cl	ZINC001220821202	804672681	/nfs/dbraw/zinc/67/26/81/804672681.db2.gz	BAQDCWTXNSWTFD-LURJTMIESA-N	-1	2	286.748	0.101	20	0		CCADLM
O=[P@@]([O-])(O)c1ccc(C2=CCS(=O)(=O)CC2)cc1	ZINC001245212647	807070713	/nfs/dbraw/zinc/07/07/13/807070713.db2.gz	MBRFTKDQNLEVDN-UHFFFAOYSA-N	-1	2	288.261	0.692	20	0		CCADLM
C[N@H+](CC(N)=O)Cc1cc(=O)[nH]c(-c2ccccc2)n1	ZINC001412944517	902379094	/nfs/dbraw/zinc/37/90/94/902379094.db2.gz	ODCMUVFMQUGMBP-UHFFFAOYSA-N	-1	2	272.308	0.766	20	0		CCADLM
O=C(c1c(O)cccc1F)N1CCOC[C@H]1c1nnn[n-]1	ZINC001363116066	928889880	/nfs/dbraw/zinc/88/98/80/928889880.db2.gz	ISTBOYAQHRKURY-QMMMGPOBSA-N	-1	2	293.258	0.258	20	0		CCADLM
O=C([O-])C1(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)CCC1	ZINC001594847764	954158713	/nfs/dbraw/zinc/15/87/13/954158713.db2.gz	OQPYIAWTYFJNTF-UHFFFAOYSA-N	-1	2	294.311	0.471	20	0		CCADLM
C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=NN(C)CC1=O	ZINC001589114859	956086173	/nfs/dbraw/zinc/08/61/73/956086173.db2.gz	XTPAJDKSZXEZFX-HRDYMLBCSA-N	-1	2	281.312	0.804	20	0		CCADLM
C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1nn(C)cc1O	ZINC001589114859	956086184	/nfs/dbraw/zinc/08/61/84/956086184.db2.gz	XTPAJDKSZXEZFX-HRDYMLBCSA-N	-1	2	281.312	0.804	20	0		CCADLM
O=C([O-])c1ccc2c(c1)OCCN(Cc1n[nH]c(=O)[nH]1)C2	ZINC001571038895	960553890	/nfs/dbraw/zinc/55/38/90/960553890.db2.gz	OOWSHTZYUCOBPA-UHFFFAOYSA-N	-1	2	290.279	0.603	20	0		CCADLM
CCc1cnc(NS(=O)(=O)c2n[nH]cc2C(=O)[O-])o1	ZINC001597632644	988605636	/nfs/dbraw/zinc/60/56/36/988605636.db2.gz	ZYPYTBMKZALCHE-UHFFFAOYSA-N	-1	2	286.269	0.459	20	0		CCADLM
C[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1nn(C)cc1O	ZINC001593181145	994068679	/nfs/dbraw/zinc/06/86/79/994068679.db2.gz	HWUBTKVQACBPJX-SSDOTTSWSA-N	-1	2	290.279	0.710	20	0		CCADLM
COc1cc(C[N@H+](CCC(=O)[O-])CC(=O)[O-])sn1	ZINC001599406695	997319068	/nfs/dbraw/zinc/31/90/68/997319068.db2.gz	MOEOASFQUAZMNV-UHFFFAOYSA-N	-1	2	274.298	0.513	20	0		CCADLM
COc1cc(C[N@@H+](CCC(=O)[O-])CC(=O)[O-])sn1	ZINC001599406695	997319076	/nfs/dbraw/zinc/31/90/76/997319076.db2.gz	MOEOASFQUAZMNV-UHFFFAOYSA-N	-1	2	274.298	0.513	20	0		CCADLM
CCC(CC)(CO)CNC(=O)N=c1ccc(OC)n[n-]1	ZINC000346639845	137296418	/nfs/dbraw/zinc/29/64/18/137296418.db2.gz	STNLXFMRDXWQAG-UHFFFAOYSA-N	-1	2	282.344	0.827	20	0		CCADLM
CCO[C@@H]1COCC[C@H]1NC(=O)N=c1ccc(OC)n[n-]1	ZINC000346677042	137299028	/nfs/dbraw/zinc/29/90/28/137299028.db2.gz	UYRICFRRZFVCJG-NXEZZACHSA-N	-1	2	296.327	0.223	20	0		CCADLM
COC(=O)C(C)(C)CNC(=O)N=c1ccc(OC)n[n-]1	ZINC000346682898	137299120	/nfs/dbraw/zinc/29/91/20/137299120.db2.gz	OYCRCVYLRJYJHC-UHFFFAOYSA-N	-1	2	282.300	0.228	20	0		CCADLM
COc1n[nH]c(NC(=O)C[N@H+](C)Cc2ccccc2)n1	ZINC000179370464	351265717	/nfs/dbraw/zinc/26/57/17/351265717.db2.gz	UIGZRIBSXXSLGA-UHFFFAOYSA-N	-1	2	275.312	0.884	20	0		CCADLM
O=C(N[C@H]1C[C@H](O)C12CCC2)c1cccc2[nH]nnc21	ZINC000619078943	366188839	/nfs/dbraw/zinc/18/88/39/366188839.db2.gz	XATVJESPIGQHSX-QWRGUYRKSA-N	-1	2	272.308	0.991	20	0		CCADLM
COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1cncc(O)c1	ZINC000336844930	355214670	/nfs/dbraw/zinc/21/46/70/355214670.db2.gz	FVHIUNKPLYWPKI-LLVKDONJSA-N	-1	2	290.279	0.024	20	0		CCADLM
COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1cncc(O)c1	ZINC000336844930	355214675	/nfs/dbraw/zinc/21/46/75/355214675.db2.gz	FVHIUNKPLYWPKI-LLVKDONJSA-N	-1	2	290.279	0.024	20	0		CCADLM
CSc1nc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)n[nH]1	ZINC000567975587	358619908	/nfs/dbraw/zinc/61/99/08/358619908.db2.gz	XFBIEJFXWYCXCJ-ZETCQYMHSA-N	-1	2	278.341	0.924	20	0		CCADLM
CSc1n[nH]c(NC(=O)[C@H]2CCc3c[nH+]cn3C2)n1	ZINC000567975587	358619910	/nfs/dbraw/zinc/61/99/10/358619910.db2.gz	XFBIEJFXWYCXCJ-ZETCQYMHSA-N	-1	2	278.341	0.924	20	0		CCADLM
O=C(C[NH+]1CCC(C2CCOCC2)CC1)Nc1nn[nH]n1	ZINC000573087745	358936014	/nfs/dbraw/zinc/93/60/14/358936014.db2.gz	UIIXHBIQJKVOEB-UHFFFAOYSA-N	-1	2	294.359	0.277	20	0		CCADLM
C[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1n1ccnc1	ZINC000329474032	202351656	/nfs/dbraw/zinc/35/16/56/202351656.db2.gz	BMFAQFKANIHLRC-WDEREUQCSA-N	-1	2	276.344	0.388	20	0		CCADLM
CC[C@@H]1C[N@H+](C)CCCN1C(=O)CSc1n[nH]c(=O)[nH]1	ZINC000614342889	364577249	/nfs/dbraw/zinc/57/72/49/364577249.db2.gz	QJNGEBDTTGRAFE-SECBINFHSA-N	-1	2	299.400	0.545	20	0		CCADLM
CC1(c2nc(=NC(=O)c3cc(=O)[nH][n-]3)s[nH]2)CC1	ZINC000628539683	369301763	/nfs/dbraw/zinc/30/17/63/369301763.db2.gz	MWBFHGZGUXBEHT-UHFFFAOYSA-N	-1	2	265.298	0.693	20	0		CCADLM
C[C@H]1COCC[N@@H+]1CCNC(=O)Cc1cncc(O)c1	ZINC000520837797	285276777	/nfs/dbraw/zinc/27/67/77/285276777.db2.gz	HQBLLWKXOCOSFK-NSHDSACASA-N	-1	2	279.340	0.167	20	0		CCADLM
Cc1cc(C(=O)N(CC(=O)[O-])C2CC2)c2cnn(C)c2n1	ZINC000190725783	388998014	/nfs/dbraw/zinc/99/80/14/388998014.db2.gz	WXBCLHBYKSBBST-UHFFFAOYSA-N	-1	2	288.307	0.966	20	0		CCADLM
COCC[NH2+]CCNC(=O)c1cc(F)c(F)c(O)c1F	ZINC000216273678	389133573	/nfs/dbraw/zinc/13/35/73/389133573.db2.gz	WOKQLRUSDATRNI-UHFFFAOYSA-N	-1	2	292.257	0.775	20	0		CCADLM
COCc1nsc(NCC2(C(=O)[O-])CCOCC2)n1	ZINC000647458229	390820285	/nfs/dbraw/zinc/82/02/85/390820285.db2.gz	ZIVJNTHBYHFZNQ-UHFFFAOYSA-N	-1	2	287.341	0.400	20	0		CCADLM
Cc1csc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1	ZINC000020213520	171075783	/nfs/dbraw/zinc/07/57/83/171075783.db2.gz	ODLIUWJBONSDMH-UHFFFAOYSA-N	-1	2	287.322	0.701	20	0		CCADLM
O=C([O-])c1csc(S(=O)(=O)Nc2cn[nH]c2)c1	ZINC000035732271	172382705	/nfs/dbraw/zinc/38/27/05/172382705.db2.gz	VFOXOXRRSNCANJ-UHFFFAOYSA-N	-1	2	273.295	0.970	20	0		CCADLM
O=C([O-])c1ccc[nH+]c1N[C@@H]1C[C@@H](C(=O)[O-])C[C@H]1O	ZINC000662895673	414875893	/nfs/dbraw/zinc/87/58/93/414875893.db2.gz	FUUAINSSADLJFJ-FTLITQJKSA-N	-1	2	266.253	0.416	20	0		CCADLM
CC(C)(NC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1)C(=O)[O-]	ZINC000736338801	581743898	/nfs/dbraw/zinc/74/38/98/581743898.db2.gz	CXIOSYFECPUZQN-UHFFFAOYSA-N	-1	2	291.263	0.623	20	0		CCADLM
Cn1cc(S(=O)(=O)Nc2ccccc2CC(=O)[O-])cn1	ZINC000053200390	597312012	/nfs/dbraw/zinc/31/20/12/597312012.db2.gz	NHWISRCNGNVDIY-UHFFFAOYSA-N	-1	2	295.320	0.848	20	0		CCADLM
N=C1NC(=O)[C@@H](CC(=O)N2CCC(CC(=O)[O-])CC2)S1	ZINC000833088959	600866239	/nfs/dbraw/zinc/86/62/39/600866239.db2.gz	LIMLBOLLXADHEA-MRVPVSSYSA-N	-1	2	299.352	0.256	20	0		CCADLM
Cc1nnc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)s1	ZINC000123516822	601501974	/nfs/dbraw/zinc/50/19/74/601501974.db2.gz	VZCVCSCXWGSRGJ-UHFFFAOYSA-N	-1	2	288.310	0.674	20	0		CCADLM
Cc1cc(NC(=O)NCc2n[nH]c(=O)[nH]2)ccc1C(=O)[O-]	ZINC000392303525	602364107	/nfs/dbraw/zinc/36/41/07/602364107.db2.gz	BAKQYKNDDFEZEL-UHFFFAOYSA-N	-1	2	291.267	0.839	20	0		CCADLM
C[C@@]1(C(=O)OCc2n[nH]c(=O)[nH]2)CCCCN1C(=O)[O-]	ZINC000833822193	605866085	/nfs/dbraw/zinc/86/60/85/605866085.db2.gz	JTPTZKGLFJHSFI-NSHDSACASA-N	-1	2	284.272	0.476	20	0		CCADLM
O=C([O-])N1CC[NH+](CC(=O)[N-]OCc2ccccc2)CC1	ZINC000834004516	605998220	/nfs/dbraw/zinc/99/82/20/605998220.db2.gz	BXAQHXKXJHOTRQ-UHFFFAOYSA-N	-1	2	293.323	0.530	20	0		CCADLM
CC(C)[C@@H](CO)ONC(=O)[C@@H]1CCc2c[nH+]cn2C1	ZINC000854830080	614104340	/nfs/dbraw/zinc/10/43/40/614104340.db2.gz	MBZSVGWPIREMNI-ZYHUDNBSSA-N	-1	2	267.329	0.510	20	0		CCADLM
CC(C)C[C@@H](NC(=O)[O-])C(=O)OCc1n[nH]c(=O)[nH]1	ZINC000833484988	614195338	/nfs/dbraw/zinc/19/53/38/614195338.db2.gz	VVTCBQFPDOTTKM-ZCFIWIBFSA-N	-1	2	272.261	0.236	20	0		CCADLM
O=C([O-])[C@H]1CSCCN1C(=O)NC/C=C/Cl	ZINC000900311060	633987891	/nfs/dbraw/zinc/98/78/91/633987891.db2.gz	QOAJYNCTRTVWBE-QOHHWTFISA-N	-1	2	264.734	0.951	20	0		CCADLM
O=C(Nn1c(=O)[n-][nH]c1=O)c1csc(NC2CC2)n1	ZINC000816732774	641205559	/nfs/dbraw/zinc/20/55/59/641205559.db2.gz	VAAZCPYJIVXGHS-UHFFFAOYSA-N	-1	2	282.285	0.104	20	0		CCADLM
COc1cc(C)c(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cc1C	ZINC001219391303	804295573	/nfs/dbraw/zinc/29/55/73/804295573.db2.gz	REJREVUMYFHWKW-VIFPVBQESA-N	-1	2	290.327	0.334	20	0		CCADLM
Cc1ccc(S(=O)(=O)Nc2nnco2)cc1C(=O)[O-]	ZINC001184652627	844271188	/nfs/dbraw/zinc/27/11/88/844271188.db2.gz	DSWQDUZRKITFFD-UHFFFAOYSA-N	-1	2	283.265	0.877	20	0		CCADLM
CC(C)O[N-]C(=O)CSCC(=O)NOC(C)C	ZINC001324501256	912877857	/nfs/dbraw/zinc/87/78/57/912877857.db2.gz	RRVGUBBLOLYGRJ-UHFFFAOYSA-N	-1	2	264.347	0.632	20	0		CCADLM
Cc1nc(NCC[N@H+]2CCOC[C@H]2C)cc(=O)[nH]1	ZINC001342880017	923120663	/nfs/dbraw/zinc/12/06/63/923120663.db2.gz	KNNSNDMHOHFMOX-SECBINFHSA-N	-1	2	252.318	0.623	20	0		CCADLM
COC[C@H](NC(=O)c1cc(Cl)ccc1O)c1nn[n-]n1	ZINC001363438560	929234125	/nfs/dbraw/zinc/23/41/25/929234125.db2.gz	UHMPNEMAMVHJNS-QMMMGPOBSA-N	-1	2	297.702	0.676	20	0		CCADLM
C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C[C@@H]1SC(=N)NC1=O	ZINC001589298947	953675006	/nfs/dbraw/zinc/67/50/06/953675006.db2.gz	SFPHENZVRXUUSZ-PRJMDXOYSA-N	-1	2	299.352	0.255	20	0		CCADLM
Cc1nnc(NS(=O)(=O)c2scnc2C(=O)[O-])o1	ZINC000127696236	958620648	/nfs/dbraw/zinc/62/06/48/958620648.db2.gz	FXXVCVMFSMPRLN-UHFFFAOYSA-N	-1	2	290.282	0.334	20	0		CCADLM
CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](CCC(=O)[O-])CC(=O)[O-]	ZINC001594986188	982810802	/nfs/dbraw/zinc/81/08/02/982810802.db2.gz	BCZYPOXORINNHL-RKDXNWHRSA-N	-1	2	274.317	0.151	20	0		CCADLM
CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](CCC(=O)[O-])CC(=O)[O-]	ZINC001594986188	982810811	/nfs/dbraw/zinc/81/08/11/982810811.db2.gz	BCZYPOXORINNHL-RKDXNWHRSA-N	-1	2	274.317	0.151	20	0		CCADLM
Cc1[nH]n(-c2nc3ccccn3n2)c(=O)c1CC(=O)[O-]	ZINC001594114421	998237672	/nfs/dbraw/zinc/23/76/72/998237672.db2.gz	XVIGCNCCLTXMGA-MRVPVSSYSA-N	-1	2	273.252	0.543	20	0		CCADLM
CC[C@@]1(O)CCN(C(=O)N=c2ccc(OC)n[n-]2)C1	ZINC000346682313	137299188	/nfs/dbraw/zinc/29/91/88/137299188.db2.gz	NFXSOIZADZHWKW-GFCCVEGCSA-N	-1	2	266.301	0.286	20	0		CCADLM
C[C@H](NC(=O)C1=NN(c2ccccc2)CC1=O)C(=O)[O-]	ZINC000237501323	352269036	/nfs/dbraw/zinc/26/90/36/352269036.db2.gz	MSMCYBTWZHVYDI-QMMMGPOBSA-N	-1	2	275.264	0.781	20	0		CCADLM
Cc1ccc(O)c(C[N@H+]2CCN(C[C@H](C)O)[C@@H](C)C2)n1	ZINC000271155377	353027160	/nfs/dbraw/zinc/02/71/60/353027160.db2.gz	HLJPGTMFZHCPGC-STQMWFEESA-N	-1	2	279.384	0.983	20	0		CCADLM
CCN(C(=O)NC[C@H](CC(=O)O)C(=O)[O-])C(C)C	ZINC000274952328	353175626	/nfs/dbraw/zinc/17/56/26/353175626.db2.gz	IDCZJPGOKDDTPC-QMMMGPOBSA-N	-1	2	260.290	0.602	20	0		CCADLM
Cc1c(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cnn1C	ZINC000362434666	138059483	/nfs/dbraw/zinc/05/94/83/138059483.db2.gz	NUVNBOLGBKDXOD-UHFFFAOYSA-N	-1	2	284.297	0.556	20	0		CCADLM
COCC[C@]1([NH2+]Cc2cc(=O)n3[nH]ccc3n2)CCOC1	ZINC000568835214	358708244	/nfs/dbraw/zinc/70/82/44/358708244.db2.gz	QFNCNPWAPYZQCE-AWEZNQCLSA-N	-1	2	292.339	0.308	20	0		CCADLM
COCc1nsc(NC[C@]2(C(=O)[O-])CCCOC2)n1	ZINC000630462374	370125553	/nfs/dbraw/zinc/12/55/53/370125553.db2.gz	BKZWGQLMESFVMD-LLVKDONJSA-N	-1	2	287.341	0.400	20	0		CCADLM
CC[C@@](C)(NS(=O)(=O)CC(F)(F)F)C(=O)[O-]	ZINC000570566791	291765513	/nfs/dbraw/zinc/76/55/13/291765513.db2.gz	IWDMVRWZOZDCOO-ZCFIWIBFSA-N	-1	2	263.237	0.721	20	0		CCADLM
O=c1[nH]nc([C@@H]2CCCN(CC[N@@H+]3CCCOCC3)C2)[nH]1	ZINC000361397970	389215281	/nfs/dbraw/zinc/21/52/81/389215281.db2.gz	ZQVYVRHZPSVKBT-GFCCVEGCSA-N	-1	2	295.387	0.412	20	0		CCADLM
C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC000548535007	286046192	/nfs/dbraw/zinc/04/61/92/286046192.db2.gz	KILIACWMVABVLU-IMJSIDKUSA-N	-1	2	299.217	0.965	20	0		CCADLM
O=C([O-])Cn1cc(S(=O)(=O)Nc2ccccc2)cn1	ZINC000035651572	172328295	/nfs/dbraw/zinc/32/82/95/172328295.db2.gz	JODOQVXHPAUREX-UHFFFAOYSA-N	-1	2	281.293	0.769	20	0		CCADLM
C[C@@H](Nc1cc(N[C@H](C)C(=O)[O-])[nH+]cn1)C(=O)[O-]	ZINC000662877426	414865274	/nfs/dbraw/zinc/86/52/74/414865274.db2.gz	BLVZPYQWRDBVLW-PHDIDXHHSA-N	-1	2	254.246	0.247	20	0		CCADLM
O=C1NC(=O)[C@]2(CCC[N@H+](Cc3c[nH+]c4ccccn34)C2)N1	ZINC000192634131	544803039	/nfs/dbraw/zinc/80/30/39/544803039.db2.gz	JCKPQBWXGYLTNE-OAHLLOKOSA-N	-1	2	299.334	0.508	20	0		CCADLM
Cc1ccc(O)c(C[N@@H+]2CCN(S(C)(=O)=O)[C@H](C)C2)n1	ZINC000668590113	545183078	/nfs/dbraw/zinc/18/30/78/545183078.db2.gz	BPWGDMYEKOSWQV-LLVKDONJSA-N	-1	2	299.396	0.561	20	0		CCADLM
Cc1ccc(NS(=O)(=O)c2cnnn2C)c(C(=O)[O-])c1	ZINC000682832762	545491170	/nfs/dbraw/zinc/49/11/70/545491170.db2.gz	HQOFWVWPPRBELQ-UHFFFAOYSA-N	-1	2	296.308	0.623	20	0		CCADLM
O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1	ZINC000739553376	581570634	/nfs/dbraw/zinc/57/06/34/581570634.db2.gz	OYDWLGNGZZPKTR-RKDXNWHRSA-N	-1	2	289.247	0.689	20	0		CCADLM
Cn1c(=O)c2ccc(C(=O)OCC(=O)[O-])cc2[nH]c1=S	ZINC000738403036	582045879	/nfs/dbraw/zinc/04/58/79/582045879.db2.gz	FLXIOAOAJMBJDQ-UHFFFAOYSA-N	-1	2	294.288	0.464	20	0		CCADLM
Cc1ccc([C@@H](CNC(=O)C2=NNC(=O)C2)C(=O)[O-])cc1	ZINC000738554582	582062287	/nfs/dbraw/zinc/06/22/87/582062287.db2.gz	PIEXFGZHPLTHMB-SNVBAGLBSA-N	-1	2	289.291	0.155	20	0		CCADLM
O=C([O-])[C@H]1CCC[C@@H](C(=O)NCCCc2n[nH]c(=O)[nH]2)C1	ZINC000833182938	601212561	/nfs/dbraw/zinc/21/25/61/601212561.db2.gz	LSKVBTKZHJDATC-BDAKNGLRSA-N	-1	2	296.327	0.450	20	0		CCADLM
N=C1NC(=O)[C@H](CC(=O)NC2(CC(=O)[O-])CCC2)S1	ZINC000833089674	601433068	/nfs/dbraw/zinc/43/30/68/601433068.db2.gz	TWDIXCMWCMBNEL-LURJTMIESA-N	-1	2	285.325	0.056	20	0		CCADLM
N=C1NC(=O)[C@@H](CC(=O)NCC2(C(=O)[O-])CCCC2)S1	ZINC000833089729	601707260	/nfs/dbraw/zinc/70/72/60/601707260.db2.gz	WMVAIHFHFZZUMQ-SSDOTTSWSA-N	-1	2	299.352	0.304	20	0		CCADLM
Cn1cc(NS(=O)(=O)c2ccnn2C)cc1C(=O)[O-]	ZINC000833052555	601784910	/nfs/dbraw/zinc/78/49/10/601784910.db2.gz	ADLOSLRUDIRTOT-UHFFFAOYSA-N	-1	2	284.297	0.258	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)n1	ZINC000830678477	603550153	/nfs/dbraw/zinc/55/01/53/603550153.db2.gz	OYVRMAJFLHFACG-MRVPVSSYSA-N	-1	2	299.356	0.416	20	0		CCADLM
CC(C)C(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)o1	ZINC000824184974	613909788	/nfs/dbraw/zinc/90/97/88/613909788.db2.gz	PDZNGGLPMSNXMF-UHFFFAOYSA-N	-1	2	292.343	0.664	20	0		CCADLM
CC(C)C(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)o1	ZINC000824184974	613909794	/nfs/dbraw/zinc/90/97/94/613909794.db2.gz	PDZNGGLPMSNXMF-UHFFFAOYSA-N	-1	2	292.343	0.664	20	0		CCADLM
CC(C)(CC(=O)[O-])CC(=O)NCCCc1n[nH]c(=O)[nH]1	ZINC000833453465	614078752	/nfs/dbraw/zinc/07/87/52/614078752.db2.gz	QFQXEZHMYBYLKC-UHFFFAOYSA-N	-1	2	284.316	0.450	20	0		CCADLM
CCC[C@](C)(NC(=O)[O-])C(=O)NCCCc1n[nH]c(=O)[nH]1	ZINC000826720070	614448023	/nfs/dbraw/zinc/44/80/23/614448023.db2.gz	DRQLACQTNKWORP-LBPRGKRZSA-N	-1	2	299.331	0.386	20	0		CCADLM
CCc1oc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc1C	ZINC000816733232	615870363	/nfs/dbraw/zinc/87/03/63/615870363.db2.gz	NXCUPFHZJIEPJG-UHFFFAOYSA-N	-1	2	252.230	0.537	20	0		CCADLM
CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1nn[n-]n1	ZINC000912618643	615881708	/nfs/dbraw/zinc/88/17/08/615881708.db2.gz	XGDRYOBEZJHBCC-SNVBAGLBSA-N	-1	2	264.333	0.570	20	0		CCADLM
C[C@@H]1CCN(C(=O)NCc2cn(C)cn2)[C@H](C(=O)[O-])C1	ZINC000900308713	633987578	/nfs/dbraw/zinc/98/75/78/633987578.db2.gz	MRAQWOXKTFIAKS-KOLCDFICSA-N	-1	2	280.328	0.815	20	0		CCADLM
Cn1cnc(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])c1	ZINC000900308594	633987732	/nfs/dbraw/zinc/98/77/32/633987732.db2.gz	LDNUJXFUCJULCJ-QMMMGPOBSA-N	-1	2	288.254	0.424	20	0		CCADLM
C[C@H]1CCN(C(=O)NCc2cn(C)cn2)[C@@H](C(=O)[O-])C1	ZINC000900308712	633988043	/nfs/dbraw/zinc/98/80/43/633988043.db2.gz	MRAQWOXKTFIAKS-GXSJLCMTSA-N	-1	2	280.328	0.815	20	0		CCADLM
Cc1nc2ccccn2c1CNC(=O)N[C@@H](C)C(=O)[O-]	ZINC000900309772	633988211	/nfs/dbraw/zinc/98/82/11/633988211.db2.gz	GMFXIGBIWUCDCB-VIFPVBQESA-N	-1	2	276.296	0.915	20	0		CCADLM
Cn1cnc(CNC(=O)N[C@@H](CCF)C(=O)[O-])c1	ZINC000900308729	633988257	/nfs/dbraw/zinc/98/82/57/633988257.db2.gz	NFPVAJSHRSVVPG-QMMMGPOBSA-N	-1	2	258.253	0.032	20	0		CCADLM
O=C(NCc1nc([O-])cc(=O)[nH]1)C(F)(F)C(F)F	ZINC000912473524	636594425	/nfs/dbraw/zinc/59/44/25/636594425.db2.gz	KWUYMAZTTHEJHW-UHFFFAOYSA-N	-1	2	269.154	0.404	20	0		CCADLM
Cc1nc2c(c(=O)[nH]1)C[N@H+](CCn1ccccc1=O)C2	ZINC000931314960	648977918	/nfs/dbraw/zinc/97/79/18/648977918.db2.gz	JTMZMYYIXCIGFZ-UHFFFAOYSA-N	-1	2	272.308	0.668	20	0		CCADLM
O=C([O-])c1ccc(S(=O)(=O)Nc2ccncn2)cc1	ZINC001260220984	808857134	/nfs/dbraw/zinc/85/71/34/808857134.db2.gz	AOCRWUCMCSGBTM-UHFFFAOYSA-N	-1	2	279.277	0.976	20	0		CCADLM
O=C(NCS(=O)(=O)[O-])C(F)(F)OCC(F)(F)F	ZINC001183194627	843975627	/nfs/dbraw/zinc/97/56/27/843975627.db2.gz	LWWAMDFXDUMZCZ-UHFFFAOYSA-N	-1	2	287.162	0.120	20	0		CCADLM
O=P([O-])([O-])OCCNc1cccn2cc[nH+]c12	ZINC001168590905	897712198	/nfs/dbraw/zinc/71/21/98/897712198.db2.gz	AYSBOZLINZRCBP-UHFFFAOYSA-N	-1	2	257.186	0.856	20	0		CCADLM
N=C1NC(=O)C(CC(=O)Nc2cc(C(=O)[O-])ccn2)S1	ZINC001594654688	956498767	/nfs/dbraw/zinc/49/87/67/956498767.db2.gz	VMOQTXPMGXEBAF-LURJTMIESA-N	-1	2	294.292	0.275	20	0		CCADLM
C[C@H](C(=O)[O-])N(C(=O)C[C@H]1SC(=N)NC1=O)C1CC1	ZINC001588585215	959300707	/nfs/dbraw/zinc/30/07/07/959300707.db2.gz	ZCRLUTGZMFJFAF-IYSWYEEDSA-N	-1	2	285.325	0.007	20	0		CCADLM
C[C@H](NC(=O)C(C)(C)NC(=O)C(F)(F)F)C(=O)[O-]	ZINC001594234557	959498081	/nfs/dbraw/zinc/49/80/81/959498081.db2.gz	PWVVLWVQLISECX-BYPYZUCNSA-N	-1	2	270.207	0.033	20	0		CCADLM
CC(C)(C)[C@@H](C(=O)[O-])C(=O)NOC[C@@H]1CCOC1	ZINC001588634342	959635641	/nfs/dbraw/zinc/63/56/41/959635641.db2.gz	PBGCBHJPFVMIHF-RKDXNWHRSA-N	-1	2	259.302	0.818	20	0		CCADLM
O=C([O-])[C@@H]1C[C@H](O)CN1Cc1nc(=O)c2sccc2[nH]1	ZINC000228610374	960029906	/nfs/dbraw/zinc/02/99/06/960029906.db2.gz	IZUZSMGOLKFONZ-XPUUQOCRSA-N	-1	2	295.320	0.004	20	0		CCADLM
COC(=O)CCCONC(=O)[C@@H](C(=O)[O-])C(C)C	ZINC001604304235	972954388	/nfs/dbraw/zinc/95/43/88/972954388.db2.gz	NRNSDEJMXFBVSQ-VIFPVBQESA-N	-1	2	261.274	0.344	20	0		CCADLM
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NOCCCC(=O)[O-])C1	ZINC001594624494	986684667	/nfs/dbraw/zinc/68/46/67/986684667.db2.gz	VXXUYTFDMGALDQ-SCZZXKLOSA-N	-1	2	281.312	0.988	20	0		CCADLM
CC(C)(C)C[C@H](NC(=O)CCc1ncn[nH]1)C(=O)[O-]	ZINC001589745877	988043733	/nfs/dbraw/zinc/04/37/33/988043733.db2.gz	VLYIWYNBOYEWHZ-QMMMGPOBSA-N	-1	2	268.317	0.743	20	0		CCADLM
CN(Cc1n[nH]c(=O)[nH]1)[C@H](C(=O)[O-])c1ccccc1	ZINC001598537123	992853614	/nfs/dbraw/zinc/85/36/14/992853614.db2.gz	UARRFEOZPZELQH-JTQLQIEISA-N	-1	2	262.269	0.768	20	0		CCADLM
C[C@@H]1CCN(C(=O)C[C@H]2SC(=N)NC2=O)[C@@H](C(=O)[O-])C1	ZINC001594397357	999497116	/nfs/dbraw/zinc/49/71/16/999497116.db2.gz	XXPYIFIOIRKMGJ-BWZBUEFSSA-N	-1	2	299.352	0.255	20	0		CCADLM
C[C@@H]1CCN(C(=O)C[C@H]2SC(=N)NC2=O)[C@H](C(=O)[O-])C1	ZINC001594397362	999497252	/nfs/dbraw/zinc/49/72/52/999497252.db2.gz	XXPYIFIOIRKMGJ-GJMOJQLCSA-N	-1	2	299.352	0.255	20	0		CCADLM
COc1ccc(=NC(=O)N(C)[C@H](CO)CC(C)C)[n-]n1	ZINC000346678214	137298694	/nfs/dbraw/zinc/29/86/94/137298694.db2.gz	WXLBPNCUABCZJC-JTQLQIEISA-N	-1	2	282.344	0.778	20	0		CCADLM
CC[C@@H](C)[C@](C)(O)CNC(=O)N=c1ccc(OC)n[n-]1	ZINC000346677878	137298748	/nfs/dbraw/zinc/29/87/48/137298748.db2.gz	WNTFHYMSGXAFJM-NOZJJQNGSA-N	-1	2	282.344	0.826	20	0		CCADLM
CCO[C@H]1COCC[C@H]1NC(=O)N=c1ccc(OC)n[n-]1	ZINC000346677048	137299176	/nfs/dbraw/zinc/29/91/76/137299176.db2.gz	UYRICFRRZFVCJG-ZJUUUORDSA-N	-1	2	296.327	0.223	20	0		CCADLM
CC(C)N(CC(=O)[O-])S(=O)(=O)NCC(F)(F)F	ZINC000126302571	350142942	/nfs/dbraw/zinc/14/29/42/350142942.db2.gz	PBQFDGSQDGAPTD-UHFFFAOYSA-N	-1	2	278.252	0.178	20	0		CCADLM
CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cc(O)cc(F)c2)C1	ZINC000186234445	351486631	/nfs/dbraw/zinc/48/66/31/351486631.db2.gz	UZKPANWLFUNQRK-LLVKDONJSA-N	-1	2	288.344	0.655	20	0		CCADLM
CCc1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)o1	ZINC000335827081	355021973	/nfs/dbraw/zinc/02/19/73/355021973.db2.gz	HCPSTZYJGJDJER-LLVKDONJSA-N	-1	2	263.297	0.578	20	0		CCADLM
CC1CC[NH+](CC(=O)NC2(c3nn[nH]n3)CC2)CC1	ZINC000348281635	355903136	/nfs/dbraw/zinc/90/31/36/355903136.db2.gz	UCHSQSQDHITKRG-UHFFFAOYSA-N	-1	2	264.333	0.037	20	0		CCADLM
CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)no1	ZINC000580950599	359113244	/nfs/dbraw/zinc/11/32/44/359113244.db2.gz	WDVUVBBUKLIJAG-VIFPVBQESA-N	-1	2	268.317	0.378	20	0		CCADLM
Cc1ccncc1C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1	ZINC000329312521	202275715	/nfs/dbraw/zinc/27/57/15/202275715.db2.gz	AOJMTRYAZBFQOM-LLVKDONJSA-N	-1	2	260.297	0.966	20	0		CCADLM
COC[C@]1(C(=O)[O-])CCN(c2[nH+]cccc2C(=O)[O-])C1	ZINC000634965995	372317933	/nfs/dbraw/zinc/31/79/33/372317933.db2.gz	YYHILEYJKISJLP-ZDUSSCGKSA-N	-1	2	280.280	0.707	20	0		CCADLM
C[C@@H]1CN(C(=O)c2c(O)cccc2O)CC[N@H+]1CCO	ZINC000189618520	388966221	/nfs/dbraw/zinc/96/62/21/388966221.db2.gz	PNWUFBKFZCKNBN-SNVBAGLBSA-N	-1	2	280.324	0.236	20	0		CCADLM
O=C(NC1(c2nn[nH]n2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1	ZINC000357054260	144054700	/nfs/dbraw/zinc/05/47/00/144054700.db2.gz	LFLMBXMHJHSHLU-LLVKDONJSA-N	-1	2	290.371	0.712	20	0		CCADLM
Cn1ccc(NS(=O)(=O)c2ccsc2C(=O)[O-])n1	ZINC000037395682	173176365	/nfs/dbraw/zinc/17/63/65/173176365.db2.gz	NZQPBWKQOZGXLN-UHFFFAOYSA-N	-1	2	287.322	0.981	20	0		CCADLM
O=C([O-])C1(NS(=O)(=O)CC(F)(F)F)CCOCC1	ZINC000566182610	334633132	/nfs/dbraw/zinc/63/31/32/334633132.db2.gz	HNDMULFXLCHZKU-UHFFFAOYSA-N	-1	2	291.247	0.102	20	0		CCADLM
CC(C)[C@@H](NS(=O)(=O)CC(F)(F)F)C(=O)[O-]	ZINC000381125228	336050911	/nfs/dbraw/zinc/05/09/11/336050911.db2.gz	JGYNDXBJKJIRRJ-RXMQYKEDSA-N	-1	2	263.237	0.577	20	0		CCADLM
CO[C@@H](CNS(=O)(=O)[C@@H](C)C(F)(F)F)CC(=O)[O-]	ZINC000530542067	545101875	/nfs/dbraw/zinc/10/18/75/545101875.db2.gz	AAVJJIRFSPUEHM-NTSWFWBYSA-N	-1	2	293.263	0.346	20	0		CCADLM
C[N@@H+](CCc1ccccc1)CC(=O)Nc1nn[nH]n1	ZINC000411174976	581875746	/nfs/dbraw/zinc/87/57/46/581875746.db2.gz	SXVLPKWKCNIOMY-UHFFFAOYSA-N	-1	2	260.301	0.313	20	0		CCADLM
N=C1NC(=O)[C@H](CC(=O)NC2(C(=O)[O-])CCCC2)S1	ZINC000819124750	600866321	/nfs/dbraw/zinc/86/63/21/600866321.db2.gz	NPPKEPLWOLWSDH-LURJTMIESA-N	-1	2	285.325	0.056	20	0		CCADLM
CN(C[C@H]1C[N@H+](C)CCO1)c1cccc(-c2nn[nH]n2)n1	ZINC000826045315	616254455	/nfs/dbraw/zinc/25/44/55/616254455.db2.gz	UKDVKPJIGNVUJH-SNVBAGLBSA-N	-1	2	289.343	0.029	20	0		CCADLM
CN(C[C@H]1C[N@@H+](C)CCO1)c1cccc(-c2nn[nH]n2)n1	ZINC000826045315	616254456	/nfs/dbraw/zinc/25/44/56/616254456.db2.gz	UKDVKPJIGNVUJH-SNVBAGLBSA-N	-1	2	289.343	0.029	20	0		CCADLM
C[C@@H](NC(=O)c1ccc(F)cc1O)[C@@H]1C[N@@H+](C)CCN1C	ZINC000896552003	632282743	/nfs/dbraw/zinc/28/27/43/632282743.db2.gz	IPCMNSIPDUBWFH-MFKMUULPSA-N	-1	2	295.358	0.895	20	0		CCADLM
O=C([O-])CNC(=O)NCCCOc1cccc(F)c1	ZINC000900312893	633987775	/nfs/dbraw/zinc/98/77/75/633987775.db2.gz	IRVOFYNWYQFRND-UHFFFAOYSA-N	-1	2	270.260	0.978	20	0		CCADLM
O=[P@@]([O-])(O)Oc1ccc(OC[C@H]2COCO2)cc1	ZINC001234333489	806224569	/nfs/dbraw/zinc/22/45/69/806224569.db2.gz	WOMAPCNCOLQWHB-SNVBAGLBSA-N	-1	2	276.181	0.910	20	0		CCADLM
O=[P@]([O-])(O)Oc1ccc(OC[C@H]2COCO2)cc1	ZINC001234333489	806224575	/nfs/dbraw/zinc/22/45/75/806224575.db2.gz	WOMAPCNCOLQWHB-SNVBAGLBSA-N	-1	2	276.181	0.910	20	0		CCADLM
Cn1cnc2cncc(C(=O)N3CC[C@H](c4nnn[n-]4)C3)c21	ZINC001153002005	800580041	/nfs/dbraw/zinc/58/00/41/800580041.db2.gz	OYNXKARDUXQCSF-QMMMGPOBSA-N	-1	2	298.310	0.111	20	0		CCADLM
Cn1cnc2cncc(C(=O)N3CC[C@H](c4nn[n-]n4)C3)c21	ZINC001153002005	800580042	/nfs/dbraw/zinc/58/00/42/800580042.db2.gz	OYNXKARDUXQCSF-QMMMGPOBSA-N	-1	2	298.310	0.111	20	0		CCADLM
Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)c(O)c1	ZINC000699522107	816758275	/nfs/dbraw/zinc/75/82/75/816758275.db2.gz	GJSYATFJQNHRQW-LLVKDONJSA-N	-1	2	264.325	0.449	20	0		CCADLM
C/C=C(\C)C(=O)N(C)CCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1	ZINC001273495714	844322129	/nfs/dbraw/zinc/32/21/29/844322129.db2.gz	IABOCBXHRZHCTD-IZZDOVSWSA-N	-1	2	295.387	0.355	20	0		CCADLM
Cc1cc(C[N@H+](C)CCNC(=O)c2cnc[nH]c2=O)on1	ZINC001372005089	929700741	/nfs/dbraw/zinc/70/07/41/929700741.db2.gz	KZQPEJCWOIMFEC-UHFFFAOYSA-N	-1	2	291.311	0.340	20	0		CCADLM
O=C([O-])[C@@H]1COCCN1C(=O)c1cccc(Cl)c1O	ZINC001594957676	954993371	/nfs/dbraw/zinc/99/33/71/954993371.db2.gz	TUEFTVDTFMXPLT-VIFPVBQESA-N	-1	2	285.683	0.971	20	0		CCADLM
C[C@@H](C(=O)[O-])N(C(=O)C[C@@H]1SC(=N)NC1=O)C1CC1	ZINC001588585214	959300334	/nfs/dbraw/zinc/30/03/34/959300334.db2.gz	ZCRLUTGZMFJFAF-FSPLSTOPSA-N	-1	2	285.325	0.007	20	0		CCADLM
C[C@H](NC(=O)c1cc(C(=O)[O-])nn1C)c1nn(C)cc1O	ZINC001573622776	959523903	/nfs/dbraw/zinc/52/39/03/959523903.db2.gz	OLUZHODXBZFQPN-LURJTMIESA-N	-1	2	293.283	0.048	20	0		CCADLM
C[C@H](OC(=O)C(C)(C)NC(=O)C(F)(F)F)C(=O)[O-]	ZINC001594242478	959541388	/nfs/dbraw/zinc/54/13/88/959541388.db2.gz	HJCMVUWGLQKVGY-BYPYZUCNSA-N	-1	2	271.191	0.460	20	0		CCADLM
CC(C)[C@H](C(=O)[O-])C(=O)NCCc1n[nH]c(=S)o1	ZINC001588808078	961490250	/nfs/dbraw/zinc/49/02/50/961490250.db2.gz	QPRBGJXFAIIBQN-ZETCQYMHSA-N	-1	2	273.314	0.374	20	0		CCADLM
O=C([O-])CC1(C(=O)NCCc2n[nH]c(=S)o2)CCC1	ZINC001606072463	973223841	/nfs/dbraw/zinc/22/38/41/973223841.db2.gz	HFKAQVRBVHMHRH-UHFFFAOYSA-N	-1	2	285.325	0.662	20	0		CCADLM
O=C([O-])COCCOCCNC(=O)C(F)C(F)(F)F	ZINC001606278629	973658505	/nfs/dbraw/zinc/65/85/05/973658505.db2.gz	AKVBYXRXYLYWMQ-SSDOTTSWSA-N	-1	2	291.197	0.121	20	0		CCADLM
O=C([O-])COCCOCCNC(=O)[C@@H](F)C(F)(F)F	ZINC001606278629	973658509	/nfs/dbraw/zinc/65/85/09/973658509.db2.gz	AKVBYXRXYLYWMQ-SSDOTTSWSA-N	-1	2	291.197	0.121	20	0		CCADLM
C[C@H](NC(=O)CCSCC(=O)[O-])C1=NN(C)CC1=O	ZINC001593019039	980266801	/nfs/dbraw/zinc/26/68/01/980266801.db2.gz	GYEOYOVJGXTHLL-ZETCQYMHSA-N	-1	2	287.341	0.511	20	0		CCADLM
C[C@H](NC(=O)CCSCC(=O)[O-])c1nn(C)cc1O	ZINC001593019039	980266806	/nfs/dbraw/zinc/26/68/06/980266806.db2.gz	GYEOYOVJGXTHLL-ZETCQYMHSA-N	-1	2	287.341	0.511	20	0		CCADLM
CCNc1nc(N(C)[C@@H](C)C(=O)[O-])nc(NC(C)(C)C)[nH+]1	ZINC001596504901	984260987	/nfs/dbraw/zinc/26/09/87/984260987.db2.gz	ICSXQHVBKHHADC-QMMMGPOBSA-N	-1	2	296.375	0.845	20	0		CCADLM
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NOCCCC(=O)[O-])C1	ZINC001594624496	986684633	/nfs/dbraw/zinc/68/46/33/986684633.db2.gz	VXXUYTFDMGALDQ-WPRPVWTQSA-N	-1	2	281.312	0.988	20	0		CCADLM
C[C@@]1(C(=O)[O-])CCCN(C(=O)C[C@@H]2SC(=N)NC2=O)C1	ZINC001593766615	996446751	/nfs/dbraw/zinc/44/67/51/996446751.db2.gz	RGAWFAWWVXYOIE-JVXZTZIISA-N	-1	2	299.352	0.256	20	0		CCADLM
Cc1ncc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1	ZINC000343264250	137123243	/nfs/dbraw/zinc/12/32/43/137123243.db2.gz	SJHSVXDZZUAKKD-UHFFFAOYSA-N	-1	2	282.281	0.612	20	0		CCADLM
COc1ccc(=NC(=O)N(C)[C@@H](C)C[S@@](C)=O)[n-]n1	ZINC000346680963	137299183	/nfs/dbraw/zinc/29/91/83/137299183.db2.gz	JIAVDHPEYATQCV-WPCRTTGESA-N	-1	2	286.357	0.138	20	0		CCADLM
C[C@H]1C[N@H+](CCCOC(=O)NC(N)=O)CCC1=O	ZINC000283130883	353483721	/nfs/dbraw/zinc/48/37/21/353483721.db2.gz	NNEBGAKJNHPWLZ-QMMMGPOBSA-N	-1	2	257.290	0.092	20	0		CCADLM
C[C@H]1C[N@@H+](CCCOC(=O)NC(N)=O)CCC1=O	ZINC000283130883	353483724	/nfs/dbraw/zinc/48/37/24/353483724.db2.gz	NNEBGAKJNHPWLZ-QMMMGPOBSA-N	-1	2	257.290	0.092	20	0		CCADLM
O=C(N=c1[n-]nc(C(F)F)s1)NCc1n[nH]c(=O)[nH]1	ZINC000354360533	356398295	/nfs/dbraw/zinc/39/82/95/356398295.db2.gz	CDUULIQSXPXKHB-UHFFFAOYSA-N	-1	2	291.243	0.043	20	0		CCADLM
C[N@H+](C[C@H](O)C[NH+]1CCc2occc2[C@@H]1C(=O)[O-])C1CC1	ZINC000530166198	358371069	/nfs/dbraw/zinc/37/10/69/358371069.db2.gz	LXBPDUMQGZZMHP-SMDDNHRTSA-N	-1	2	294.351	0.719	20	0		CCADLM
c1[nH]c2c([nH+]1)CC[C@H](N=c1ncnc3[nH][nH]cc1-3)C2	ZINC000568820611	358707189	/nfs/dbraw/zinc/70/71/89/358707189.db2.gz	DAGHZRZSUQPBCP-ZETCQYMHSA-N	-1	2	255.285	0.419	20	0		CCADLM
COc1cncc(C[N@@H+]2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)c1	ZINC000289463064	197358927	/nfs/dbraw/zinc/35/89/27/197358927.db2.gz	QGCFDNZKMKKWOP-LLVKDONJSA-N	-1	2	289.339	0.881	20	0		CCADLM
CC(C)c1nnc(C[NH+]2CCC(c3nc(=O)[nH][nH]3)CC2)[nH]1	ZINC000292994010	388975745	/nfs/dbraw/zinc/97/57/45/388975745.db2.gz	YNAPGMYXPOJOTP-UHFFFAOYSA-N	-1	2	291.359	0.719	20	0		CCADLM
COC(=O)CCS(=O)(=O)[N-]c1ccc(F)c(F)c1O	ZINC000414381619	389613810	/nfs/dbraw/zinc/61/38/10/389613810.db2.gz	IZDMSGDBVLQXFP-UHFFFAOYSA-N	-1	2	295.263	0.975	20	0		CCADLM
Cc1nc(=NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)[nH]n1C	ZINC000647703100	390140555	/nfs/dbraw/zinc/14/05/55/390140555.db2.gz	NVKGBFOQSRUNPD-APPZFPTMSA-N	-1	2	281.316	0.120	20	0		CCADLM
Cc1nc(=NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)[nH]n1C	ZINC000647703103	390140656	/nfs/dbraw/zinc/14/06/56/390140656.db2.gz	NVKGBFOQSRUNPD-VXNVDRBHSA-N	-1	2	281.316	0.120	20	0		CCADLM
Cc1n[nH]c(C)c1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-]	ZINC000539193205	390202526	/nfs/dbraw/zinc/20/25/26/390202526.db2.gz	JGPKNUQYPYHFQP-UHFFFAOYSA-N	-1	2	299.312	0.259	20	0		CCADLM
Cn1cc(S(=O)(=O)Nc2nccs2)cc1C(=O)[O-]	ZINC000020213374	171075442	/nfs/dbraw/zinc/07/54/42/171075442.db2.gz	XJQRUXOPYMTBOW-UHFFFAOYSA-N	-1	2	287.322	0.981	20	0		CCADLM
C[C@H](Nc1cc(N[C@@H](C)C(=O)[O-])[nH+]cn1)C(=O)[O-]	ZINC000662877427	414864811	/nfs/dbraw/zinc/86/48/11/414864811.db2.gz	BLVZPYQWRDBVLW-WDSKDSINSA-N	-1	2	254.246	0.247	20	0		CCADLM
CC[C@@H](NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(=O)[O-]	ZINC000565457807	334565008	/nfs/dbraw/zinc/56/50/08/334565008.db2.gz	HWADRNFTTFWZCV-SSDOTTSWSA-N	-1	2	292.251	0.029	20	0		CCADLM
O=C([O-])N(CC(=O)OCCc1cnn[nH]1)C[C@H]1CCCO1	ZINC000831481401	604190363	/nfs/dbraw/zinc/19/03/63/604190363.db2.gz	YOZXDUHYHLALCB-SNVBAGLBSA-N	-1	2	298.299	0.049	20	0		CCADLM
O=C([O-])N[C@H]1CCC[C@@H](C(=O)OCc2n[nH]c(=O)[nH]2)C1	ZINC000834170874	605955342	/nfs/dbraw/zinc/95/53/42/605955342.db2.gz	WDDOSTDHMRIYIM-RQJHMYQMSA-N	-1	2	284.272	0.380	20	0		CCADLM
CC(C)(O)CONC(=O)[C@@H]1CCc2c[nH+]cn2C1	ZINC000844136967	614197100	/nfs/dbraw/zinc/19/71/00/614197100.db2.gz	LXFYLXMVPMPXRA-SECBINFHSA-N	-1	2	253.302	0.264	20	0		CCADLM
CC(C)N(CCC(=O)[O-])C(=O)C[C@H]1SC(=N)NC1=O	ZINC000826940346	614291032	/nfs/dbraw/zinc/29/10/32/614291032.db2.gz	MUJNPJWAGXHJBM-SSDOTTSWSA-N	-1	2	287.341	0.255	20	0		CCADLM
CCOC[C@@H](O)C[N@H+]1CCC[C@H]1c1ncc(OC)c(=O)[nH]1	ZINC000934276474	615306487	/nfs/dbraw/zinc/30/64/87/615306487.db2.gz	NHCMMGGEAYPQPM-QWRGUYRKSA-N	-1	2	297.355	0.725	20	0		CCADLM
CCO[N-]C(=O)CNC(=O)c1cc(F)c(O)c(F)c1	ZINC000846493153	615371041	/nfs/dbraw/zinc/37/10/41/615371041.db2.gz	PNCWQHAZLMQIAB-UHFFFAOYSA-N	-1	2	274.223	0.468	20	0		CCADLM
CN(CC[NH+]1CCOCC1)c1ccc(-c2nn[nH]n2)nc1	ZINC000821602557	616090087	/nfs/dbraw/zinc/09/00/87/616090087.db2.gz	IDZMSGFSENAQBK-UHFFFAOYSA-N	-1	2	289.343	0.030	20	0		CCADLM
C[N@@H+]1CCO[C@H](CNc2ccc(-c3nn[nH]n3)nc2)C1	ZINC000821629153	616262735	/nfs/dbraw/zinc/26/27/35/616262735.db2.gz	ZXCZUBJICMVBQE-SNVBAGLBSA-N	-1	2	275.316	0.004	20	0		CCADLM
C[N@H+]1CCO[C@H](CNc2ccc(-c3nn[nH]n3)nc2)C1	ZINC000821629153	616262736	/nfs/dbraw/zinc/26/27/36/616262736.db2.gz	ZXCZUBJICMVBQE-SNVBAGLBSA-N	-1	2	275.316	0.004	20	0		CCADLM
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC/C=C/Cl	ZINC000900309581	633988088	/nfs/dbraw/zinc/98/80/88/633988088.db2.gz	CPPGJPNDYRWIKD-DZZRMOGLSA-N	-1	2	250.657	0.946	20	0		CCADLM
Cc1noc(C2CC2)c1C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000854612535	644235395	/nfs/dbraw/zinc/23/53/95/644235395.db2.gz	IGTYTQPQXLSAEI-UHFFFAOYSA-N	-1	2	265.229	0.247	20	0		CCADLM
CCc1nc(NC(=O)c2cnc(SC)[nH]c2=O)n[nH]1	ZINC001362513238	928118343	/nfs/dbraw/zinc/11/83/43/928118343.db2.gz	BDOHVXWQKRIDRJ-UHFFFAOYSA-N	-1	2	280.313	0.837	20	0		CCADLM
CCc1n[nH]c(NC(=O)c2cnc(SC)[nH]c2=O)n1	ZINC001362513238	928118351	/nfs/dbraw/zinc/11/83/51/928118351.db2.gz	BDOHVXWQKRIDRJ-UHFFFAOYSA-N	-1	2	280.313	0.837	20	0		CCADLM
O=C([O-])[C@@H](Cc1ccncc1)NC(=O)C(F)(F)F	ZINC000257721051	950033146	/nfs/dbraw/zinc/03/31/46/950033146.db2.gz	VOGAOHYAYFWPQL-SSDOTTSWSA-N	-1	2	262.187	0.756	20	0		CCADLM
C[C@]1(C(=O)[O-])CCCN1C(=O)C[C@H]1SC(=N)NC1=O	ZINC001589183456	956546358	/nfs/dbraw/zinc/54/63/58/956546358.db2.gz	CHJLLQFMXLZNDZ-KSBSHMNSSA-N	-1	2	285.325	0.009	20	0		CCADLM
C[C@]1(C(=O)[O-])CCCN1C(=O)C[C@@H]1SC(=N)NC1=O	ZINC001589183457	956546631	/nfs/dbraw/zinc/54/66/31/956546631.db2.gz	CHJLLQFMXLZNDZ-UPONEAKYSA-N	-1	2	285.325	0.009	20	0		CCADLM
C[C@H](C(=O)[O-])N(C(=O)C[C@@H]1SC(=N)NC1=O)C1CC1	ZINC001588585216	959301283	/nfs/dbraw/zinc/30/12/83/959301283.db2.gz	ZCRLUTGZMFJFAF-VDTYLAMSSA-N	-1	2	285.325	0.007	20	0		CCADLM
CCN(C(=O)C[C@@H]1SC(=N)NC1=O)C(C)(C)C(=O)[O-]	ZINC001596134073	983483204	/nfs/dbraw/zinc/48/32/04/983483204.db2.gz	RGBZKTDLAFAOPJ-LURJTMIESA-N	-1	2	287.341	0.255	20	0		CCADLM
CC(C)(C)C[C@@H](NC(=O)CCc1ncn[nH]1)C(=O)[O-]	ZINC001589745876	988044285	/nfs/dbraw/zinc/04/42/85/988044285.db2.gz	VLYIWYNBOYEWHZ-MRVPVSSYSA-N	-1	2	268.317	0.743	20	0		CCADLM
CC(C)(CF)NS(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001590701682	990418550	/nfs/dbraw/zinc/41/85/50/990418550.db2.gz	OBTKUTGBKFRGLO-UHFFFAOYSA-N	-1	2	266.250	0.399	20	0		CCADLM
COc1ccc(NC(=O)NCCc2n[n-]c(=N)o2)cc1	ZINC000346642971	137296321	/nfs/dbraw/zinc/29/63/21/137296321.db2.gz	MZMONEBCNFTBDN-UHFFFAOYSA-N	-1	2	277.284	0.855	20	0		CCADLM
CCO[C@@H]1COCC[C@@H]1NC(=O)N=c1ccc(OC)n[n-]1	ZINC000346677046	137299178	/nfs/dbraw/zinc/29/91/78/137299178.db2.gz	UYRICFRRZFVCJG-VHSXEESVSA-N	-1	2	296.327	0.223	20	0		CCADLM
O=C([O-])Cc1cccc(NS(=O)(=O)c2cn[nH]c2)c1	ZINC000087844871	349353837	/nfs/dbraw/zinc/35/38/37/349353837.db2.gz	PTLBLCFCVKTVDD-UHFFFAOYSA-N	-1	2	281.293	0.838	20	0		CCADLM
Cc1cc(=NC(=O)NC[C@H]2CCC[N@H+]2C)[nH]nc1C	ZINC000531814055	358482422	/nfs/dbraw/zinc/48/24/22/358482422.db2.gz	MCLUJSZSOZELCP-LLVKDONJSA-N	-1	2	263.345	0.731	20	0		CCADLM
C[C@@H](C(=O)N=c1cc2ccccn2[nH]1)N1CC[NH+](C)CC1	ZINC000557529387	291035210	/nfs/dbraw/zinc/03/52/10/291035210.db2.gz	HMSDAPBMSHKBRF-LBPRGKRZSA-N	-1	2	287.367	0.331	20	0		CCADLM
COC(=O)CC1([NH2+]Cc2n[nH]c(=O)[nH]2)CCCC1	ZINC000338330283	355322595	/nfs/dbraw/zinc/32/25/95/355322595.db2.gz	COUYFCVHDXXBTG-UHFFFAOYSA-N	-1	2	254.290	0.476	20	0		CCADLM
CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)C(=O)[O-]	ZINC000354970363	356540496	/nfs/dbraw/zinc/54/04/96/356540496.db2.gz	RRAGYDRTCGQFED-UHFFFAOYSA-N	-1	2	267.266	0.440	20	0		CCADLM
O=C1NC(=O)N2CC[N@H+](Cc3cncs3)C[C@@H]12	ZINC000329272028	202260598	/nfs/dbraw/zinc/26/05/98/202260598.db2.gz	IJHDUHBLZUSPFK-QMMMGPOBSA-N	-1	2	252.299	0.719	20	0		CCADLM
O=c1[nH]nc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)[nH]1	ZINC000329338042	202290204	/nfs/dbraw/zinc/29/02/04/202290204.db2.gz	YMMYLCRKBATOEX-UHFFFAOYSA-N	-1	2	295.387	0.445	20	0		CCADLM
O=c1[nH]nc([C@H]2CCC[N@@H+](CC3(O)CCC3)C2)[nH]1	ZINC000329669735	389185846	/nfs/dbraw/zinc/18/58/46/389185846.db2.gz	SOUJQZVLHZUJRG-VIFPVBQESA-N	-1	2	252.318	0.605	20	0		CCADLM
C[C@H](c1nncn1C)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC000329627278	389178793	/nfs/dbraw/zinc/17/87/93/389178793.db2.gz	GWOHQNFQDWDQII-BDAKNGLRSA-N	-1	2	277.332	0.579	20	0		CCADLM
CN(CC(C)(C)C)C(=O)NC[C@H](CC(=O)[O-])C(=O)O	ZINC000549017584	286084153	/nfs/dbraw/zinc/08/41/53/286084153.db2.gz	SWLRRWBQLYXIJS-QMMMGPOBSA-N	-1	2	274.317	0.849	20	0		CCADLM
CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2n[nH]c(=O)o2)CC1	ZINC000660845950	414504537	/nfs/dbraw/zinc/50/45/37/414504537.db2.gz	VQJXBODFTVRXQE-UHFFFAOYSA-N	-1	2	297.403	0.623	20	0		CCADLM
O=C([O-])C[C@@H](NC(=O)C1=NNC(=O)C1)c1cccs1	ZINC000739625995	581583697	/nfs/dbraw/zinc/58/36/97/581583697.db2.gz	DDJNLDTVOICDNB-ZCFIWIBFSA-N	-1	2	281.293	0.256	20	0		CCADLM
Cc1n[nH]c(C(=O)N[C@H](c2nn[nH]n2)c2ccccc2)c1[O-]	ZINC000749207572	581999666	/nfs/dbraw/zinc/99/96/66/581999666.db2.gz	HNJWBYDDTMTTLD-VIFPVBQESA-N	-1	2	299.294	0.456	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N2CCC[C@H](CC(=O)[O-])C2)n1	ZINC000818981251	597096215	/nfs/dbraw/zinc/09/62/15/597096215.db2.gz	CMLGIWDVEJWABP-SECBINFHSA-N	-1	2	298.368	0.919	20	0		CCADLM
Cc1n[nH]cc1S(=O)(=O)Nc1csnc1C(=O)[O-]	ZINC000832848477	602201749	/nfs/dbraw/zinc/20/17/49/602201749.db2.gz	FTLXGOVIHQNLJG-UHFFFAOYSA-N	-1	2	288.310	0.674	20	0		CCADLM
NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1	ZINC000826390124	608501567	/nfs/dbraw/zinc/50/15/67/608501567.db2.gz	QMVHWOAZXPEZIZ-SECBINFHSA-N	-1	2	292.368	0.768	20	0		CCADLM
NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1	ZINC000826390124	608501569	/nfs/dbraw/zinc/50/15/69/608501569.db2.gz	QMVHWOAZXPEZIZ-SECBINFHSA-N	-1	2	292.368	0.768	20	0		CCADLM
CC(C)C[C@@H](NC(=O)C[C@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC000817863283	614194242	/nfs/dbraw/zinc/19/42/42/614194242.db2.gz	CGTDNKOFGWWEQC-RNFRBKRXSA-N	-1	2	287.341	0.158	20	0		CCADLM
CC(C)C[C@@H](NC(=O)[O-])C(=O)NCCCc1n[nH]c(=O)[nH]1	ZINC000824211609	614194919	/nfs/dbraw/zinc/19/49/19/614194919.db2.gz	RDCRUMHNGWZYRO-MRVPVSSYSA-N	-1	2	299.331	0.241	20	0		CCADLM
CC(=O)c1csc(C(=O)Nn2c(=O)[n-][nH]c2=O)c1	ZINC000816731594	614269248	/nfs/dbraw/zinc/26/92/48/614269248.db2.gz	XQYPMVGRISZQES-UHFFFAOYSA-N	-1	2	268.254	0.337	20	0		CCADLM
CC(C)c1ncsc1C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000854612288	614330723	/nfs/dbraw/zinc/33/07/23/614330723.db2.gz	LOHZGKLZLBGVSM-UHFFFAOYSA-N	-1	2	269.286	0.653	20	0		CCADLM
CC[C@@]1(C(=O)OCc2n[nH]c(=O)[nH]2)CCCN1C(=O)[O-]	ZINC000833845364	615596107	/nfs/dbraw/zinc/59/61/07/615596107.db2.gz	MDJCGOANQCRMKU-NSHDSACASA-N	-1	2	284.272	0.476	20	0		CCADLM
C[N@@H+]1CCO[C@@H](CNc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC000736868548	616255552	/nfs/dbraw/zinc/25/55/52/616255552.db2.gz	STHMRVCWSSCWPI-JTQLQIEISA-N	-1	2	292.318	0.748	20	0		CCADLM
Cc1nc(C(=O)Nn2c(=O)[n-][nH]c2=O)c(C)s1	ZINC000816734412	641207531	/nfs/dbraw/zinc/20/75/31/641207531.db2.gz	NJZDZZMGFYURTG-UHFFFAOYSA-N	-1	2	255.259	0.147	20	0		CCADLM
Nc1ncc(-c2ccc([P@@](=O)([O-])O)cc2)cn1	ZINC001243876995	807045531	/nfs/dbraw/zinc/04/55/31/807045531.db2.gz	BTWCRJBBZZVZIY-UHFFFAOYSA-N	-1	2	251.182	0.529	20	0		CCADLM
Nc1ncc(-c2ccc([P@](=O)([O-])O)cc2)cn1	ZINC001243876995	807045540	/nfs/dbraw/zinc/04/55/40/807045540.db2.gz	BTWCRJBBZZVZIY-UHFFFAOYSA-N	-1	2	251.182	0.529	20	0		CCADLM
Cn1cnc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)n1	ZINC001260182433	808856231	/nfs/dbraw/zinc/85/62/31/808856231.db2.gz	ASYPKOFCAQRVBD-UHFFFAOYSA-N	-1	2	282.281	0.314	20	0		CCADLM
O=C(N[C@H]1SC(=O)NC1=O)c1ccc(F)c(F)c1[O-]	ZINC001192811807	845914206	/nfs/dbraw/zinc/91/42/06/845914206.db2.gz	VMIQFRKUGCYPLR-VIFPVBQESA-N	-1	2	288.231	0.709	20	0		CCADLM
CC(C)CN(Cc1nn[nH]n1)C(=O)C[NH+]1CCC(C)CC1	ZINC001413503950	902996519	/nfs/dbraw/zinc/99/65/19/902996519.db2.gz	NTAVWWUERBVEPQ-UHFFFAOYSA-N	-1	2	294.403	0.916	20	0		CCADLM
O=C(NC1(c2nn[n-]n2)CCC1)c1ccc(O)c(F)c1	ZINC001413511304	903004578	/nfs/dbraw/zinc/00/45/78/903004578.db2.gz	SCOKJSHDFYRKED-UHFFFAOYSA-N	-1	2	277.259	0.854	20	0		CCADLM
CC(C)Cc1ncc(C(=O)Nn2c(=O)[n-][nH]c2=O)s1	ZINC001362499467	928102909	/nfs/dbraw/zinc/10/29/09/928102909.db2.gz	DEAFOXCDVXMIHB-UHFFFAOYSA-N	-1	2	283.313	0.728	20	0		CCADLM
Cc1n[nH]c(C(=O)NCCc2n[nH]c(=S)o2)c1[O-]	ZINC001448071281	930806868	/nfs/dbraw/zinc/80/68/68/930806868.db2.gz	QXAMNJXWAWOZGN-UHFFFAOYSA-N	-1	2	269.286	0.068	20	0		CCADLM
COCCN(CC(=O)[O-])C(=O)C(F)C(F)(F)F	ZINC001611005109	970844353	/nfs/dbraw/zinc/84/43/53/970844353.db2.gz	NONCKESCKHLPIC-LURJTMIESA-N	-1	2	261.171	0.446	20	0		CCADLM
COCCN(CC(=O)[O-])C(=O)[C@H](F)C(F)(F)F	ZINC001611005109	970844373	/nfs/dbraw/zinc/84/43/73/970844373.db2.gz	NONCKESCKHLPIC-LURJTMIESA-N	-1	2	261.171	0.446	20	0		CCADLM
O=C([O-])[C@@H](C(=O)NOC[C@@H]1CCOC1)C1CCCC1	ZINC001594835384	954022689	/nfs/dbraw/zinc/02/26/89/954022689.db2.gz	GYFGDSLMHSGFSP-MWLCHTKSSA-N	-1	2	271.313	0.962	20	0		CCADLM
O=C([O-])C1(NC(=O)C(F)C(F)(F)F)CCOCC1	ZINC001594723804	956982166	/nfs/dbraw/zinc/98/21/66/956982166.db2.gz	KVDHEFDQXYTZRX-RXMQYKEDSA-N	-1	2	273.182	0.637	20	0		CCADLM
O=C([O-])C1(NC(=O)[C@@H](F)C(F)(F)F)CCOCC1	ZINC001594723804	956982177	/nfs/dbraw/zinc/98/21/77/956982177.db2.gz	KVDHEFDQXYTZRX-RXMQYKEDSA-N	-1	2	273.182	0.637	20	0		CCADLM
C[C@@H](NC(=O)C1(C(=O)[O-])CC=CC1)C1=NN(C)CC1=O	ZINC001603215628	972328621	/nfs/dbraw/zinc/32/86/21/972328621.db2.gz	JAJADHFVDKOKOT-MRVPVSSYSA-N	-1	2	279.296	0.724	20	0		CCADLM
C[C@@H](NC(=O)C1(C(=O)[O-])CC=CC1)c1nn(C)cc1O	ZINC001603215628	972328626	/nfs/dbraw/zinc/32/86/26/972328626.db2.gz	JAJADHFVDKOKOT-MRVPVSSYSA-N	-1	2	279.296	0.724	20	0		CCADLM
C[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1nn(C)cc1O	ZINC001573622426	959519667	/nfs/dbraw/zinc/51/96/67/959519667.db2.gz	KAZGJFKLULWFAV-ZETCQYMHSA-N	-1	2	290.279	0.710	20	0		CCADLM
C[C@@H](CC(=O)[O-])C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC001592341853	977792096	/nfs/dbraw/zinc/79/20/96/977792096.db2.gz	GRNHNKHTEGHORF-YUMQZZPRSA-N	-1	2	282.300	0.327	20	0		CCADLM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)C(F)C(F)(F)F	ZINC001598891662	997004136	/nfs/dbraw/zinc/00/41/36/997004136.db2.gz	RHITUSIMXCJDET-INEUFUBQSA-N	-1	2	289.181	0.409	20	0		CCADLM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H](F)C(F)(F)F	ZINC001598891662	997004148	/nfs/dbraw/zinc/00/41/48/997004148.db2.gz	RHITUSIMXCJDET-INEUFUBQSA-N	-1	2	289.181	0.409	20	0		CCADLM
Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cn1	ZINC000360512304	357033294	/nfs/dbraw/zinc/03/32/94/357033294.db2.gz	BNZIWZQUYLKLOW-UHFFFAOYSA-N	-1	2	297.292	0.625	20	0		CCADLM
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC(F)(F)F)C1	ZINC000567808098	358588593	/nfs/dbraw/zinc/58/85/93/358588593.db2.gz	FNAVVUNNLUXLFP-RITPCOANSA-N	-1	2	275.248	0.721	20	0		CCADLM
CCn1cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cn1	ZINC000329553528	202380382	/nfs/dbraw/zinc/38/03/82/202380382.db2.gz	GKIXLPYOFICOOZ-JTQLQIEISA-N	-1	2	263.301	0.479	20	0		CCADLM
O=C([O-])c1ccc(-n2[nH]c([C@@H]3CCOC3)cc2=O)nc1	ZINC000634609272	372096341	/nfs/dbraw/zinc/09/63/41/372096341.db2.gz	AOILAVHBTRVEQE-SECBINFHSA-N	-1	2	275.264	0.909	20	0		CCADLM
COC[C@@]1(C(=O)[O-])CCN(c2cccc(C(=O)[O-])[nH+]2)C1	ZINC000634965661	372317161	/nfs/dbraw/zinc/31/71/61/372317161.db2.gz	QFEDDLDBGIURLD-CYBMUJFWSA-N	-1	2	280.280	0.707	20	0		CCADLM
C[C@@H](NC(=O)c1cccc2[nH]nnc21)C(=O)N(C)C	ZINC000526114861	390676797	/nfs/dbraw/zinc/67/67/97/390676797.db2.gz	ZARZVHHUXVIAQU-SSDOTTSWSA-N	-1	2	261.285	0.164	20	0		CCADLM
C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2cccc3[nH]nnc32)CC1=O	ZINC000526115393	390677038	/nfs/dbraw/zinc/67/70/38/390677038.db2.gz	ADYMAOKPKJPFJR-LNLATYFQSA-N	-1	2	299.334	0.697	20	0		CCADLM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)C(F)(F)F	ZINC000006384973	170196922	/nfs/dbraw/zinc/19/69/22/170196922.db2.gz	LQZDXJJDSZEPFX-BYPYZUCNSA-N	-1	2	257.164	0.071	20	0		CCADLM
CC(C)(C)CN(CC(=O)[O-])C(=O)CCc1ncn[nH]1	ZINC000659781298	413871708	/nfs/dbraw/zinc/87/17/08/413871708.db2.gz	HCXPONPUILNLAP-UHFFFAOYSA-N	-1	2	268.317	0.697	20	0		CCADLM
O=C([O-])[C@@H](C(=O)NCc1n[nH]c(=O)[nH]1)C1CCCC1	ZINC000663093264	414981015	/nfs/dbraw/zinc/98/10/15/414981015.db2.gz	WJJXDGQJCQLPOM-MRVPVSSYSA-N	-1	2	268.273	0.018	20	0		CCADLM
Cc1cnc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)s1	ZINC000192662955	262207606	/nfs/dbraw/zinc/20/76/06/262207606.db2.gz	HIMXMBVUTKMKFT-LBPRGKRZSA-N	-1	2	280.353	0.626	20	0		CCADLM
O=C(C[NH+]1CCC2(CCCC2)CC1)Nc1nn[nH]n1	ZINC000576720334	335240159	/nfs/dbraw/zinc/24/01/59/335240159.db2.gz	BRXHLYDLZCJJPK-UHFFFAOYSA-N	-1	2	264.333	0.794	20	0		CCADLM
O=C(c1cccc2cn[nH]c21)N1CCO[C@H](c2nn[nH]n2)C1	ZINC000731854335	581783102	/nfs/dbraw/zinc/78/31/02/581783102.db2.gz	YWQDVAQRRDKOEL-JTQLQIEISA-N	-1	2	299.294	0.290	20	0		CCADLM
Cc1ccc(NC(=O)NCc2n[nH]c(=O)[nH]2)cc1C(=O)[O-]	ZINC000392351755	602366213	/nfs/dbraw/zinc/36/62/13/602366213.db2.gz	JBKKRMSIOWFRBD-UHFFFAOYSA-N	-1	2	291.267	0.839	20	0		CCADLM
Cc1n[nH]c(NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)n1	ZINC000830770283	603660196	/nfs/dbraw/zinc/66/01/96/603660196.db2.gz	PSAARSNNNNOUPI-RQJHMYQMSA-N	-1	2	253.262	0.488	20	0		CCADLM
CSC[C@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-]	ZINC000906005462	617255785	/nfs/dbraw/zinc/25/57/85/617255785.db2.gz	RCEZJOUTCIEXTE-WHFBIAKZSA-N	-1	2	295.304	0.673	20	0		CCADLM
COc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)nc1	ZINC000832413391	617271908	/nfs/dbraw/zinc/27/19/08/617271908.db2.gz	ULRZJAZVEOKICY-UHFFFAOYSA-N	-1	2	297.292	0.917	20	0		CCADLM
COC(=O)CCCO[N-]C(=O)C1=NNC(C)C1=O	ZINC000811561985	616540969	/nfs/dbraw/zinc/54/09/69/616540969.db2.gz	DZXBZEOGWMWWGQ-UHFFFAOYSA-N	-1	2	257.246	0.038	20	0		CCADLM
C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)c2ccccc2O)C1	ZINC001006768920	631079261	/nfs/dbraw/zinc/07/92/61/631079261.db2.gz	YRKHFLAXJXOOTC-MNOVXSKESA-N	-1	2	291.351	0.460	20	0		CCADLM
O=C([O-])[C@H](CF)NC(=O)NC[C@]12C[C@H]1COC21CCC1	ZINC000900309381	633987739	/nfs/dbraw/zinc/98/77/39/633987739.db2.gz	ZSWPXSKRCVAMOQ-HOTUBEGUSA-N	-1	2	286.303	0.668	20	0		CCADLM
Cn1cnc(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])c1	ZINC000900308569	633987810	/nfs/dbraw/zinc/98/78/10/633987810.db2.gz	KTQRLZIWLPGIEQ-RNCFNFMXSA-N	-1	2	278.312	0.569	20	0		CCADLM
Cc1ncccc1CCNC(=O)N[C@H](CF)C(=O)[O-]	ZINC000900311011	633988309	/nfs/dbraw/zinc/98/83/09/633988309.db2.gz	PZGWTUMHSNFCAG-SNVBAGLBSA-N	-1	2	269.276	0.654	20	0		CCADLM
C[N@@H+]1CCC=C(Nc2c(N)[nH]c(=S)[nH]c2=O)C1	ZINC001175576603	842263505	/nfs/dbraw/zinc/26/35/05/842263505.db2.gz	JPSRGTNYFOLHDD-UHFFFAOYSA-N	-1	2	253.331	0.684	20	0		CCADLM
O=C(N[C@@H]1SC(=O)NC1=O)c1c(F)ccc(F)c1[O-]	ZINC001192716165	845900815	/nfs/dbraw/zinc/90/08/15/845900815.db2.gz	IKRFLRKVXVOGHY-SECBINFHSA-N	-1	2	288.231	0.709	20	0		CCADLM
O=C(Nn1c(=O)[n-][nH]c1=O)c1cc2ncccc2o1	ZINC001450459839	931292262	/nfs/dbraw/zinc/29/22/62/931292262.db2.gz	HBIFPOBQBVDUTH-UHFFFAOYSA-N	-1	2	261.197	0.214	20	0		CCADLM
O=C([O-])C1(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)CC1	ZINC001594850681	954181686	/nfs/dbraw/zinc/18/16/86/954181686.db2.gz	MZARMIMZTSCGAS-SSDOTTSWSA-N	-1	2	280.284	0.081	20	0		CCADLM
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)O[C@@H](C)C(=O)[O-]	ZINC001589159998	956400947	/nfs/dbraw/zinc/40/09/47/956400947.db2.gz	XGMXDWXUGTZJOX-WDSKDSINSA-N	-1	2	285.218	0.706	20	0		CCADLM
O=C([O-])Cc1ccc(S(=O)(=O)Nc2cn[nH]c2)cc1	ZINC000035764139	957222594	/nfs/dbraw/zinc/22/25/94/957222594.db2.gz	XHMJZUFYVKIZPD-UHFFFAOYSA-N	-1	2	281.293	0.838	20	0		CCADLM
C[C@](O)(CNC(=O)c1c(O)cc(F)cc1F)C(=O)[O-]	ZINC001603261633	972446715	/nfs/dbraw/zinc/44/67/15/972446715.db2.gz	MURGFXJKUFLALM-NSHDSACASA-N	-1	2	275.207	0.236	20	0		CCADLM
O=C([O-])[C@H]1c2ccccc2OCC[N@H+]1Cc1n[nH]c(=O)[n-]1	ZINC001571038223	960549085	/nfs/dbraw/zinc/54/90/85/960549085.db2.gz	IZBCYUQRFKMOBZ-LLVKDONJSA-N	-1	2	290.279	0.531	20	0		CCADLM
O=C([O-])[C@H]1c2ccccc2OCC[N@@H+]1Cc1n[nH]c(=O)[n-]1	ZINC001571038223	960549101	/nfs/dbraw/zinc/54/91/01/960549101.db2.gz	IZBCYUQRFKMOBZ-LLVKDONJSA-N	-1	2	290.279	0.531	20	0		CCADLM
CC(C)[C@H](C(=O)[O-])C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC001588802999	961436669	/nfs/dbraw/zinc/43/66/69/961436669.db2.gz	HNWSESJZMTTYRX-IUCAKERBSA-N	-1	2	296.327	0.573	20	0		CCADLM
CC[C@@H](CS(=O)(=O)NCC(F)(F)C(=O)[O-])OC	ZINC001595202043	979950733	/nfs/dbraw/zinc/95/07/33/979950733.db2.gz	ASUKGXBURHMMHP-LURJTMIESA-N	-1	2	275.273	0.051	20	0		CCADLM
C[C@H](OC(=O)C(C)(C)NC(=O)C(F)(F)F)C(=O)C(=O)[O-]	ZINC001593485293	995447554	/nfs/dbraw/zinc/44/75/54/995447554.db2.gz	QJSZWXIOXQBWMH-BYPYZUCNSA-N	-1	2	299.201	0.029	20	0		CCADLM
CC(C)(C)c1csc(CNC(=O)c2nc(=O)[nH][nH]2)n1	ZINC000104929005	349719175	/nfs/dbraw/zinc/71/91/75/349719175.db2.gz	NXFRHMUXJDATOW-UHFFFAOYSA-N	-1	2	281.341	0.782	20	0		CCADLM
CC[C@]1(O)CCN(C(=O)N=c2ccc(OC)n[n-]2)C1	ZINC000346682315	137298849	/nfs/dbraw/zinc/29/88/49/137298849.db2.gz	NFXSOIZADZHWKW-LBPRGKRZSA-N	-1	2	266.301	0.286	20	0		CCADLM
COc1ncccc1C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O	ZINC000192662422	351792337	/nfs/dbraw/zinc/79/23/37/351792337.db2.gz	RBXSWKBYTHKZQE-AWEZNQCLSA-N	-1	2	290.323	0.264	20	0		CCADLM
O=C([O-])C(=O)N1CC[NH+](Cc2cccs2)CC1	ZINC000360400698	357003792	/nfs/dbraw/zinc/00/37/92/357003792.db2.gz	PWYHQPDTRAPRPG-UHFFFAOYSA-N	-1	2	254.311	0.477	20	0		CCADLM
Cc1nc(=NCC(=O)NCC[NH+]2CCCCCC2)s[nH]1	ZINC000570385085	358852333	/nfs/dbraw/zinc/85/23/33/358852333.db2.gz	PDIXTXCWRSZWFD-UHFFFAOYSA-N	-1	2	297.428	0.673	20	0		CCADLM
Cn1nnc2c1C[C@H](C(=O)N=c1ccc(C3CC3)n[nH]1)CC2	ZINC000329626915	389178663	/nfs/dbraw/zinc/17/86/63/389178663.db2.gz	PBYOXCYRDWKKET-SNVBAGLBSA-N	-1	2	298.350	0.648	20	0		CCADLM
N=c1[n-]nc(CNC(=O)c2cc(F)c(O)c(Cl)c2)o1	ZINC000436595147	389980504	/nfs/dbraw/zinc/98/05/04/389980504.db2.gz	KMXGJTWTJGUBIH-UHFFFAOYSA-N	-1	2	286.650	0.910	20	0		CCADLM
C[C@@H]1CCN(C(=O)N=c2cccn[nH]2)C[C@H]1C(=O)[O-]	ZINC000647697460	390139864	/nfs/dbraw/zinc/13/98/64/390139864.db2.gz	LALJDQLQTKSHSW-RKDXNWHRSA-N	-1	2	264.285	0.473	20	0		CCADLM
O=C(Nc1ccc(-c2nc(=O)o[nH]2)cc1)c1n[nH]c(=O)[n-]1	ZINC000527486619	390706125	/nfs/dbraw/zinc/70/61/25/390706125.db2.gz	DTSDUMFRHKENOK-UHFFFAOYSA-N	-1	2	288.223	0.106	20	0		CCADLM
C[C@H](CNC(=O)N=c1ccc(C2CC2)n[nH]1)C(=O)[O-]	ZINC000653540900	412313548	/nfs/dbraw/zinc/31/35/48/412313548.db2.gz	YELRXKRPPIZNHT-SSDOTTSWSA-N	-1	2	264.285	0.618	20	0		CCADLM
O=C([O-])c1cccc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[nH+]1	ZINC000662886447	414868931	/nfs/dbraw/zinc/86/89/31/414868931.db2.gz	ZICCNHAPAJYPER-AMIZOPFISA-N	-1	2	278.264	0.317	20	0		CCADLM
Cn1nncc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1	ZINC000682832701	545491069	/nfs/dbraw/zinc/49/10/69/545491069.db2.gz	FENFWDPBOGMYCW-UHFFFAOYSA-N	-1	2	282.281	0.314	20	0		CCADLM
O=C([O-])NC[C@@H](NC(=O)C1=NNC(=O)C1)C1CCCCC1	ZINC000740603467	581700824	/nfs/dbraw/zinc/70/08/24/581700824.db2.gz	PEWSBCZPTOKCFM-SNVBAGLBSA-N	-1	2	296.327	0.195	20	0		CCADLM
Cn1nccc1S(=O)(=O)Nc1ccsc1C(=O)[O-]	ZINC000129733957	600093396	/nfs/dbraw/zinc/09/33/96/600093396.db2.gz	MXYLADHINDFBGS-UHFFFAOYSA-N	-1	2	287.322	0.981	20	0		CCADLM
N=C1NC(=O)[C@@H](CC(=O)NCCCCCC(=O)[O-])S1	ZINC000819124658	600848432	/nfs/dbraw/zinc/84/84/32/600848432.db2.gz	BQBGTFYYLITSMW-SSDOTTSWSA-N	-1	2	287.341	0.304	20	0		CCADLM
Cn1cc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)cn1	ZINC000833054407	601784111	/nfs/dbraw/zinc/78/41/11/601784111.db2.gz	YYRSLSZAZMFUGN-UHFFFAOYSA-N	-1	2	284.297	0.258	20	0		CCADLM
O=C([O-])Nc1cccc(CC(=O)NCc2n[nH]c(=O)[nH]2)c1	ZINC000834266415	605774404	/nfs/dbraw/zinc/77/44/04/605774404.db2.gz	ABINTASPTLJYOY-UHFFFAOYSA-N	-1	2	291.267	0.459	20	0		CCADLM
O=C([O-])Nc1ccc(C(=O)OCc2n[nH]c(=O)[nH]2)c(O)c1	ZINC000834256378	605955490	/nfs/dbraw/zinc/95/54/90/605955490.db2.gz	OSHSJQREHUNQCM-UHFFFAOYSA-N	-1	2	294.223	0.663	20	0		CCADLM
CN(C(=O)[O-])c1ccccc1C(=O)OCc1n[nH]c(=O)[nH]1	ZINC000833686109	615846210	/nfs/dbraw/zinc/84/62/10/615846210.db2.gz	XDSFEKWMYISUSG-UHFFFAOYSA-N	-1	2	292.251	0.982	20	0		CCADLM
NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1O	ZINC001024336839	623288426	/nfs/dbraw/zinc/28/84/26/623288426.db2.gz	INGFNZRAADFXKD-NSHDSACASA-N	-1	2	291.351	0.462	20	0		CCADLM
Cc1ncccc1CCNC(=O)N(C)CC(=O)[O-]	ZINC000900309518	633988101	/nfs/dbraw/zinc/98/81/01/633988101.db2.gz	BYTFCBNPISTHKX-UHFFFAOYSA-N	-1	2	251.286	0.659	20	0		CCADLM
Cc1ccn2c(c1)n[n-]c2=NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000088254852	649638000	/nfs/dbraw/zinc/63/80/00/649638000.db2.gz	PJYOFSKFBMCHQP-HTQZYQBOSA-N	-1	2	261.241	0.063	20	0		CCADLM
O=C(NCc1nn[n-]n1)c1cc(=O)c2cccc(O)c2[nH]1	ZINC001152680331	800548315	/nfs/dbraw/zinc/54/83/15/800548315.db2.gz	OSAZGKFBJYMMND-UHFFFAOYSA-N	-1	2	286.251	0.089	20	0		CCADLM
O=C(c1cnc2n[nH]cc2c1)N1CC[C@H](c2nnn[n-]2)C1	ZINC001153001653	800580230	/nfs/dbraw/zinc/58/02/30/800580230.db2.gz	MBGUZXNONDNIHG-ZETCQYMHSA-N	-1	2	284.283	0.101	20	0		CCADLM
O=C(c1cnc2n[nH]cc2c1)N1CC[C@H](c2nn[n-]n2)C1	ZINC001153001653	800580234	/nfs/dbraw/zinc/58/02/34/800580234.db2.gz	MBGUZXNONDNIHG-ZETCQYMHSA-N	-1	2	284.283	0.101	20	0		CCADLM
CC(=O)Nc1c(C)cc[nH+]c1NCCOP(=O)([O-])[O-]	ZINC001157790587	801485154	/nfs/dbraw/zinc/48/51/54/801485154.db2.gz	APJAPIGHXWNSOK-UHFFFAOYSA-N	-1	2	289.228	0.870	20	0		CCADLM
C[N@@H+]1CCO[C@H](COc2ccccc2-c2nn[nH]n2)C1	ZINC001229955903	805567195	/nfs/dbraw/zinc/56/71/95/805567195.db2.gz	ZWGVBYOKIZGKBF-JTQLQIEISA-N	-1	2	275.312	0.576	20	0		CCADLM
CC[N@@H+](Cc1nc(=O)n(C)[nH]1)[C@H](C)CNC(=O)C(C)C	ZINC001151942177	845614416	/nfs/dbraw/zinc/61/44/16/845614416.db2.gz	ZSRSDRCXYABZJV-SNVBAGLBSA-N	-1	2	283.376	0.091	20	0		CCADLM
O=C([O-])COc1ccc(S(=O)(=O)Nc2ncco2)cc1	ZINC001192683039	845891954	/nfs/dbraw/zinc/89/19/54/845891954.db2.gz	JUFMJCZBDRDXQT-UHFFFAOYSA-N	-1	2	298.276	0.939	20	0		CCADLM
O=C(c1cncc(O)c1)N1CCC[C@H](Cc2nn[n-]n2)C1	ZINC001413567846	903057830	/nfs/dbraw/zinc/05/78/30/903057830.db2.gz	ZYVBZJDLTKPMKR-SECBINFHSA-N	-1	2	288.311	0.395	20	0		CCADLM
O=C(NCc1nc(=O)o[n-]1)c1cccc(Cl)c1O	ZINC001320082181	910454108	/nfs/dbraw/zinc/45/41/08/910454108.db2.gz	MKXAPWCNOMAVPE-UHFFFAOYSA-N	-1	2	269.644	0.652	20	0		CCADLM
COc1ccc(=NC(=O)NCC2([C@H](O)C(C)C)CC2)[n-]n1	ZINC000346638680	137296577	/nfs/dbraw/zinc/29/65/77/137296577.db2.gz	SAJHRRDBNNBWEN-GFCCVEGCSA-N	-1	2	294.355	0.826	20	0		CCADLM
Cn1nccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1	ZINC000134278486	350359103	/nfs/dbraw/zinc/35/91/03/350359103.db2.gz	ATINGCXNWFGBFF-UHFFFAOYSA-N	-1	2	281.293	0.919	20	0		CCADLM
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cn[nH]c1	ZINC000111309578	186394482	/nfs/dbraw/zinc/39/44/82/186394482.db2.gz	OUZLCRZXNCXDHO-UHFFFAOYSA-N	-1	2	297.292	0.917	20	0		CCADLM
COC(=O)CC[N@H+]1CCN(Cc2ncccc2O)[C@H](C)C1	ZINC000558404854	291053708	/nfs/dbraw/zinc/05/37/08/291053708.db2.gz	KMBUWASEQOXPPI-GFCCVEGCSA-N	-1	2	293.367	0.856	20	0		CCADLM
C[N@@H+]1CCCN(C(=O)N=c2ncn(C(C)(C)C)[nH]2)CC1	ZINC000329767555	389197975	/nfs/dbraw/zinc/19/79/75/389197975.db2.gz	ZRVFOKFRACTTCN-UHFFFAOYSA-N	-1	2	280.376	0.624	20	0		CCADLM
C[N@@H+]1C[C@@H]2CCCN(C(=O)N=c3cccn[nH]3)[C@@H]2C1	ZINC000645001850	390360557	/nfs/dbraw/zinc/36/05/57/390360557.db2.gz	OKXOBDSAHADLJJ-WDEREUQCSA-N	-1	2	261.329	0.456	20	0		CCADLM
NC(=O)c1ccc(CNC(=O)c2cccc3[nH]nnc32)cn1	ZINC000526115234	390676880	/nfs/dbraw/zinc/67/68/80/390676880.db2.gz	MKYKMABDTHFLRQ-UHFFFAOYSA-N	-1	2	296.290	0.382	20	0		CCADLM
N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)[C@@H]1CCCS1(=O)=O	ZINC000572256316	390775099	/nfs/dbraw/zinc/77/50/99/390775099.db2.gz	IOVREQTWKFCXST-VIFPVBQESA-N	-1	2	294.336	0.096	20	0		CCADLM
Cc1cc(=NC(O)=C2CCCS2(=O)=O)[nH]n1C(C)C	ZINC000572375608	390780579	/nfs/dbraw/zinc/78/05/79/390780579.db2.gz	QTXJEVYOFVPHNL-SNVBAGLBSA-N	-1	2	285.369	0.710	20	0		CCADLM
C[NH+](C)[C@H](CN=c1nc2[nH][nH]cc-2c(N)n1)c1ccco1	ZINC000341912964	130125602	/nfs/dbraw/zinc/12/56/02/130125602.db2.gz	AEVDJEZFSJFPAV-SECBINFHSA-N	-1	2	287.327	0.447	20	0		CCADLM
Cc1nc(=NC(=O)NC2(CC(=O)[O-])CCC2)[nH]n1C	ZINC000649544166	397631719	/nfs/dbraw/zinc/63/17/19/397631719.db2.gz	LPXAHMAHPGCQEA-UHFFFAOYSA-N	-1	2	267.289	0.064	20	0		CCADLM
Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cn1	ZINC000035239299	172077197	/nfs/dbraw/zinc/07/71/97/172077197.db2.gz	YLXFYHFXQQPHIK-UHFFFAOYSA-N	-1	2	284.297	0.258	20	0		CCADLM
C[C@H](CC(=O)[O-])NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000427744615	533698635	/nfs/dbraw/zinc/69/86/35/533698635.db2.gz	VUPXBGDPOGFNPQ-RXMQYKEDSA-N	-1	2	292.251	0.029	20	0		CCADLM
O=C([N-]OCc1ccccc1)c1n[nH]c(=O)[nH]c1=O	ZINC000765471928	581517849	/nfs/dbraw/zinc/51/78/49/581517849.db2.gz	NDFZSMUTGIBMSO-UHFFFAOYSA-N	-1	2	262.225	0.144	20	0		CCADLM
COCCS(=O)(=O)Nc1nc(C)c(C(=O)[O-])s1	ZINC000737823144	581834687	/nfs/dbraw/zinc/83/46/87/581834687.db2.gz	GBKNBWVSWSQKJD-UHFFFAOYSA-N	-1	2	280.327	0.538	20	0		CCADLM
O=C([O-])NCCC(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1	ZINC000738655568	582068921	/nfs/dbraw/zinc/06/89/21/582068921.db2.gz	KIYJPSSOARZERT-UHFFFAOYSA-N	-1	2	292.251	0.626	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N2CCC[C@@H](CC(=O)[O-])C2)n1	ZINC000818981263	597095998	/nfs/dbraw/zinc/09/59/98/597095998.db2.gz	CMLGIWDVEJWABP-VIFPVBQESA-N	-1	2	298.368	0.919	20	0		CCADLM
C[NH+](C)C1(C(=O)N[C@@H](c2nn[nH]n2)c2ccccc2)CC1	ZINC000913437630	615844347	/nfs/dbraw/zinc/84/43/47/615844347.db2.gz	OAVLFTORTORQGR-LLVKDONJSA-N	-1	2	286.339	0.500	20	0		CCADLM
CC[C@](C)(CC(=O)[O-])NC(=O)C[C@H]1SC(=N)NC1=O	ZINC000828617615	615943101	/nfs/dbraw/zinc/94/31/01/615943101.db2.gz	HPWCAJQKHVSSPU-KSBSHMNSSA-N	-1	2	287.341	0.302	20	0		CCADLM
COC(=O)CCCON=C(O)N=c1cn[n-]s1	ZINC000808846841	616538405	/nfs/dbraw/zinc/53/84/05/616538405.db2.gz	PCUNIQPZQBLHRR-UHFFFAOYSA-N	-1	2	260.275	0.544	20	0		CCADLM
Cn1cnc(CNC(=O)N[C@H](CC2CC2)C(=O)[O-])c1	ZINC000900308963	633988121	/nfs/dbraw/zinc/98/81/21/633988121.db2.gz	RQKZYUQGDBJKCP-SNVBAGLBSA-N	-1	2	266.301	0.473	20	0		CCADLM
O=C([O-])CC[C@@H]1C[C@@H](C(=O)NO[C@H]2CCCCO2)CO1	ZINC000901981537	634295677	/nfs/dbraw/zinc/29/56/77/634295677.db2.gz	DTLUVGHUMJBVEP-FOGDFJRCSA-N	-1	2	287.312	0.831	20	0		CCADLM
O=C(Nn1c(=O)[n-][nH]c1=O)c1sccc1OC(F)F	ZINC000816733909	641206819	/nfs/dbraw/zinc/20/68/19/641206819.db2.gz	QOMRYIAGJKEBAU-UHFFFAOYSA-N	-1	2	292.223	0.736	20	0		CCADLM
COc1ccc(C)[nH+]c1NCCOP(=O)([O-])[O-]	ZINC001157790686	801485975	/nfs/dbraw/zinc/48/59/75/801485975.db2.gz	DAJBOYYGLSSAQE-UHFFFAOYSA-N	-1	2	262.202	0.920	20	0		CCADLM
COC(=O)CS(=O)(=O)[N-]c1ccc(F)c(F)c1O	ZINC001259025886	808723041	/nfs/dbraw/zinc/72/30/41/808723041.db2.gz	DIGLPCGTVRVNDM-UHFFFAOYSA-N	-1	2	281.236	0.585	20	0		CCADLM
Cc1cc(C(=O)OC(C)C)cnc1-n1[nH]c(=O)nc1C[NH3+]	ZINC001168756984	819309210	/nfs/dbraw/zinc/30/92/10/819309210.db2.gz	ZGIQLVVTDSVGCO-UHFFFAOYSA-N	-1	2	291.311	0.700	20	0		CCADLM
Cn1c(=O)cc(Nc2ccc([P@@](=O)([O-])O)cc2)[nH]c1=O	ZINC001170006318	836687818	/nfs/dbraw/zinc/68/78/18/836687818.db2.gz	VZFUMTUHKYMDBK-UHFFFAOYSA-N	-1	2	297.207	0.033	20	0		CCADLM
Cn1c(=O)cc(Nc2ccc([P@](=O)([O-])O)cc2)[nH]c1=O	ZINC001170006318	836687824	/nfs/dbraw/zinc/68/78/24/836687824.db2.gz	VZFUMTUHKYMDBK-UHFFFAOYSA-N	-1	2	297.207	0.033	20	0		CCADLM
O=C1Cc2c[nH+]c(NCCOP(=O)([O-])[O-])cc2N1	ZINC001168588084	897701113	/nfs/dbraw/zinc/70/11/13/897701113.db2.gz	YTDKNETUCLBYMN-UHFFFAOYSA-N	-1	2	273.185	0.097	20	0		CCADLM
CC[C@H](C[N@H+](C)CCNC(=O)c1n[nH]c(C)c1[O-])OC	ZINC001403549184	917800815	/nfs/dbraw/zinc/80/08/15/917800815.db2.gz	YCFOFSOKURYNKJ-SNVBAGLBSA-N	-1	2	284.360	0.510	20	0		CCADLM
O=C(Nn1c(=O)[n-][nH]c1=O)c1cc2c(o1)CCCC2	ZINC001450459518	931292229	/nfs/dbraw/zinc/29/22/29/931292229.db2.gz	GHHRRQAAOXJCPQ-UHFFFAOYSA-N	-1	2	264.241	0.545	20	0		CCADLM
C[C@H](NC(=O)[C@H](C(=O)[O-])C1CC1)C1=NN(C)CC1=O	ZINC001589088259	955915772	/nfs/dbraw/zinc/91/57/72/955915772.db2.gz	MWSZBOXNRZFGIK-IMTBSYHQSA-N	-1	2	267.285	0.414	20	0		CCADLM
C[C@H](NC(=O)[C@H](C(=O)[O-])C1CC1)c1nn(C)cc1O	ZINC001589088259	955915777	/nfs/dbraw/zinc/91/57/77/955915777.db2.gz	MWSZBOXNRZFGIK-IMTBSYHQSA-N	-1	2	267.285	0.414	20	0		CCADLM
O=C([O-])c1cc(C(=O)Nc2nc(-c3ccncc3)n[nH]2)[nH]n1	ZINC001574614474	962212025	/nfs/dbraw/zinc/21/20/25/962212025.db2.gz	TTYSRKJZMVXYQN-UHFFFAOYSA-N	-1	2	299.250	0.540	20	0		CCADLM
COC[C@@]1(C(=O)[O-])CCN(C(=O)C(F)C(F)(F)F)C1	ZINC001604523503	973471501	/nfs/dbraw/zinc/47/15/01/973471501.db2.gz	RHVLAXOWKFFIFL-HZGVNTEJSA-N	-1	2	287.209	0.837	20	0		CCADLM
COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H](F)C(F)(F)F)C1	ZINC001604523503	973471507	/nfs/dbraw/zinc/47/15/07/973471507.db2.gz	RHVLAXOWKFFIFL-HZGVNTEJSA-N	-1	2	287.209	0.837	20	0		CCADLM
CC(C)(C)[C@@H](NC(=O)C[C@@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC001589712941	987851149	/nfs/dbraw/zinc/85/11/49/987851149.db2.gz	UGPVDDFAAMWZSX-FSPLSTOPSA-N	-1	2	287.341	0.158	20	0		CCADLM
C[C@@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)c1nn(C)cc1O	ZINC001593157045	993982408	/nfs/dbraw/zinc/98/24/08/993982408.db2.gz	UBMZXZSFAVYMNI-ZCFIWIBFSA-N	-1	2	278.268	0.643	20	0		CCADLM
COCC[C@@H](NC(=O)C(F)C(F)(F)F)C(=O)[O-]	ZINC001599213709	997546283	/nfs/dbraw/zinc/54/62/83/997546283.db2.gz	QWKXVYCFOSALOB-RFZPGFLSSA-N	-1	2	261.171	0.493	20	0		CCADLM
COCC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C(=O)[O-]	ZINC001599213709	997546291	/nfs/dbraw/zinc/54/62/91/997546291.db2.gz	QWKXVYCFOSALOB-RFZPGFLSSA-N	-1	2	261.171	0.493	20	0		CCADLM
CO[C@@H](C)c1nsc(NCCCc2n[nH]c(=O)[n-]2)n1	ZINC000337888355	214300640	/nfs/dbraw/zinc/30/06/40/214300640.db2.gz	ZMCBBFZNGNSUBC-LURJTMIESA-N	-1	2	284.345	0.536	20	0		CCADLM
CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1nc(=O)[nH][nH]1	ZINC000113438346	349811433	/nfs/dbraw/zinc/81/14/33/349811433.db2.gz	FNVDCSHAKPTQQB-VIFPVBQESA-N	-1	2	267.333	0.092	20	0		CCADLM
Cc1nn(C)c(C)c1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000037464005	348189371	/nfs/dbraw/zinc/18/93/71/348189371.db2.gz	WCCJDTZVHFQFOI-UHFFFAOYSA-N	-1	2	298.324	0.864	20	0		CCADLM
COc1ccc(=NC(=O)NCCCO[C@H]2CCOC2)[n-]n1	ZINC000346681211	137299060	/nfs/dbraw/zinc/29/90/60/137299060.db2.gz	KOQPOGNMOZAZBP-JTQLQIEISA-N	-1	2	296.327	0.224	20	0		CCADLM
C[C@@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)[C@H]1CO	ZINC000346276828	137276172	/nfs/dbraw/zinc/27/61/72/137276172.db2.gz	MYPDZPQQAWKAMW-PWSUYJOCSA-N	-1	2	276.340	0.615	20	0		CCADLM
CCNC(=O)C[N@H+](CC)[C@H](C)C(=O)Nc1cc(C)no1	ZINC000122430834	187031570	/nfs/dbraw/zinc/03/15/70/187031570.db2.gz	JJOULGCFBAIVJW-SNVBAGLBSA-N	-1	2	282.344	0.768	20	0		CCADLM
C[C@@H](CC(=O)[O-])NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000427744618	235377738	/nfs/dbraw/zinc/37/77/38/235377738.db2.gz	VUPXBGDPOGFNPQ-YFKPBYRVSA-N	-1	2	292.251	0.029	20	0		CCADLM
CCCc1nc(C)c(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)o1	ZINC000573184135	358944744	/nfs/dbraw/zinc/94/47/44/358944744.db2.gz	FFLLYLAMVCEZMM-SNVBAGLBSA-N	-1	2	292.339	0.672	20	0		CCADLM
Cn1ncc2c1nc(C[N@@H+](C)C[C@@H]1CCCO1)[nH]c2=O	ZINC000590295093	359435684	/nfs/dbraw/zinc/43/56/84/359435684.db2.gz	MJRLULSSHZPVRP-VIFPVBQESA-N	-1	2	277.328	0.680	20	0		CCADLM
Cc1ccc(O)c(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)n1	ZINC000329550160	202381363	/nfs/dbraw/zinc/38/13/63/202381363.db2.gz	FLCSXULBAJJFIW-SNVBAGLBSA-N	-1	2	276.296	0.672	20	0		CCADLM
O=C(N[C@H]1CCN(C2CCC2)C1=O)c1cccc2[nH]nnc21	ZINC000629922197	369840444	/nfs/dbraw/zinc/84/04/44/369840444.db2.gz	JDHYXUNSVBYKOV-LBPRGKRZSA-N	-1	2	299.334	0.841	20	0		CCADLM
O=C(c1cccc2n[nH]nc21)N1CC[NH+](C2CC2)CC1	ZINC000187580230	388886134	/nfs/dbraw/zinc/88/61/34/388886134.db2.gz	JHLHMGCTRWDEAV-UHFFFAOYSA-N	-1	2	271.324	0.878	20	0		CCADLM
O=C(c1cccc2nn[nH]c21)N1CC[NH+](C2CC2)CC1	ZINC000187580230	388886138	/nfs/dbraw/zinc/88/61/38/388886138.db2.gz	JHLHMGCTRWDEAV-UHFFFAOYSA-N	-1	2	271.324	0.878	20	0		CCADLM
CC(C)[C@H](O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC000367788327	389358266	/nfs/dbraw/zinc/35/82/66/389358266.db2.gz	AHEWPEDNPYFCGK-NXEZZACHSA-N	-1	2	254.334	0.707	20	0		CCADLM
C[C@@H]1CCCN(C(=O)CCc2ncn[nH]2)[C@H]1C(=O)[O-]	ZINC000424270948	533651762	/nfs/dbraw/zinc/65/17/62/533651762.db2.gz	YDNFOQICCZDGJW-LDYMZIIASA-N	-1	2	266.301	0.449	20	0		CCADLM
C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H](C(=O)[O-])C1CC1	ZINC000548216402	286017049	/nfs/dbraw/zinc/01/70/49/286017049.db2.gz	DNVWXXZATNXART-UJURSFKZSA-N	-1	2	275.248	0.720	20	0		CCADLM
C[C@@H](C(F)(F)F)S(=O)(=O)NCCSCC(=O)[O-]	ZINC000548268449	286020943	/nfs/dbraw/zinc/02/09/43/286020943.db2.gz	BKPXBBXSTHJCRX-YFKPBYRVSA-N	-1	2	295.304	0.674	20	0		CCADLM
C[C@H](C(F)(F)F)S(=O)(=O)NCCSCC(=O)[O-]	ZINC000548268448	286020967	/nfs/dbraw/zinc/02/09/67/286020967.db2.gz	BKPXBBXSTHJCRX-RXMQYKEDSA-N	-1	2	295.304	0.674	20	0		CCADLM
Cc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)nc1	ZINC000020213607	171076513	/nfs/dbraw/zinc/07/65/13/171076513.db2.gz	KIHMZGRIHBDDJO-UHFFFAOYSA-N	-1	2	281.293	0.639	20	0		CCADLM
O=C(NCCc1nnc2n1CCC2)c1cccc2[nH]nnc21	ZINC000577058884	335292801	/nfs/dbraw/zinc/29/28/01/335292801.db2.gz	KMZYJQWKQGMGLW-UHFFFAOYSA-N	-1	2	297.322	0.468	20	0		CCADLM
C[C@H](NS(=O)(=O)CC(F)(F)F)[C@H](C)C(=O)[O-]	ZINC000577488539	335353320	/nfs/dbraw/zinc/35/33/20/335353320.db2.gz	BPBFDPGSHMOCRH-WHFBIAKZSA-N	-1	2	263.237	0.577	20	0		CCADLM
COCc1nsc(N[C@@H]2CC[C@H](C(=O)[O-])C2)n1	ZINC000577496263	335359351	/nfs/dbraw/zinc/35/93/51/335359351.db2.gz	IAJWSAKGYLICRI-NKWVEPMBSA-N	-1	2	257.315	0.772	20	0		CCADLM
CC(C)C[C@@H](CNC(=O)N=c1cccn[nH]1)C(=O)[O-]	ZINC000424377399	528322163	/nfs/dbraw/zinc/32/21/63/528322163.db2.gz	DJXPZHXGIHHLER-VIFPVBQESA-N	-1	2	266.301	0.767	20	0		CCADLM
Cc1[nH]nc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c1O	ZINC000676699633	545349263	/nfs/dbraw/zinc/34/92/63/545349263.db2.gz	PRORNVXMERBRNR-SECBINFHSA-N	-1	2	252.318	0.590	20	0		CCADLM
N=C1NC(=O)[C@H](CC(=O)N2CCCC[C@H]2C(=O)[O-])S1	ZINC000821357137	600867833	/nfs/dbraw/zinc/86/78/33/600867833.db2.gz	JUMXTHFQDRMTLO-BQBZGAKWSA-N	-1	2	285.325	0.009	20	0		CCADLM
Cc1n[nH]c(SCC(=O)NCCN(C(=O)[O-])C2CC2)n1	ZINC000830678845	603741200	/nfs/dbraw/zinc/74/12/00/603741200.db2.gz	RLAOSDDRGMKEGW-UHFFFAOYSA-N	-1	2	299.356	0.464	20	0		CCADLM
O=C([O-])Nc1cccc(C(=O)OCc2n[nH]c(=O)[nH]2)c1	ZINC000834263941	605955500	/nfs/dbraw/zinc/95/55/00/605955500.db2.gz	GCEVZNWJHWGANS-UHFFFAOYSA-N	-1	2	278.224	0.957	20	0		CCADLM
C[C@@H]1[C@H](C)N(Cc2n[nH]c(=O)[nH]2)CCN1C(=O)[O-]	ZINC000833825315	606039561	/nfs/dbraw/zinc/03/95/61/606039561.db2.gz	BAUBMMRQEIWCGI-NKWVEPMBSA-N	-1	2	255.278	0.083	20	0		CCADLM
CC(C)C[C@H](NC(=O)[O-])C(=O)NCCCc1n[nH]c(=O)[nH]1	ZINC000824211616	614219850	/nfs/dbraw/zinc/21/98/50/614219850.db2.gz	RDCRUMHNGWZYRO-QMMMGPOBSA-N	-1	2	299.331	0.241	20	0		CCADLM
CCn1cc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)cn1	ZINC000830424509	616011555	/nfs/dbraw/zinc/01/15/55/616011555.db2.gz	VRZKCBASJCAUHF-UHFFFAOYSA-N	-1	2	298.324	0.741	20	0		CCADLM
CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)o1	ZINC000826060206	616874837	/nfs/dbraw/zinc/87/48/37/616874837.db2.gz	IPDFQCOLVLDJME-SNVBAGLBSA-N	-1	2	290.327	0.560	20	0		CCADLM
COCC[N@H+](Cc1ccc(O)c(F)c1)[C@@H](C)C(N)=O	ZINC000813335439	617027929	/nfs/dbraw/zinc/02/79/29/617027929.db2.gz	BWWYYVAXIFEXTE-VIFPVBQESA-N	-1	2	270.304	0.854	20	0		CCADLM
C[C@@H](CN(C(=O)C[C@H]1SC(=N)NC1=O)C1CC1)C(=O)[O-]	ZINC000827433039	642005585	/nfs/dbraw/zinc/00/55/85/642005585.db2.gz	TZRHJHKKLFLKRP-POYBYMJQSA-N	-1	2	299.352	0.255	20	0		CCADLM
CC[N@@H+](Cc1c(CO)cnc(C)c1O)C1CN(C)C1	ZINC001140871068	799954692	/nfs/dbraw/zinc/95/46/92/799954692.db2.gz	NBDFHNATJDWTEQ-UHFFFAOYSA-N	-1	2	265.357	0.724	20	0		CCADLM
Cc1cccc(-c2nnc([C@@H]([NH3+])Cc3nn[nH]n3)o2)c1	ZINC001217693974	803899735	/nfs/dbraw/zinc/89/97/35/803899735.db2.gz	RXVIZWPENKJXFG-VIFPVBQESA-N	-1	2	271.284	0.801	20	0		CCADLM
N[C@@H](C(=O)Nc1cc(=O)[n-]c(Cl)n1)C(F)(F)F	ZINC001218648481	804059229	/nfs/dbraw/zinc/05/92/29/804059229.db2.gz	UMMZNNMCUIYXGY-BYPYZUCNSA-N	-1	2	270.598	0.664	20	0		CCADLM
O=C(Nc1nn[nH]n1)c1ccn(-c2cc[nH+]cc2)n1	ZINC001255909904	808437541	/nfs/dbraw/zinc/43/75/41/808437541.db2.gz	SWZUXMJCZGPUQR-UHFFFAOYSA-N	-1	2	256.229	0.033	20	0		CCADLM
O=S(=O)(NC1=CC=C[CH]1)c1nc2nc(Cl)ccn2n1	ZINC001260180270	808854595	/nfs/dbraw/zinc/85/45/95/808854595.db2.gz	LAWIAFBKKLZXHT-UHFFFAOYSA-N	-1	2	296.719	0.714	20	0		CCADLM
O=c1[nH]cnc([O-])c1NS(=O)(=O)Cc1ccccc1F	ZINC001260622218	808873905	/nfs/dbraw/zinc/87/39/05/808873905.db2.gz	CNIRJHHCYSPNTD-UHFFFAOYSA-N	-1	2	299.283	0.969	20	0		CCADLM
O=C(NCCn1cc[nH+]c1)c1[nH]c(=O)ccc1Cl	ZINC001184799430	844288588	/nfs/dbraw/zinc/28/85/88/844288588.db2.gz	WUEDDBZTQFQKSP-UHFFFAOYSA-N	-1	2	266.688	0.493	20	0		CCADLM
Cc1cc(N(C(N)=[NH2+])C(=O)c2c(C)cc(O)cc2O)n[nH]1	ZINC001193952336	846186518	/nfs/dbraw/zinc/18/65/18/846186518.db2.gz	DLSIPMIWFOBHIL-UHFFFAOYSA-N	-1	2	289.295	0.978	20	0		CCADLM
O=C(NCCCc1nc[nH]n1)C(=O)c1ccc(O)cc1	ZINC001296944157	906978655	/nfs/dbraw/zinc/97/86/55/906978655.db2.gz	KWBZZPRZVORMTE-UHFFFAOYSA-N	-1	2	274.280	0.442	20	0		CCADLM
Cc1noc(C)c1C[N@H+](CCC(=O)[O-])CC(=O)[O-]	ZINC000071740319	957732558	/nfs/dbraw/zinc/73/25/58/957732558.db2.gz	DWJIWSUJVSUXMA-UHFFFAOYSA-N	-1	2	256.258	0.653	20	0		CCADLM
Cc1noc(C)c1C[N@@H+](CCC(=O)[O-])CC(=O)[O-]	ZINC000071740319	957732570	/nfs/dbraw/zinc/73/25/70/957732570.db2.gz	DWJIWSUJVSUXMA-UHFFFAOYSA-N	-1	2	256.258	0.653	20	0		CCADLM
O=C([O-])c1cccc(C(=O)NCc2nc(O)cc(=O)[nH]2)c1	ZINC001574807950	957864307	/nfs/dbraw/zinc/86/43/07/957864307.db2.gz	UVPFUTXYPZBATJ-UHFFFAOYSA-N	-1	2	289.247	0.516	20	0		CCADLM
C[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=NN(C)CC1=O	ZINC001573568844	959306696	/nfs/dbraw/zinc/30/66/96/959306696.db2.gz	GKJJGTXFQLHYAQ-BIIVOSGPSA-N	-1	2	267.285	0.414	20	0		CCADLM
C[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1nn(C)cc1O	ZINC001573568844	959306708	/nfs/dbraw/zinc/30/67/08/959306708.db2.gz	GKJJGTXFQLHYAQ-BIIVOSGPSA-N	-1	2	267.285	0.414	20	0		CCADLM
CC(C)[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC001588802997	961436499	/nfs/dbraw/zinc/43/64/99/961436499.db2.gz	HNWSESJZMTTYRX-BDAKNGLRSA-N	-1	2	296.327	0.573	20	0		CCADLM
O=C([O-])[C@H](C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1)C1CC1	ZINC001605893371	972703747	/nfs/dbraw/zinc/70/37/47/972703747.db2.gz	WXUCHAGXDIFCSC-IUCAKERBSA-N	-1	2	294.311	0.327	20	0		CCADLM
O=C([O-])COc1ccc(C(=O)OCc2n[nH]c(=O)[nH]2)cc1	ZINC001606285307	973679620	/nfs/dbraw/zinc/67/96/20/973679620.db2.gz	ZOZMYUJZQGJUBG-UHFFFAOYSA-N	-1	2	293.235	0.331	20	0		CCADLM
C[C@H](CC(=O)[O-])C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC001592341850	977792229	/nfs/dbraw/zinc/79/22/29/977792229.db2.gz	GRNHNKHTEGHORF-HTQZYQBOSA-N	-1	2	282.300	0.327	20	0		CCADLM
C[C@H](CC(=O)[O-])CC(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC001592374890	977904460	/nfs/dbraw/zinc/90/44/60/977904460.db2.gz	FGIUZRMGFYLFRN-DTWKUNHWSA-N	-1	2	296.327	0.717	20	0		CCADLM
C[C@@](Cn1cccn1)(NC(=O)C(F)(F)F)C(=O)[O-]	ZINC001592918723	979908758	/nfs/dbraw/zinc/90/87/58/979908758.db2.gz	PNIQOSHHULYFBC-QMMMGPOBSA-N	-1	2	265.191	0.405	20	0		CCADLM
CCCC[C@@H](NC(=O)C[C@@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC001595635504	981904175	/nfs/dbraw/zinc/90/41/75/981904175.db2.gz	XJPXLGCKPAFNAS-RQJHMYQMSA-N	-1	2	287.341	0.302	20	0		CCADLM
C[C@H](C(=O)NOCCCC(=O)[O-])c1ccnn1C	ZINC001589423651	986681633	/nfs/dbraw/zinc/68/16/33/986681633.db2.gz	OSESYAVLDACRJC-QMMMGPOBSA-N	-1	2	255.274	0.436	20	0		CCADLM
COC(=O)C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C(=O)[O-]	ZINC001598838411	996505045	/nfs/dbraw/zinc/50/50/45/996505045.db2.gz	RYBLKUCEUATXIT-NQXXGFSBSA-N	-1	2	275.154	0.019	20	0		CCADLM
COC(=O)C[C@@H](NC(=O)C(F)C(F)(F)F)C(=O)[O-]	ZINC001598838411	996505039	/nfs/dbraw/zinc/50/50/39/996505039.db2.gz	RYBLKUCEUATXIT-NQXXGFSBSA-N	-1	2	275.154	0.019	20	0		CCADLM
C[C@@H]1C[C@H](C(=O)[O-])CN(c2cc[nH+]c(C(=O)[O-])n2)C1	ZINC001594209039	998808416	/nfs/dbraw/zinc/80/84/16/998808416.db2.gz	BMGHALGPNABGHL-SFYZADRCSA-N	-1	2	265.269	0.722	20	0		CCADLM
COc1ccc(=NC(=O)N(C)[C@@H](CO)CC(C)C)[n-]n1	ZINC000346678216	137298928	/nfs/dbraw/zinc/29/89/28/137298928.db2.gz	WXLBPNCUABCZJC-SNVBAGLBSA-N	-1	2	282.344	0.778	20	0		CCADLM
CCC[C@@](C)(O)CNC(=O)N=c1ccc(OC)n[n-]1	ZINC000346677735	137299164	/nfs/dbraw/zinc/29/91/64/137299164.db2.gz	VPKLAWZMDYWBTG-GFCCVEGCSA-N	-1	2	268.317	0.580	20	0		CCADLM
O=C([O-])Cc1ccc(S(=O)(=O)Nc2cncnc2)cc1	ZINC000231773538	352133586	/nfs/dbraw/zinc/13/35/86/352133586.db2.gz	WDXSHZQZKNVYDN-UHFFFAOYSA-N	-1	2	293.304	0.905	20	0		CCADLM
O=C(N[C@@H]1C[C@H](O)C12CCC2)c1cccc2[nH]nnc21	ZINC000619078942	366189275	/nfs/dbraw/zinc/18/92/75/366189275.db2.gz	XATVJESPIGQHSX-MNOVXSKESA-N	-1	2	272.308	0.991	20	0		CCADLM
O=c1[nH]nc([C@H]2CCC[N@@H+](CCC3(O)CCC3)C2)[nH]1	ZINC000334027635	354836258	/nfs/dbraw/zinc/83/62/58/354836258.db2.gz	IKTDYXRHZFJUIO-JTQLQIEISA-N	-1	2	266.345	0.995	20	0		CCADLM
Cc1cc(S(=O)(=O)Nc2cn(C)nn2)ccc1C(=O)[O-]	ZINC000359584487	356850977	/nfs/dbraw/zinc/85/09/77/356850977.db2.gz	DMIUCRFHFCTXBT-UHFFFAOYSA-N	-1	2	296.308	0.623	20	0		CCADLM
CO[C@@H]1CCC[N@@H+](Cc2nc3c(cnn3C)c(=O)[nH]2)C1	ZINC000590296894	359435808	/nfs/dbraw/zinc/43/58/08/359435808.db2.gz	CAKSWEVKPXRTRD-SECBINFHSA-N	-1	2	277.328	0.680	20	0		CCADLM
CC1(C)COCC[N@@H+]1CCNC(=O)c1cc(F)c[nH]c1=O	ZINC000621854087	366896489	/nfs/dbraw/zinc/89/64/89/366896489.db2.gz	IGXSOEAGKQOXOP-UHFFFAOYSA-N	-1	2	297.330	0.767	20	0		CCADLM
Cc1n[nH]cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1	ZINC000037730423	269705783	/nfs/dbraw/zinc/70/57/83/269705783.db2.gz	ZNNAUGRDPYXCLZ-UHFFFAOYSA-N	-1	2	297.292	0.923	20	0		CCADLM
O=C1NC(=O)N2CC[N@H+](Cc3ccc4c(c3)CCO4)C[C@H]12	ZINC000355329657	389060797	/nfs/dbraw/zinc/06/07/97/389060797.db2.gz	WDXWXBLOOLCZSC-GFCCVEGCSA-N	-1	2	287.319	0.358	20	0		CCADLM
C[C@H](C(=O)NC(C)(C)C)S(=O)(=O)c1n[n-]c(=N)s1	ZINC000429867846	389773155	/nfs/dbraw/zinc/77/31/55/389773155.db2.gz	ATRKMWWLFZXLKG-RXMQYKEDSA-N	-1	2	292.386	0.028	20	0		CCADLM
CC(C(=O)NC(C)(C)C)S(=O)(=O)c1n[n-]c(=N)s1	ZINC000429867846	389773159	/nfs/dbraw/zinc/77/31/59/389773159.db2.gz	ATRKMWWLFZXLKG-RXMQYKEDSA-N	-1	2	292.386	0.028	20	0		CCADLM
CC(=O)N1CCC(NC(=O)c2cccc3[nH]nnc32)CC1	ZINC000526115604	390677531	/nfs/dbraw/zinc/67/75/31/390677531.db2.gz	MCSUVNNLXWKFMQ-UHFFFAOYSA-N	-1	2	287.323	0.699	20	0		CCADLM
Cn1[n-]c(C(=O)N=c2nc(C3(C)CC3)[nH]s2)cc1=O	ZINC000529700406	285490529	/nfs/dbraw/zinc/49/05/29/285490529.db2.gz	DQMQGJIAMWRRSI-UHFFFAOYSA-N	-1	2	279.325	0.703	20	0		CCADLM
Cn1ccc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)n1	ZINC000357021365	144051840	/nfs/dbraw/zinc/05/18/40/144051840.db2.gz	SCONQQHDJIPMPV-UHFFFAOYSA-N	-1	2	295.320	0.848	20	0		CCADLM
Cc1cc(=NC(=O)NC[C@@H](C)C(=O)[O-])[nH]nc1C	ZINC000653539172	412312306	/nfs/dbraw/zinc/31/23/06/412312306.db2.gz	VCXQAEBQFYBZQN-SSDOTTSWSA-N	-1	2	252.274	0.358	20	0		CCADLM
O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1	ZINC000739549885	581570593	/nfs/dbraw/zinc/57/05/93/581570593.db2.gz	VGMNXNIYEBIOBE-DTWKUNHWSA-N	-1	2	289.247	0.689	20	0		CCADLM
COCCN(CC(=O)NO[C@@H]1CCCCO1)C(=O)[O-]	ZINC000739821522	581624478	/nfs/dbraw/zinc/62/44/78/581624478.db2.gz	YYRLYGWWOOXJBJ-SNVBAGLBSA-N	-1	2	276.289	0.187	20	0		CCADLM
C[C@H]1COCC[N@H+]1CCNc1ncccc1-c1nn[nH]n1	ZINC000736295536	581732059	/nfs/dbraw/zinc/73/20/59/581732059.db2.gz	ZQXBWXRZLSCNTH-JTQLQIEISA-N	-1	2	289.343	0.394	20	0		CCADLM
NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1	ZINC000826390125	608501259	/nfs/dbraw/zinc/50/12/59/608501259.db2.gz	QMVHWOAZXPEZIZ-VIFPVBQESA-N	-1	2	292.368	0.768	20	0		CCADLM
NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1	ZINC000826390125	608501260	/nfs/dbraw/zinc/50/12/60/608501260.db2.gz	QMVHWOAZXPEZIZ-VIFPVBQESA-N	-1	2	292.368	0.768	20	0		CCADLM
O=C(C[N@@H+]1CCO[C@H](C(=O)[O-])C1)[N-]OCc1ccccc1	ZINC000821383544	598162152	/nfs/dbraw/zinc/16/21/52/598162152.db2.gz	SZKLRZXHCPDEGA-LBPRGKRZSA-N	-1	2	294.307	0.020	20	0		CCADLM
O=C(C[N@H+]1CCO[C@H](C(=O)[O-])C1)[N-]OCc1ccccc1	ZINC000821383544	598162153	/nfs/dbraw/zinc/16/21/53/598162153.db2.gz	SZKLRZXHCPDEGA-LBPRGKRZSA-N	-1	2	294.307	0.020	20	0		CCADLM
Cn1nccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000044593587	600054851	/nfs/dbraw/zinc/05/48/51/600054851.db2.gz	YJWBPOHCPQOIDP-UHFFFAOYSA-N	-1	2	281.293	0.919	20	0		CCADLM
Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1	ZINC000020213602	600829299	/nfs/dbraw/zinc/82/92/99/600829299.db2.gz	ZRCLMSPHVHQPTK-UHFFFAOYSA-N	-1	2	295.320	0.649	20	0		CCADLM
N=C1NC(=O)[C@H](CC(=O)NCCCCCC(=O)[O-])S1	ZINC000819124659	600848618	/nfs/dbraw/zinc/84/86/18/600848618.db2.gz	BQBGTFYYLITSMW-ZETCQYMHSA-N	-1	2	287.341	0.304	20	0		CCADLM
C[C@@H]1OCC[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)[C@H]1C	ZINC000825019118	607514034	/nfs/dbraw/zinc/51/40/34/607514034.db2.gz	CDSQTCXCPHHVAO-UWVGGRQHSA-N	-1	2	274.328	0.871	20	0		CCADLM
N=C1NC(=O)[C@H](CC(=O)N2CCC[C@H]2CC(=O)[O-])S1	ZINC000833087810	604751925	/nfs/dbraw/zinc/75/19/25/604751925.db2.gz	DLZVTTMAGQSCQS-BQBZGAKWSA-N	-1	2	285.325	0.009	20	0		CCADLM
CC(C)c1scnc1C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000854611524	614349330	/nfs/dbraw/zinc/34/93/30/614349330.db2.gz	YMLQMTCABHBLJL-UHFFFAOYSA-N	-1	2	269.286	0.653	20	0		CCADLM
CCc1ncc(C(=O)Nn2c(=O)[n-][nH]c2=O)s1	ZINC000854610137	615772208	/nfs/dbraw/zinc/77/22/08/615772208.db2.gz	AMBPQHDIIMBPRQ-UHFFFAOYSA-N	-1	2	255.259	0.092	20	0		CCADLM
CC[C@](C)(CC(=O)[O-])NC(=O)C[C@@H]1SC(=N)NC1=O	ZINC000828617616	615942711	/nfs/dbraw/zinc/94/27/11/615942711.db2.gz	HPWCAJQKHVSSPU-UPONEAKYSA-N	-1	2	287.341	0.302	20	0		CCADLM
CCn1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])nc2)cn1	ZINC000833683342	616011581	/nfs/dbraw/zinc/01/15/81/616011581.db2.gz	MDELVLSYROAESS-UHFFFAOYSA-N	-1	2	296.308	0.797	20	0		CCADLM
Cc1ncccc1CCNC(=O)N[C@H](C)C(=O)[O-]	ZINC000900311028	633987697	/nfs/dbraw/zinc/98/76/97/633987697.db2.gz	QKTHTVZUZSHADW-SECBINFHSA-N	-1	2	251.286	0.705	20	0		CCADLM
Cc1n[nH]c(NC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)n1	ZINC000740224466	820211798	/nfs/dbraw/zinc/21/17/98/820211798.db2.gz	ZYHPOKYMEIAJJA-JGVFFNPUSA-N	-1	2	267.289	0.878	20	0		CCADLM
O=C(NCS(=O)(=O)[O-])c1cc(F)c(O)cc1F	ZINC001192877069	845919991	/nfs/dbraw/zinc/91/99/91/845919991.db2.gz	OJGVIDABNBZUFE-UHFFFAOYSA-N	-1	2	267.209	0.246	20	0		CCADLM
CC[N@@H+]1CC[C@@H]1C(=O)Nc1cccc(Cc2nn[nH]n2)c1	ZINC001362976127	928717882	/nfs/dbraw/zinc/71/78/82/928717882.db2.gz	GKOVGRUFGSRCDM-GFCCVEGCSA-N	-1	2	286.339	0.823	20	0		CCADLM
CC[N@H+]1CC[C@@H]1C(=O)Nc1cccc(Cc2nn[nH]n2)c1	ZINC001362976127	928717886	/nfs/dbraw/zinc/71/78/86/928717886.db2.gz	GKOVGRUFGSRCDM-GFCCVEGCSA-N	-1	2	286.339	0.823	20	0		CCADLM
Cc1ccc2[nH]cc(C(=O)N3CC(C(=O)[O-])C3)c(=O)c2c1	ZINC001611194678	970931148	/nfs/dbraw/zinc/93/11/48/970931148.db2.gz	BIXVLKKMEFDBEA-UHFFFAOYSA-N	-1	2	286.287	0.993	20	0		CCADLM
COC(=O)CCCONC(=O)[C@H](C(=O)[O-])C(C)(C)C	ZINC001593834058	955174901	/nfs/dbraw/zinc/17/49/01/955174901.db2.gz	HCIQVDMQPLAUQZ-SECBINFHSA-N	-1	2	275.301	0.734	20	0		CCADLM
N=C1NC(=O)[C@H](CC(=O)NC[C@@H](C(=O)[O-])C2CCC2)S1	ZINC001594654485	956495327	/nfs/dbraw/zinc/49/53/27/956495327.db2.gz	PHNCMUHUGXHOGA-SFYZADRCSA-N	-1	2	299.352	0.160	20	0		CCADLM
C[C@H](NS(=O)(=O)CCCC(=O)[O-])C(F)(F)F	ZINC000389314767	972218318	/nfs/dbraw/zinc/21/83/18/972218318.db2.gz	PTLCPMLGNROKLA-YFKPBYRVSA-N	-1	2	263.237	0.721	20	0		CCADLM
O=C([O-])c1cc(S(=O)(=O)Nc2cn[nH]c2)cs1	ZINC000113250378	958443838	/nfs/dbraw/zinc/44/38/38/958443838.db2.gz	ACJUFPOUSIJVJN-UHFFFAOYSA-N	-1	2	273.295	0.970	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N2CCC(C)(C(=O)[O-])CC2)n1	ZINC001594442018	959284749	/nfs/dbraw/zinc/28/47/49/959284749.db2.gz	WBFVUZAXTBJDQZ-UHFFFAOYSA-N	-1	2	298.368	0.919	20	0		CCADLM
CC(C)(NC(=O)C(F)(F)F)C(=O)OCCCC(=O)[O-]	ZINC001588785223	961341060	/nfs/dbraw/zinc/34/10/60/961341060.db2.gz	DTJWORFSYJDYAK-UHFFFAOYSA-N	-1	2	285.218	0.852	20	0		CCADLM
O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC001606399938	973851179	/nfs/dbraw/zinc/85/11/79/973851179.db2.gz	CPBNBPQWERIIGC-IWSPIJDZSA-N	-1	2	294.311	0.327	20	0		CCADLM
C[C@@H](CC(=O)[O-])CC(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC001592374889	977904512	/nfs/dbraw/zinc/90/45/12/977904512.db2.gz	FGIUZRMGFYLFRN-BDAKNGLRSA-N	-1	2	296.327	0.717	20	0		CCADLM
CC(C)(C)[C@H](NC(=O)C[C@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC001589712942	987851251	/nfs/dbraw/zinc/85/12/51/987851251.db2.gz	UGPVDDFAAMWZSX-IYSWYEEDSA-N	-1	2	287.341	0.158	20	0		CCADLM
CCN(C(=O)NC[C@@H](CC(=O)O)C(=O)[O-])C(C)C	ZINC000274952326	353175471	/nfs/dbraw/zinc/17/54/71/353175471.db2.gz	IDCZJPGOKDDTPC-MRVPVSSYSA-N	-1	2	260.290	0.602	20	0		CCADLM
O=C(N[C@H]1CC(=O)N2CCCC[C@@H]12)c1cccc2[nH]nnc21	ZINC000558723301	291070834	/nfs/dbraw/zinc/07/08/34/291070834.db2.gz	URCKWFDOAMAFHO-RYUDHWBXSA-N	-1	2	299.334	0.841	20	0		CCADLM
COC(=O)c1ccc(=NC[C@@H](C(=O)[O-])C2CCC2)[nH]n1	ZINC000595977949	360753855	/nfs/dbraw/zinc/75/38/55/360753855.db2.gz	PPNSBHKUYQCCPM-SECBINFHSA-N	-1	2	279.296	0.598	20	0		CCADLM
O=C([O-])COCCNc1nc(C2CCOCC2)ns1	ZINC000634965019	372317513	/nfs/dbraw/zinc/31/75/13/372317513.db2.gz	WZEHZHPVIKPJBC-UHFFFAOYSA-N	-1	2	287.341	0.367	20	0		CCADLM
COC[C@]1(C(=O)[O-])CCN(c2ccc(C(=O)[O-])c[nH+]2)C1	ZINC000634965603	372317638	/nfs/dbraw/zinc/31/76/38/372317638.db2.gz	OQIYRQWMRLKKAP-ZDUSSCGKSA-N	-1	2	280.280	0.707	20	0		CCADLM
C[C@@](O)(CNC(=O)c1cc(F)c(O)c(F)c1)C(=O)[O-]	ZINC000517029676	249199220	/nfs/dbraw/zinc/19/92/20/249199220.db2.gz	AOQAPUSPMOOZHU-LLVKDONJSA-N	-1	2	275.207	0.236	20	0		CCADLM
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(F)cc1O	ZINC000123719430	389156812	/nfs/dbraw/zinc/15/68/12/389156812.db2.gz	JWTOGHNGVQAPPO-NSHDSACASA-N	-1	2	295.358	0.897	20	0		CCADLM
O=C([O-])c1cc(S(=O)(=O)Nc2nccs2)c[nH]1	ZINC000020213372	171075731	/nfs/dbraw/zinc/07/57/31/171075731.db2.gz	JZYRGAWPHXCTNJ-UHFFFAOYSA-N	-1	2	273.295	0.970	20	0		CCADLM
Cc1cnc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)s1	ZINC000020213457	171075847	/nfs/dbraw/zinc/07/58/47/171075847.db2.gz	DEZFZNPURXBGIR-UHFFFAOYSA-N	-1	2	287.322	0.701	20	0		CCADLM
O=C([O-])c1ccc(S(=O)(=O)Nc2ncccn2)o1	ZINC000020593427	171263157	/nfs/dbraw/zinc/26/31/57/171263157.db2.gz	WODNPQGHTBJQSC-UHFFFAOYSA-N	-1	2	269.238	0.569	20	0		CCADLM
Cn1ccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1	ZINC000022160378	171363936	/nfs/dbraw/zinc/36/39/36/171363936.db2.gz	IODJUAIGSDORIF-UHFFFAOYSA-N	-1	2	284.297	0.258	20	0		CCADLM
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC(F)(F)F)C1	ZINC000582060866	327825955	/nfs/dbraw/zinc/82/59/55/327825955.db2.gz	KETSIXDKHXYPLI-SYDPRGILSA-N	-1	2	261.221	0.331	20	0		CCADLM
COCCN(CC(=O)NOCc1ccccc1)C(=O)[O-]	ZINC000739821429	581624713	/nfs/dbraw/zinc/62/47/13/581624713.db2.gz	WGZKMOBMNJUDRC-UHFFFAOYSA-N	-1	2	282.296	0.861	20	0		CCADLM
C[C@@H]1COCC[N@H+]1CCNc1ncccc1-c1nn[nH]n1	ZINC000736295538	581732229	/nfs/dbraw/zinc/73/22/29/581732229.db2.gz	ZQXBWXRZLSCNTH-SNVBAGLBSA-N	-1	2	289.343	0.394	20	0		CCADLM
CC(C)(NC(=O)C(F)(F)F)C(=O)[N-]OCC(F)F	ZINC000760509186	581863031	/nfs/dbraw/zinc/86/30/31/581863031.db2.gz	BVCANPQURHBZCC-UHFFFAOYSA-N	-1	2	278.177	0.756	20	0		CCADLM
O=C(NCc1n[nH]c(=O)[n-]1)c1cccc(Cl)c1O	ZINC000775768592	582036751	/nfs/dbraw/zinc/03/67/51/582036751.db2.gz	SLQNEVXUEXECDD-UHFFFAOYSA-N	-1	2	268.660	0.799	20	0		CCADLM
Cc1cc(NS(=O)(=O)c2ccnn2C)c(C(=O)[O-])[nH]1	ZINC000163455805	600254517	/nfs/dbraw/zinc/25/45/17/600254517.db2.gz	KNFKZXJWNYWXFH-UHFFFAOYSA-N	-1	2	284.297	0.556	20	0		CCADLM
O=C([O-])Nc1cccc(NC(=O)NCc2n[nH]c(=O)[nH]2)c1	ZINC000833289692	601633013	/nfs/dbraw/zinc/63/30/13/601633013.db2.gz	UBPPJUNSKRKKBP-UHFFFAOYSA-N	-1	2	292.255	0.922	20	0		CCADLM
O=C([O-])c1ccc(NC(=O)NCc2n[nH]c(=O)[nH]2)cc1F	ZINC000392317685	602387790	/nfs/dbraw/zinc/38/77/90/602387790.db2.gz	KVGLWBFBGQPRHR-UHFFFAOYSA-N	-1	2	295.230	0.669	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N[C@@H](CNC(=O)[O-])C2CC2)n1	ZINC000830678042	603834156	/nfs/dbraw/zinc/83/41/56/603834156.db2.gz	LQGVQBQLUVOVMQ-QMMMGPOBSA-N	-1	2	299.356	0.368	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)n1	ZINC000830677495	603840210	/nfs/dbraw/zinc/84/02/10/603840210.db2.gz	GYZYIRVSKSWAPC-ZETCQYMHSA-N	-1	2	299.356	0.416	20	0		CCADLM
CCCONC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1	ZINC000844085487	614950867	/nfs/dbraw/zinc/95/08/67/614950867.db2.gz	CNOPSCYHTDMASA-UHFFFAOYSA-N	-1	2	278.268	0.816	20	0		CCADLM
O=C([O-])c1ccc(N2CCOC[C@H]2C(=O)[O-])[nH+]c1	ZINC000900943600	634132533	/nfs/dbraw/zinc/13/25/33/634132533.db2.gz	DADKCRPCHDJHQN-QMMMGPOBSA-N	-1	2	252.226	0.070	20	0		CCADLM
O=C(Nn1c(=O)[n-][nH]c1=O)c1cc2ccccc2o1	ZINC000816734034	641208150	/nfs/dbraw/zinc/20/81/50/641208150.db2.gz	XHTFAPLCEXKDKZ-UHFFFAOYSA-N	-1	2	260.209	0.819	20	0		CCADLM
Cc1nc2c(c(=O)[nH]1)C[N@H+](CCN1CCCC1=O)C2	ZINC000931319039	648977872	/nfs/dbraw/zinc/97/78/72/648977872.db2.gz	SUBRHHGFSLQBQM-UHFFFAOYSA-N	-1	2	262.313	0.429	20	0		CCADLM
O=C(Nn1c(=O)[n-][nH]c1=O)c1nc2cnccc2s1	ZINC001160073170	801904093	/nfs/dbraw/zinc/90/40/93/801904093.db2.gz	HEVVGYMPTBFZQN-UHFFFAOYSA-N	-1	2	278.253	0.078	20	0		CCADLM
[NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1ccc(C(F)F)cn1	ZINC001218791601	804120702	/nfs/dbraw/zinc/12/07/02/804120702.db2.gz	MMEJTNNGVNXCPV-LURJTMIESA-N	-1	2	283.242	0.041	20	0		CCADLM
O=C1SCC[C@@H]1Nc1ccc([P@](=O)([O-])O)cc1	ZINC001167954409	813483068	/nfs/dbraw/zinc/48/30/68/813483068.db2.gz	MXFYYKPGBPLVBA-VIFPVBQESA-N	-1	2	273.250	0.934	20	0		CCADLM
O=C1SCC[C@@H]1Nc1ccc([P@@](=O)([O-])O)cc1	ZINC001167954409	813483072	/nfs/dbraw/zinc/48/30/72/813483072.db2.gz	MXFYYKPGBPLVBA-VIFPVBQESA-N	-1	2	273.250	0.934	20	0		CCADLM
O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccc(F)c(F)c1O	ZINC001141879373	814286314	/nfs/dbraw/zinc/28/63/14/814286314.db2.gz	AABXXAZKWRXJTO-UHFFFAOYSA-N	-1	2	286.194	0.312	20	0		CCADLM
Cc1nccn1CCNS(=O)(=O)c1nccs1	ZINC001187907996	844795262	/nfs/dbraw/zinc/79/52/62/844795262.db2.gz	GLMSZDRNGVMMKL-UHFFFAOYSA-N	-1	2	272.355	0.627	20	0		CCADLM
Nc1cn2ccc(NCCOP(=O)([O-])[O-])cc2[nH+]1	ZINC001168591445	897713052	/nfs/dbraw/zinc/71/30/52/897713052.db2.gz	QMMNCZCSWYBEAY-UHFFFAOYSA-N	-1	2	272.201	0.438	20	0		CCADLM
C[NH+](C)Cc1cc(C(=O)Nc2ccncc2F)no1	ZINC001334681689	919705170	/nfs/dbraw/zinc/70/51/70/919705170.db2.gz	QXKKSMOBASLNKE-UHFFFAOYSA-N	-1	2	264.260	0.945	20	0		CCADLM
C[N@@H+]1CCN(C(=O)c2cnncc2O)CC1(C)C	ZINC001335909213	920508357	/nfs/dbraw/zinc/50/83/57/920508357.db2.gz	MYZIWAYBACNEPU-UHFFFAOYSA-N	-1	2	250.302	0.348	20	0		CCADLM
O=C([O-])CCCC(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC001595025220	951341972	/nfs/dbraw/zinc/34/19/72/951341972.db2.gz	CHVSIHUGVOJWKZ-MRVPVSSYSA-N	-1	2	282.300	0.471	20	0		CCADLM
C[C@@H]1CCCN(C(=O)C[C@H]2SC(=N)NC2=O)[C@@H]1C(=O)[O-]	ZINC001589325591	953903302	/nfs/dbraw/zinc/90/33/02/953903302.db2.gz	GVBBVJYEVPFNMC-BHNWBGBOSA-N	-1	2	299.352	0.255	20	0		CCADLM
O=C([O-])[C@@H](C(=O)NOC[C@H]1CCOC1)C1CCCC1	ZINC001594835382	954023255	/nfs/dbraw/zinc/02/32/55/954023255.db2.gz	GYFGDSLMHSGFSP-GXSJLCMTSA-N	-1	2	271.313	0.962	20	0		CCADLM
O=C([O-])C1(C(=O)OCc2n[nH]c(=O)[nH]2)CCCCCC1	ZINC001594879360	954407098	/nfs/dbraw/zinc/40/70/98/954407098.db2.gz	XUZOZZCIFRPXQD-UHFFFAOYSA-N	-1	2	283.284	0.979	20	0		CCADLM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C[C@@H]2SC(=N)NC2=O)C1	ZINC001603359821	972815347	/nfs/dbraw/zinc/81/53/47/972815347.db2.gz	BEQJZXDNRUSWNQ-PRJMDXOYSA-N	-1	2	299.352	0.112	20	0		CCADLM
Cc1ccc2c(=O)c(C(=O)N3CC(C(=O)[O-])C3)c[nH]c2n1	ZINC001605310088	973133809	/nfs/dbraw/zinc/13/38/09/973133809.db2.gz	JIUUORYQMHYLEA-UHFFFAOYSA-N	-1	2	287.275	0.800	20	0		CCADLM
CC[C@H](OC(=O)C(C)(C)NC(=O)C(F)(F)F)C(=O)[O-]	ZINC001595332316	980579355	/nfs/dbraw/zinc/57/93/55/980579355.db2.gz	UTOBONQLLXRCAX-YFKPBYRVSA-N	-1	2	285.218	0.850	20	0		CCADLM
CC(C)(C)CNC(=O)C[N@H+](CCC(=O)[O-])CC(=O)[O-]	ZINC001589784483	988166644	/nfs/dbraw/zinc/16/66/44/988166644.db2.gz	NZLNVOQWKKLNPT-UHFFFAOYSA-N	-1	2	274.317	0.010	20	0		CCADLM
CC(C)(C)CNC(=O)C[N@@H+](CCC(=O)[O-])CC(=O)[O-]	ZINC001589784483	988166647	/nfs/dbraw/zinc/16/66/47/988166647.db2.gz	NZLNVOQWKKLNPT-UHFFFAOYSA-N	-1	2	274.317	0.010	20	0		CCADLM
CC(C)(NC(=O)C(F)(F)F)C(=O)N1CC[C@H]1C(=O)[O-]	ZINC001590840562	990707373	/nfs/dbraw/zinc/70/73/73/990707373.db2.gz	QRIPAMJCJIVERV-YFKPBYRVSA-N	-1	2	282.218	0.129	20	0		CCADLM
COC(=O)C[C@@H](NC(=O)C(F)C(F)(F)F)C(=O)[O-]	ZINC001598838416	996504807	/nfs/dbraw/zinc/50/48/07/996504807.db2.gz	RYBLKUCEUATXIT-WUJLRWPWSA-N	-1	2	275.154	0.019	20	0		CCADLM
COC(=O)C[C@@H](NC(=O)[C@H](F)C(F)(F)F)C(=O)[O-]	ZINC001598838416	996504810	/nfs/dbraw/zinc/50/48/10/996504810.db2.gz	RYBLKUCEUATXIT-WUJLRWPWSA-N	-1	2	275.154	0.019	20	0		CCADLM
CC[C@@H](C)[C@@](C)(O)CNC(=O)N=c1ccc(OC)n[n-]1	ZINC000346677879	137298884	/nfs/dbraw/zinc/29/88/84/137298884.db2.gz	WNTFHYMSGXAFJM-RNCFNFMXSA-N	-1	2	282.344	0.826	20	0		CCADLM
C[C@@H](CNS(=O)(=O)c1ccccn1)C[NH+]1CCOCC1	ZINC000132342914	350304556	/nfs/dbraw/zinc/30/45/56/350304556.db2.gz	VGMOIVXBAONGSU-LBPRGKRZSA-N	-1	2	299.396	0.328	20	0		CCADLM
COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cn[nH]c2)c1	ZINC000108931843	186236881	/nfs/dbraw/zinc/23/68/81/186236881.db2.gz	GKXLZYSVGNWQRT-UHFFFAOYSA-N	-1	2	297.292	0.917	20	0		CCADLM
COCC[N@@H+]1CC[C@@H](NC(=O)N=c2cc(C)c(C)n[nH]2)C1	ZINC000532324486	358505560	/nfs/dbraw/zinc/50/55/60/358505560.db2.gz	ZLKSEUCOJNRAOY-GFCCVEGCSA-N	-1	2	293.371	0.358	20	0		CCADLM
O=C(C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1)N1CCCCC1	ZINC000408011392	357866110	/nfs/dbraw/zinc/86/61/10/357866110.db2.gz	WOCSDPNGWFQHPZ-LLVKDONJSA-N	-1	2	294.355	0.967	20	0		CCADLM
Cc1nc(=NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])[nH]n1C	ZINC000424385943	358211261	/nfs/dbraw/zinc/21/12/61/358211261.db2.gz	GYJIZWDCLNQQNK-SECBINFHSA-N	-1	2	283.332	0.414	20	0		CCADLM
O=C([O-])[C@H]1CCCN(C(=O)N=c2cccn[nH]2)C1	ZINC000630563089	370171792	/nfs/dbraw/zinc/17/17/92/370171792.db2.gz	FJWZVVQSSVQVNS-QMMMGPOBSA-N	-1	2	250.258	0.227	20	0		CCADLM
C[C@@H]1CN(C(=O)N=c2cccn[nH]2)CC[C@H]1C(=O)[O-]	ZINC000630564120	370172847	/nfs/dbraw/zinc/17/28/47/370172847.db2.gz	YDJWLKQNLWAPEE-RKDXNWHRSA-N	-1	2	264.285	0.473	20	0		CCADLM
CC(C)[C@H](CCO)[NH2+]Cc1cc(=O)n2[nH]ccc2n1	ZINC000162291434	389417505	/nfs/dbraw/zinc/41/75/05/389417505.db2.gz	MYIFVOIQHCMRJK-NSHDSACASA-N	-1	2	264.329	0.519	20	0		CCADLM
CC(C)[C@@H](O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC000367788328	389357812	/nfs/dbraw/zinc/35/78/12/389357812.db2.gz	AHEWPEDNPYFCGK-UWVGGRQHSA-N	-1	2	254.334	0.707	20	0		CCADLM
C[C@H](NC(=O)c1cccc2[nH]nnc21)C(=O)NC(C)(C)C	ZINC000182740995	389715886	/nfs/dbraw/zinc/71/58/86/389715886.db2.gz	FVNHLZUNSXODIT-QMMMGPOBSA-N	-1	2	289.339	0.991	20	0		CCADLM
CSC[C@](C)(O)CNC(=O)c1cccc2[nH]nnc21	ZINC000180047935	389665462	/nfs/dbraw/zinc/66/54/62/389665462.db2.gz	TYMHOKCSYAIVTD-GFCCVEGCSA-N	-1	2	280.353	0.802	20	0		CCADLM
O=C([O-])[C@@H]1CC[C@H](NC(=O)N=c2cccn[nH]2)C1	ZINC000647697354	390140253	/nfs/dbraw/zinc/14/02/53/390140253.db2.gz	CXXZRQHEVJVJFH-SFYZADRCSA-N	-1	2	250.258	0.273	20	0		CCADLM
O=C([O-])c1cc(S(=O)(=O)Nc2ccccn2)c[nH]1	ZINC000020213399	171075389	/nfs/dbraw/zinc/07/53/89/171075389.db2.gz	GYJFXFGSPUNRID-UHFFFAOYSA-N	-1	2	267.266	0.331	20	0		CCADLM
O=C([O-])c1cc(S(=O)(=O)Nc2ncccn2)c[nH]1	ZINC000020213563	171076658	/nfs/dbraw/zinc/07/66/58/171076658.db2.gz	YUJTXEDGTSKOOB-UHFFFAOYSA-N	-1	2	268.254	0.304	20	0		CCADLM
Cc1nc(S(=O)(=O)N[C@H](C)c2[nH+]ccn2C)cn1C	ZINC000660104284	414115123	/nfs/dbraw/zinc/11/51/23/414115123.db2.gz	OXYPFFRPJJWCHB-MRVPVSSYSA-N	-1	2	283.357	0.502	20	0		CCADLM
C[C@H](O)CN1CC[N@H+](Cc2ncccc2O)[C@H](C)C1	ZINC000582872079	329278772	/nfs/dbraw/zinc/27/87/72/329278772.db2.gz	TUFCWTJOJBNGSQ-NEPJUHHUSA-N	-1	2	265.357	0.674	20	0		CCADLM
O=C([O-])[C@H]1CC[C@@H](NS(=O)(=O)CC(F)(F)F)C1	ZINC000578984379	335695534	/nfs/dbraw/zinc/69/55/34/335695534.db2.gz	FNAVVUNNLUXLFP-NTSWFWBYSA-N	-1	2	275.248	0.721	20	0		CCADLM
Cc1[nH]nc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1O	ZINC000676699600	545349030	/nfs/dbraw/zinc/34/90/30/545349030.db2.gz	OZKHNJYWFDDSAC-LLVKDONJSA-N	-1	2	296.371	0.607	20	0		CCADLM
O=C([O-])C[C@@H](NC(=O)C1=NNC(=O)C1)c1ccccc1	ZINC000738563110	582062817	/nfs/dbraw/zinc/06/28/17/582062817.db2.gz	GVVMCXGYHRGASN-SECBINFHSA-N	-1	2	275.264	0.195	20	0		CCADLM
C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1	ZINC000738994942	582096319	/nfs/dbraw/zinc/09/63/19/582096319.db2.gz	QKJTYHRSBNMAPK-ZCFIWIBFSA-N	-1	2	292.251	0.625	20	0		CCADLM
Cn1nccc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833759553	604699624	/nfs/dbraw/zinc/69/96/24/604699624.db2.gz	OQDVEURASINTOD-UHFFFAOYSA-N	-1	2	282.281	0.314	20	0		CCADLM
O=C([O-])NCc1ccc(C(=O)OCc2n[nH]c(=O)[nH]2)cc1	ZINC000834247088	605955672	/nfs/dbraw/zinc/95/56/72/605955672.db2.gz	IIWSHKZNGBLSFM-UHFFFAOYSA-N	-1	2	292.251	0.635	20	0		CCADLM
C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCc1n[nH]c(=O)[nH]1	ZINC000833832449	606062694	/nfs/dbraw/zinc/06/26/94/606062694.db2.gz	WDVREWHZLBPQSB-JVXZTZIISA-N	-1	2	297.315	0.343	20	0		CCADLM
CCc1nc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)no1	ZINC000833674475	615750433	/nfs/dbraw/zinc/75/04/33/615750433.db2.gz	CBBPDGQSYIHIFV-UHFFFAOYSA-N	-1	2	286.269	0.459	20	0		CCADLM
O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc(Cl)s1	ZINC000816733970	641206848	/nfs/dbraw/zinc/20/68/48/641206848.db2.gz	UDMTVUDRPAQAJA-UHFFFAOYSA-N	-1	2	260.662	0.788	20	0		CCADLM
Cc1ccc2oc(C(=O)Nn3c(=O)[n-][nH]c3=O)cc2n1	ZINC000820287645	641492995	/nfs/dbraw/zinc/49/29/95/641492995.db2.gz	BFZONZSPCLPXST-UHFFFAOYSA-N	-1	2	275.224	0.523	20	0		CCADLM
COc1ccc(C[N@H+](C)C[C@@H](O)CO)c(Cl)c1O	ZINC001233398668	806054747	/nfs/dbraw/zinc/05/47/47/806054747.db2.gz	URGSDBUFESPRPY-SECBINFHSA-N	-1	2	275.732	0.839	20	0		CCADLM
O=C(Nn1c(=O)[n-][nH]c1=O)c1onc2ccccc21	ZINC001160074566	801903802	/nfs/dbraw/zinc/90/38/02/801903802.db2.gz	ZGQPLJFAVGVNNH-UHFFFAOYSA-N	-1	2	261.197	0.214	20	0		CCADLM
CO[C@@H]1COCC[C@H]1Nc1ccc([P@@](=O)([O-])O)cc1	ZINC001168196147	814899233	/nfs/dbraw/zinc/89/92/33/814899233.db2.gz	VVZHOFAXAWZSTR-VXGBXAGGSA-N	-1	2	287.252	0.705	20	0		CCADLM
CO[C@@H]1COCC[C@H]1Nc1ccc([P@](=O)([O-])O)cc1	ZINC001168196147	814899236	/nfs/dbraw/zinc/89/92/36/814899236.db2.gz	VVZHOFAXAWZSTR-VXGBXAGGSA-N	-1	2	287.252	0.705	20	0		CCADLM
O=[P@]([O-])(O)c1ccc(N[C@H]2C[C@@H](CO)C2)cc1	ZINC001168245670	814921086	/nfs/dbraw/zinc/92/10/86/814921086.db2.gz	BXENVYQLIRFORJ-WAAGHKOSSA-N	-1	2	257.226	0.672	20	0		CCADLM
O=[P@@]([O-])(O)c1ccc(N[C@H]2C[C@@H](CO)C2)cc1	ZINC001168245670	814921090	/nfs/dbraw/zinc/92/10/90/814921090.db2.gz	BXENVYQLIRFORJ-WAAGHKOSSA-N	-1	2	257.226	0.672	20	0		CCADLM
C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2O)C1	ZINC001032921383	818360983	/nfs/dbraw/zinc/36/09/83/818360983.db2.gz	PLVWKJHSFVPRIV-WDEREUQCSA-N	-1	2	291.351	0.412	20	0		CCADLM
O=C([O-])[C@@H](C(=O)NCCc1n[nH]c(=S)o1)C1CC1	ZINC001594833741	954008205	/nfs/dbraw/zinc/00/82/05/954008205.db2.gz	GHTBDOVJYIWEFM-SSDOTTSWSA-N	-1	2	271.298	0.128	20	0		CCADLM
C[C@@H]1CN(C(=O)C[C@@H]2SC(=N)NC2=O)CC[C@@H]1C(=O)[O-]	ZINC001589373591	954228023	/nfs/dbraw/zinc/22/80/23/954228023.db2.gz	VOZDYGJRQNJNPS-CSMHCCOUSA-N	-1	2	299.352	0.112	20	0		CCADLM
CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)CC(=O)[O-]	ZINC000050916897	957497357	/nfs/dbraw/zinc/49/73/57/957497357.db2.gz	ITKYYCJVOMMXAO-UHFFFAOYSA-N	-1	2	281.293	0.418	20	0		CCADLM
Cc1cccc(S(=O)(=O)Nc2nnn(C)n2)c1C(=O)[O-]	ZINC001571062580	960795696	/nfs/dbraw/zinc/79/56/96/960795696.db2.gz	WDEJPHSWZUKWOC-UHFFFAOYSA-N	-1	2	297.296	0.018	20	0		CCADLM
O=C([O-])[C@@H](C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1)C1CC1	ZINC001605893372	972703350	/nfs/dbraw/zinc/70/33/50/972703350.db2.gz	WXUCHAGXDIFCSC-RKDXNWHRSA-N	-1	2	294.311	0.327	20	0		CCADLM
CC[C@@H](OC(=O)C(C)(C)NC(=O)C(F)(F)F)C(=O)[O-]	ZINC001595332315	980579359	/nfs/dbraw/zinc/57/93/59/980579359.db2.gz	UTOBONQLLXRCAX-RXMQYKEDSA-N	-1	2	285.218	0.850	20	0		CCADLM
CC[C@@H](C)NC(=O)[C@H](C)[N@H+](CCC(=O)[O-])CC(=O)[O-]	ZINC001594986185	982810331	/nfs/dbraw/zinc/81/03/31/982810331.db2.gz	BCZYPOXORINNHL-BDAKNGLRSA-N	-1	2	274.317	0.151	20	0		CCADLM
CC[C@@H](C)NC(=O)[C@H](C)[N@@H+](CCC(=O)[O-])CC(=O)[O-]	ZINC001594986185	982810341	/nfs/dbraw/zinc/81/03/41/982810341.db2.gz	BCZYPOXORINNHL-BDAKNGLRSA-N	-1	2	274.317	0.151	20	0		CCADLM
CC(=O)N[C@H]1C(=O)N(c2cccc(C(=O)[O-])c2F)N=C1C	ZINC001589117585	985371307	/nfs/dbraw/zinc/37/13/07/985371307.db2.gz	AFHCCKLIUUXKII-LLVKDONJSA-N	-1	2	293.254	0.751	20	0		CCADLM
CC(=O)Nc1c(C)[nH]n(-c2cccc(C(=O)[O-])c2F)c1=O	ZINC001589117585	985371317	/nfs/dbraw/zinc/37/13/17/985371317.db2.gz	AFHCCKLIUUXKII-LLVKDONJSA-N	-1	2	293.254	0.751	20	0		CCADLM
CCc1[nH]c(C(=O)OCc2n[nH]c(=O)[nH]2)c(C)c1C(=O)[O-]	ZINC001597380602	987576668	/nfs/dbraw/zinc/57/66/68/987576668.db2.gz	SKGKZWJVURTULP-UHFFFAOYSA-N	-1	2	294.267	0.764	20	0		CCADLM
COC[C@H](NC(=O)c1cc(F)c(O)c(F)c1)C(=O)[O-]	ZINC001599171734	998617667	/nfs/dbraw/zinc/61/76/67/998617667.db2.gz	LNVMAQKANBNVNZ-QMMMGPOBSA-N	-1	2	275.207	0.500	20	0		CCADLM
Cn1nccc1S(=O)(=O)Nc1ccccc1C(=O)[O-]	ZINC000168980544	350834218	/nfs/dbraw/zinc/83/42/18/350834218.db2.gz	BJCNWZBEWPFQIC-UHFFFAOYSA-N	-1	2	281.293	0.919	20	0		CCADLM
O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cn[nH]n1	ZINC000531681229	358476991	/nfs/dbraw/zinc/47/69/91/358476991.db2.gz	ZULUCUYMCQNTDA-JQWIXIFHSA-N	-1	2	279.344	0.178	20	0		CCADLM
O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cnn[nH]1	ZINC000531681229	358476994	/nfs/dbraw/zinc/47/69/94/358476994.db2.gz	ZULUCUYMCQNTDA-JQWIXIFHSA-N	-1	2	279.344	0.178	20	0		CCADLM
O=C(Nc1cc[nH+]cc1O)[C@H]1CC12CCS(=O)(=O)CC2	ZINC000328848273	202080247	/nfs/dbraw/zinc/08/02/47/202080247.db2.gz	YJTQIRUCAJONLL-SECBINFHSA-N	-1	2	296.348	0.363	20	0		CCADLM
CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccn(C)n2)[nH]1	ZINC000585730875	359267849	/nfs/dbraw/zinc/26/78/49/359267849.db2.gz	LJSJBQNHGVPFLC-UHFFFAOYSA-N	-1	2	299.312	0.121	20	0		CCADLM
CC(C)Cc1nsc(NCCOCC(=O)[O-])n1	ZINC000634964608	372316186	/nfs/dbraw/zinc/31/61/86/372316186.db2.gz	FQTGBZLRBPTPHS-UHFFFAOYSA-N	-1	2	259.331	0.672	20	0		CCADLM
Cn1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)cn1	ZINC000124646484	284703799	/nfs/dbraw/zinc/70/37/99/284703799.db2.gz	QJWYUENHHRKXPR-UHFFFAOYSA-N	-1	2	297.292	0.625	20	0		CCADLM
CC(C)[C@@H](NC(=O)c1cccc2[nH]nnc21)C(N)=O	ZINC000187811786	388897437	/nfs/dbraw/zinc/89/74/37/388897437.db2.gz	QSRUAKLNFGXQRU-SECBINFHSA-N	-1	2	261.285	0.198	20	0		CCADLM
Cc1cc(F)ccc1N1CC(=O)C(C(=O)NCC(=O)[O-])=N1	ZINC000237659087	389193272	/nfs/dbraw/zinc/19/32/72/389193272.db2.gz	JXDDCPPYIYJVAG-UHFFFAOYSA-N	-1	2	293.254	0.840	20	0		CCADLM
O=c1[nH]nc([C@H]2CCCN(CC[N@@H+]3CCCOCC3)C2)[nH]1	ZINC000361397971	389214986	/nfs/dbraw/zinc/21/49/86/389214986.db2.gz	ZQVYVRHZPSVKBT-LBPRGKRZSA-N	-1	2	295.387	0.412	20	0		CCADLM
CNC(=O)CC(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1	ZINC000375469729	389679352	/nfs/dbraw/zinc/67/93/52/389679352.db2.gz	OCOQXDPOCNHUKZ-UHFFFAOYSA-N	-1	2	295.249	0.825	20	0		CCADLM
[NH3+]Cc1cc(C(=O)NC2(c3nn[nH]n3)CCCC2)co1	ZINC000444112767	389890509	/nfs/dbraw/zinc/89/05/09/389890509.db2.gz	CYBHTFGQZMIRGL-UHFFFAOYSA-N	-1	2	276.300	0.451	20	0		CCADLM
CO[C@@H](CS(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F)C1CC1	ZINC000565950785	390561559	/nfs/dbraw/zinc/56/15/59/390561559.db2.gz	JPBIXGOUVXBHMP-VHSXEESVSA-N	-1	2	298.355	0.328	20	0		CCADLM
CO[C@H](CS(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F)C1CC1	ZINC000565950783	390561717	/nfs/dbraw/zinc/56/17/17/390561717.db2.gz	JPBIXGOUVXBHMP-NXEZZACHSA-N	-1	2	298.355	0.328	20	0		CCADLM
C[N@@H+]1CC[C@@H]2CCN(C(=O)N=c3cccn[nH]3)[C@@H]2C1	ZINC000373113762	144393192	/nfs/dbraw/zinc/39/31/92/144393192.db2.gz	WIAXKDYFEQUXEW-GHMZBOCLSA-N	-1	2	261.329	0.456	20	0		CCADLM
CCN(C(=O)NC[C@@](C)(CC(=O)O)C(=O)[O-])C(C)C	ZINC000547934533	285989836	/nfs/dbraw/zinc/98/98/36/285989836.db2.gz	QQDZTEQGBJFSAZ-GFCCVEGCSA-N	-1	2	274.317	0.992	20	0		CCADLM
Cn1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1	ZINC000022158341	171363367	/nfs/dbraw/zinc/36/33/67/171363367.db2.gz	GLEDCRFVNHWZHH-UHFFFAOYSA-N	-1	2	270.270	0.247	20	0		CCADLM
O=C(NCCCc1n[nH]c(=O)[nH]1)[C@H]1CCC[N@@H+]1C1CC1	ZINC000574504591	327339257	/nfs/dbraw/zinc/33/92/57/327339257.db2.gz	AJBZHMADCZIURL-SNVBAGLBSA-N	-1	2	279.344	0.186	20	0		CCADLM
C[C@@H](CN=c1[nH]nc(C2CCOCC2)s1)C(=O)[O-]	ZINC000582609959	329116107	/nfs/dbraw/zinc/11/61/07/329116107.db2.gz	QWDXMRGWITYHRN-ZETCQYMHSA-N	-1	2	271.342	0.987	20	0		CCADLM
C[C@@H](O)CN1CC[N@H+](Cc2ncccc2O)[C@H](C)C1	ZINC000582872082	329278749	/nfs/dbraw/zinc/27/87/49/329278749.db2.gz	TUFCWTJOJBNGSQ-VXGBXAGGSA-N	-1	2	265.357	0.674	20	0		CCADLM
Cn1nncc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000682832787	545491117	/nfs/dbraw/zinc/49/11/17/545491117.db2.gz	IZWVFCWBLIRSTB-UHFFFAOYSA-N	-1	2	282.281	0.314	20	0		CCADLM
O=C(NCCc1nc(=O)o[n-]1)c1cccc(Cl)c1O	ZINC000790079428	581176529	/nfs/dbraw/zinc/17/65/29/581176529.db2.gz	KHWMKIAISQLZSC-UHFFFAOYSA-N	-1	2	283.671	0.694	20	0		CCADLM
O=C(NN1CCCC1=O)c1c([O-])cc(F)cc1F	ZINC000770544781	581751872	/nfs/dbraw/zinc/75/18/72/581751872.db2.gz	IEBYKAFJTAJLDX-UHFFFAOYSA-N	-1	2	256.208	0.938	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N2CCN(C(=O)[O-])C[C@@H]2C)n1	ZINC000830678875	603573658	/nfs/dbraw/zinc/57/36/58/603573658.db2.gz	RPLVSWTWFUNIKH-ZETCQYMHSA-N	-1	2	299.356	0.416	20	0		CCADLM
O=C([O-])Cn1cnc(NS(=O)(=O)c2ccccc2)n1	ZINC000833276471	600986993	/nfs/dbraw/zinc/98/69/93/600986993.db2.gz	HDXMFKSJTCQNMV-UHFFFAOYSA-N	-1	2	282.281	0.164	20	0		CCADLM
O=C([O-])C1(NC(=O)CCc2ncn[nH]2)CCCCC1	ZINC000833104184	601136588	/nfs/dbraw/zinc/13/65/88/601136588.db2.gz	CLRXVFUGUOFECZ-UHFFFAOYSA-N	-1	2	266.301	0.641	20	0		CCADLM
O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCc2n[nH]c(=O)[nH]2)C1	ZINC000392430906	601212379	/nfs/dbraw/zinc/21/23/79/601212379.db2.gz	USTGXUITIMGGEM-RNFRBKRXSA-N	-1	2	268.273	0.018	20	0		CCADLM
O=C([O-])N[C@@H]1CCC[C@H](C(=O)OCc2n[nH]c(=O)[nH]2)C1	ZINC000834170872	605955562	/nfs/dbraw/zinc/95/55/62/605955562.db2.gz	WDDOSTDHMRIYIM-NKWVEPMBSA-N	-1	2	284.272	0.380	20	0		CCADLM
NC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(-c2nn[nH]n2)cs1	ZINC000826389835	608501253	/nfs/dbraw/zinc/50/12/53/608501253.db2.gz	JLTLIFTUMYUVSI-SNVBAGLBSA-N	-1	2	292.368	0.768	20	0		CCADLM
NC(=O)[C@H]1CCCC[N@H+]1Cc1cc(-c2nn[nH]n2)cs1	ZINC000826389835	608501254	/nfs/dbraw/zinc/50/12/54/608501254.db2.gz	JLTLIFTUMYUVSI-SNVBAGLBSA-N	-1	2	292.368	0.768	20	0		CCADLM
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC/C=C\Cl	ZINC000900309582	633987973	/nfs/dbraw/zinc/98/79/73/633987973.db2.gz	CPPGJPNDYRWIKD-XRXBIWBOSA-N	-1	2	250.657	0.946	20	0		CCADLM
Cc1nc2ccccn2c1CNC(=O)N[C@H](C)C(=O)[O-]	ZINC000900309771	633988028	/nfs/dbraw/zinc/98/80/28/633988028.db2.gz	GMFXIGBIWUCDCB-SECBINFHSA-N	-1	2	276.296	0.915	20	0		CCADLM
C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](CCF)C(=O)[O-]	ZINC000848680126	643668018	/nfs/dbraw/zinc/66/80/18/643668018.db2.gz	AWCJOETWMLEVFR-RFZPGFLSSA-N	-1	2	281.227	0.669	20	0		CCADLM
CC[C@@H](C)C(=O)NCCC[N@H+](C)Cc1nc(=O)n(C)[nH]1	ZINC001234116323	806185259	/nfs/dbraw/zinc/18/52/59/806185259.db2.gz	VJSUDUWYYRUATP-SNVBAGLBSA-N	-1	2	283.376	0.093	20	0		CCADLM
O=[P@@]([O-])(O)c1ccc(NCCN2CCCCO2)cc1	ZINC001162425264	802336849	/nfs/dbraw/zinc/33/68/49/802336849.db2.gz	QLMILLKPNGNWSJ-UHFFFAOYSA-N	-1	2	286.268	0.929	20	0		CCADLM
O=[P@]([O-])(O)c1ccc(NCCN2CCCCO2)cc1	ZINC001162425264	802336857	/nfs/dbraw/zinc/33/68/57/802336857.db2.gz	QLMILLKPNGNWSJ-UHFFFAOYSA-N	-1	2	286.268	0.929	20	0		CCADLM
Cc1cc(C(F)F)oc1C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC001363140327	928912516	/nfs/dbraw/zinc/91/25/16/928912516.db2.gz	SLMCVSCYFRTYFQ-UHFFFAOYSA-N	-1	2	274.183	0.912	20	0		CCADLM
C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)C[C@@H]1SC(=N)NC1=O	ZINC001589298945	953674792	/nfs/dbraw/zinc/67/47/92/953674792.db2.gz	SFPHENZVRXUUSZ-CSMHCCOUSA-N	-1	2	299.352	0.255	20	0		CCADLM
CO[C@](C)(C(=O)[O-])C(=O)Nc1cc(C(F)(F)F)n[nH]1	ZINC001593930602	956173598	/nfs/dbraw/zinc/17/35/98/956173598.db2.gz	RGGBHSYDEBWBBS-QMMMGPOBSA-N	-1	2	281.190	0.857	20	0		CCADLM
COCCCONC(=O)[C@@H](C(=O)[O-])C1CCCC1	ZINC001593994825	956872157	/nfs/dbraw/zinc/87/21/57/956872157.db2.gz	UJEPMMRJGZDEHY-JTQLQIEISA-N	-1	2	259.302	0.962	20	0		CCADLM
C[C@H](NC(=O)C1(CC(=O)[O-])CCC1)C1=NN(C)CC1=O	ZINC001603219072	972336757	/nfs/dbraw/zinc/33/67/57/972336757.db2.gz	QLDQDENOHWJBDZ-QMMMGPOBSA-N	-1	2	281.312	0.948	20	0		CCADLM
C[C@H](NC(=O)C1(CC(=O)[O-])CCC1)c1nn(C)cc1O	ZINC001603219072	972336761	/nfs/dbraw/zinc/33/67/61/972336761.db2.gz	QLDQDENOHWJBDZ-QMMMGPOBSA-N	-1	2	281.312	0.948	20	0		CCADLM
C[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1nn(C)cc1O	ZINC001593181146	994068377	/nfs/dbraw/zinc/06/83/77/994068377.db2.gz	HWUBTKVQACBPJX-ZETCQYMHSA-N	-1	2	290.279	0.710	20	0		CCADLM
COCC[C@H](NC(=O)C(F)C(F)(F)F)C(=O)[O-]	ZINC001599213707	997546470	/nfs/dbraw/zinc/54/64/70/997546470.db2.gz	QWKXVYCFOSALOB-CRCLSJGQSA-N	-1	2	261.171	0.493	20	0		CCADLM
COCC[C@H](NC(=O)[C@@H](F)C(F)(F)F)C(=O)[O-]	ZINC001599213707	997546476	/nfs/dbraw/zinc/54/64/76/997546476.db2.gz	QWKXVYCFOSALOB-CRCLSJGQSA-N	-1	2	261.171	0.493	20	0		CCADLM
O=C([O-])c1ccc(NS(=O)(=O)c2cn[nH]c2)cc1O	ZINC000037744792	348200751	/nfs/dbraw/zinc/20/07/51/348200751.db2.gz	XDFAVWCQESVLBA-UHFFFAOYSA-N	-1	2	283.265	0.614	20	0		CCADLM
Cc1cc(C(=O)NCC[NH+]2CCOCC2)ccc1O	ZINC000226714470	352032281	/nfs/dbraw/zinc/03/22/81/352032281.db2.gz	QDJDFHUOULGPRX-UHFFFAOYSA-N	-1	2	264.325	0.763	20	0		CCADLM
CCC[C@@H](NC(=O)CSc1n[nH]c(C)n1)c1nn[nH]n1	ZINC000268239714	352819900	/nfs/dbraw/zinc/81/99/00/352819900.db2.gz	URNAEXNHYZVANN-SSDOTTSWSA-N	-1	2	296.360	0.376	20	0		CCADLM
O=C([O-])C1(NS(=O)(=O)CC(F)(F)F)CCCC1	ZINC000561160919	291119105	/nfs/dbraw/zinc/11/91/05/291119105.db2.gz	ISCGHRNRBNALPY-UHFFFAOYSA-N	-1	2	275.248	0.866	20	0		CCADLM
CC(C)[C@H](CO)CNC(=O)c1cccc2[nH]nnc21	ZINC000561727260	291134024	/nfs/dbraw/zinc/13/40/24/291134024.db2.gz	RVHLEMSGMDEFDY-VIFPVBQESA-N	-1	2	262.313	0.952	20	0		CCADLM
C[N@H+](C[C@H](O)C[NH+]1CCc2occc2[C@H]1C(=O)[O-])C1CC1	ZINC000530166196	358370588	/nfs/dbraw/zinc/37/05/88/358370588.db2.gz	LXBPDUMQGZZMHP-FZMZJTMJSA-N	-1	2	294.351	0.719	20	0		CCADLM
O=S(=O)(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ncc[nH]1	ZINC000632539876	371128336	/nfs/dbraw/zinc/12/83/36/371128336.db2.gz	RJXRSIHIDGCCDZ-WDEREUQCSA-N	-1	2	284.385	0.705	20	0		CCADLM
COCCN(CC(=O)[O-])C(=O)c1nc(C)sc1C	ZINC000190688104	388997603	/nfs/dbraw/zinc/99/76/03/388997603.db2.gz	KWQPTFUIAGORLS-UHFFFAOYSA-N	-1	2	272.326	0.933	20	0		CCADLM
C[C@@H](c1nncn1C)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC000329627288	389178473	/nfs/dbraw/zinc/17/84/73/389178473.db2.gz	GWOHQNFQDWDQII-IUCAKERBSA-N	-1	2	277.332	0.579	20	0		CCADLM
Cc1ccc(-c2noc(=NCCc3nc(N)no3)[n-]2)cc1	ZINC000351857567	389699945	/nfs/dbraw/zinc/69/99/45/389699945.db2.gz	XWWNZRTXESTGCW-UHFFFAOYSA-N	-1	2	286.295	0.917	20	0		CCADLM
Cc1nc(=N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)s[nH]1	ZINC000416446467	389745007	/nfs/dbraw/zinc/74/50/07/389745007.db2.gz	PIMOPQZRFFGQFE-DTWKUNHWSA-N	-1	2	298.368	0.390	20	0		CCADLM
Cn1cnnc1CNC(=O)c1cccc2[nH]nnc21	ZINC000526112763	390676750	/nfs/dbraw/zinc/67/67/50/390676750.db2.gz	IBEOKGLPWHQPFN-UHFFFAOYSA-N	-1	2	257.257	0.016	20	0		CCADLM
O=C([O-])c1ccc[nH+]c1N[C@@H]1C[C@H](C(=O)[O-])C[C@H]1O	ZINC000662895674	414875002	/nfs/dbraw/zinc/87/50/02/414875002.db2.gz	FUUAINSSADLJFJ-NBEYISGCSA-N	-1	2	266.253	0.416	20	0		CCADLM
O=C([O-])c1ccc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)[nH+]c1	ZINC000662899945	414880193	/nfs/dbraw/zinc/88/01/93/414880193.db2.gz	ZUJGPKWNYJHLKY-DJLDLDEBSA-N	-1	2	266.253	0.416	20	0		CCADLM
O=c1[nH]nc(CN=c2nc(C(F)(F)F)[n-]s2)[nH]1	ZINC000392646865	545087578	/nfs/dbraw/zinc/08/75/78/545087578.db2.gz	LRNFLJSLYXPBNE-UHFFFAOYSA-N	-1	2	266.208	0.415	20	0		CCADLM
CC(C)C[C@H](CNC(=O)N=c1cccn[nH]1)C(=O)[O-]	ZINC000424377397	528525405	/nfs/dbraw/zinc/52/54/05/528525405.db2.gz	DJXPZHXGIHHLER-SECBINFHSA-N	-1	2	266.301	0.767	20	0		CCADLM
O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1nc(=O)c2sccc2[nH]1	ZINC000228610367	600140077	/nfs/dbraw/zinc/14/00/77/600140077.db2.gz	IZUZSMGOLKFONZ-SVRRBLITSA-N	-1	2	295.320	0.004	20	0		CCADLM
O=C([O-])[C@@H]1CCC[C@H](C(=O)NCc2n[nH]c(=O)[nH]2)C1	ZINC000392430905	601212315	/nfs/dbraw/zinc/21/23/15/601212315.db2.gz	USTGXUITIMGGEM-NKWVEPMBSA-N	-1	2	268.273	0.018	20	0		CCADLM
C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccnc(-c2nn[nH]n2)c1	ZINC000825019123	607514094	/nfs/dbraw/zinc/51/40/94/607514094.db2.gz	CDSQTCXCPHHVAO-ZJUUUORDSA-N	-1	2	274.328	0.871	20	0		CCADLM
Cc1ccc(S(=O)(=O)Nc2ncn(CC(=O)[O-])n2)o1	ZINC000833751411	605012076	/nfs/dbraw/zinc/01/20/76/605012076.db2.gz	WUHTWSLFADTVRJ-UHFFFAOYSA-N	-1	2	286.269	0.065	20	0		CCADLM
O=C([O-])N[C@H](CC(F)F)C(=O)OCCc1cnn[nH]1	ZINC000834137727	606089758	/nfs/dbraw/zinc/08/97/58/606089758.db2.gz	NRSPTTCOQLTGJV-ZCFIWIBFSA-N	-1	2	278.215	0.182	20	0		CCADLM
CCCc1ncc(C(=O)Nn2c(=O)[n-][nH]c2=O)s1	ZINC000816732388	614495704	/nfs/dbraw/zinc/49/57/04/614495704.db2.gz	DYHBYVAZLKYYGY-UHFFFAOYSA-N	-1	2	269.286	0.482	20	0		CCADLM
CCc1cc(=O)[nH]c(CN(C)[C@@H]2CC[N@H+]3CCO[C@H]2C3)n1	ZINC000333400219	615659104	/nfs/dbraw/zinc/65/91/04/615659104.db2.gz	INECDCBBOKJYIK-OLZOCXBDSA-N	-1	2	292.383	0.650	20	0		CCADLM
Cc1n[nH]c(C(=O)N2CCC[N@@H+](CCCF)CC2)c1[O-]	ZINC000980981733	631089522	/nfs/dbraw/zinc/08/95/22/631089522.db2.gz	GTDUQKXALNAUIU-UHFFFAOYSA-N	-1	2	284.335	0.931	20	0		CCADLM
C[C@H]1C(=O)N([N-]C(=O)c2c(O)cc(F)cc2F)C(=O)N1C	ZINC000899031167	633716440	/nfs/dbraw/zinc/71/64/40/633716440.db2.gz	JZNLPCLTDGSJAU-YFKPBYRVSA-N	-1	2	299.233	0.598	20	0		CCADLM
O=C(Nn1c(=O)[n-][nH]c1=O)c1cc2cc(F)ccc2o1	ZINC000816731204	641202575	/nfs/dbraw/zinc/20/25/75/641202575.db2.gz	FXMHTGSKVDHERZ-UHFFFAOYSA-N	-1	2	278.199	0.959	20	0		CCADLM
O=C(Nn1c(=O)[n-][nH]c1=O)c1scnc1C1CC1	ZINC000816730592	641202836	/nfs/dbraw/zinc/20/28/36/641202836.db2.gz	GJYROSRFIBVKMJ-UHFFFAOYSA-N	-1	2	267.270	0.407	20	0		CCADLM
O=C1OCC[C@H]1Oc1ccc(O[P@](=O)([O-])O)cc1	ZINC001234338644	806226911	/nfs/dbraw/zinc/22/69/11/806226911.db2.gz	MDRKBHIROPCKTC-SECBINFHSA-N	-1	2	274.165	0.852	20	0		CCADLM
O=C1OCC[C@H]1Oc1ccc(O[P@@](=O)([O-])O)cc1	ZINC001234338644	806226917	/nfs/dbraw/zinc/22/69/17/806226917.db2.gz	MDRKBHIROPCKTC-SECBINFHSA-N	-1	2	274.165	0.852	20	0		CCADLM
Nc1cc(F)c(F)cc1C(=O)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001153001047	800580157	/nfs/dbraw/zinc/58/01/57/800580157.db2.gz	IOCANTUSPXTSOW-ZCFIWIBFSA-N	-1	2	294.265	0.690	20	0		CCADLM
Nc1cc(F)c(F)cc1C(=O)N1CC[C@@H](c2nn[n-]n2)C1	ZINC001153001047	800580161	/nfs/dbraw/zinc/58/01/61/800580161.db2.gz	IOCANTUSPXTSOW-ZCFIWIBFSA-N	-1	2	294.265	0.690	20	0		CCADLM
O=[P@@]([O-])(O)c1ccc(N[C@@H]2C=CS(=O)(=O)C2)cc1	ZINC001164023630	802655541	/nfs/dbraw/zinc/65/55/41/802655541.db2.gz	SVYDYYAWKVMUAQ-SECBINFHSA-N	-1	2	289.249	0.212	20	0		CCADLM
O=[P@]([O-])(O)c1ccc(N[C@@H]2C=CS(=O)(=O)C2)cc1	ZINC001164023630	802655547	/nfs/dbraw/zinc/65/55/47/802655547.db2.gz	SVYDYYAWKVMUAQ-SECBINFHSA-N	-1	2	289.249	0.212	20	0		CCADLM
C[C@@H]1CN(C(=O)C(F)F)CC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1	ZINC001035869732	819644004	/nfs/dbraw/zinc/64/40/04/819644004.db2.gz	UWGRBGHKHFUCLE-RQJHMYQMSA-N	-1	2	289.286	0.102	20	0		CCADLM
Cc1ccc(S(=O)(=O)Nc2ncn(C)n2)cc1C(=O)[O-]	ZINC001184652524	844271744	/nfs/dbraw/zinc/27/17/44/844271744.db2.gz	CAYHHBJOTVSWJG-UHFFFAOYSA-N	-1	2	296.308	0.623	20	0		CCADLM
Cc1ncc(CO)c(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1O	ZINC001147836498	840694639	/nfs/dbraw/zinc/69/46/39/840694639.db2.gz	KSCXEIPVCKFTIT-VHSXEESVSA-N	-1	2	293.367	0.753	20	0		CCADLM
Nc1cncc(S(=O)(=O)Nc2cncc(C(=O)[O-])c2)c1	ZINC001175841216	842286337	/nfs/dbraw/zinc/28/63/37/842286337.db2.gz	UHOAZMLDRXSZTH-UHFFFAOYSA-N	-1	2	294.292	0.558	20	0		CCADLM
COc1ccc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)c(O)c1	ZINC000687595026	849121967	/nfs/dbraw/zinc/12/19/67/849121967.db2.gz	DYQCYEGQEVJZJS-JTQLQIEISA-N	-1	2	280.324	0.149	20	0		CCADLM
C[C@@H](C(F)(F)F)S(=O)(=O)NC1(C(=O)[O-])CC1	ZINC000381174335	849738851	/nfs/dbraw/zinc/73/88/51/849738851.db2.gz	UVQPYACHDZVVPQ-BYPYZUCNSA-N	-1	2	261.221	0.474	20	0		CCADLM
O=C(Nn1c(=O)[n-][nH]c1=O)c1cc(Cl)cs1	ZINC001298668166	907299752	/nfs/dbraw/zinc/29/97/52/907299752.db2.gz	OJJHJLOBCTXSNC-UHFFFAOYSA-N	-1	2	260.662	0.788	20	0		CCADLM
O=C(c1cncc(O)c1)N1CCSC[C@@H]1c1nn[n-]n1	ZINC001362688804	928359655	/nfs/dbraw/zinc/35/96/55/928359655.db2.gz	XDIURBHZNWPWDF-SECBINFHSA-N	-1	2	292.324	0.231	20	0		CCADLM
CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCCc1n[nH]c(=S)o1	ZINC001602852578	971691126	/nfs/dbraw/zinc/69/11/26/971691126.db2.gz	MLMJPIZZWHIYKC-SSDOTTSWSA-N	-1	2	287.341	0.764	20	0		CCADLM
O=C([O-])CNC(=O)c1ccc(CNC(=O)C(F)(F)F)o1	ZINC001595103509	951874382	/nfs/dbraw/zinc/87/43/82/951874382.db2.gz	RYYJIHTZHITSAK-UHFFFAOYSA-N	-1	2	294.185	0.273	20	0		CCADLM
CCC(CC)(C(=O)[O-])C(=O)OCc1n[nH]c(=O)[nH]1	ZINC001589481162	954974485	/nfs/dbraw/zinc/97/44/85/954974485.db2.gz	MKUFFKRRXJELNO-UHFFFAOYSA-N	-1	2	257.246	0.445	20	0		CCADLM
O=C([O-])[C@H]1COCCN1C(=O)c1cccc(Cl)c1O	ZINC001594957675	954992561	/nfs/dbraw/zinc/99/25/61/954992561.db2.gz	TUEFTVDTFMXPLT-SECBINFHSA-N	-1	2	285.683	0.971	20	0		CCADLM
C[C@@H](CNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1)C(=O)[O-]	ZINC001589049371	955642046	/nfs/dbraw/zinc/64/20/46/955642046.db2.gz	NDXQRIOXYNMIRF-JGVFFNPUSA-N	-1	2	297.315	0.120	20	0		CCADLM
C[C@@H](CNC(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1)C(=O)[O-]	ZINC001589049373	955642332	/nfs/dbraw/zinc/64/23/32/955642332.db2.gz	NDXQRIOXYNMIRF-YUMQZZPRSA-N	-1	2	297.315	0.120	20	0		CCADLM
C[C@@H](NCc1n[nH]c(=O)[nH]1)c1ncc(C(=O)[O-])s1	ZINC000315378566	963892538	/nfs/dbraw/zinc/89/25/38/963892538.db2.gz	SEHRAFYRQBYGJJ-SCSAIBSYSA-N	-1	2	269.286	0.104	20	0		CCADLM
O=C([O-])[C@@]1(C(=O)NCCc2n[nH]c(=S)o2)CC=CCC1	ZINC001605928472	972843579	/nfs/dbraw/zinc/84/35/79/972843579.db2.gz	DIMMEYPLBLXBBO-LBPRGKRZSA-N	-1	2	297.336	0.828	20	0		CCADLM
CC(C)(CNC(=O)C[C@@H]1SC(=N)NC1=O)CC(=O)[O-]	ZINC001590708483	990460362	/nfs/dbraw/zinc/46/03/62/990460362.db2.gz	LJFUYKIFJOLDID-LURJTMIESA-N	-1	2	287.341	0.160	20	0		CCADLM
C[C@@H]1C[C@@H](C(=O)[O-])CN(c2cc[nH+]c(C(=O)[O-])n2)C1	ZINC001594209035	998808656	/nfs/dbraw/zinc/80/86/56/998808656.db2.gz	BMGHALGPNABGHL-HTQZYQBOSA-N	-1	2	265.269	0.722	20	0		CCADLM
COC(=O)C1CCN(C(=O)N=c2ccc(OC)n[n-]2)CC1	ZINC000346638727	137296349	/nfs/dbraw/zinc/29/63/49/137296349.db2.gz	SMONHMZWJATCDG-UHFFFAOYSA-N	-1	2	294.311	0.324	20	0		CCADLM
COc1ncccc1NC(=O)NCCc1n[n-]c(=N)o1	ZINC000346637967	137296365	/nfs/dbraw/zinc/29/63/65/137296365.db2.gz	FXJYHGGRVGOXCU-UHFFFAOYSA-N	-1	2	278.272	0.250	20	0		CCADLM
COc1ccc(=NC(=O)N(C)CCCCCO)[n-]n1	ZINC000346683250	137298683	/nfs/dbraw/zinc/29/86/83/137298683.db2.gz	QCWUFCOYMZMDJT-UHFFFAOYSA-N	-1	2	268.317	0.533	20	0		CCADLM
O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C(F)(F)F	ZINC000363219504	138087541	/nfs/dbraw/zinc/08/75/41/138087541.db2.gz	SKXJWEWLJNNWJU-JTQLQIEISA-N	-1	2	295.305	0.071	20	0		CCADLM
CC(C)[C@@H](CO)CNC(=O)c1cccc2[nH]nnc21	ZINC000561727259	291133879	/nfs/dbraw/zinc/13/38/79/291133879.db2.gz	RVHLEMSGMDEFDY-SECBINFHSA-N	-1	2	262.313	0.952	20	0		CCADLM
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)NCC(F)(F)F	ZINC000037656107	304106077	/nfs/dbraw/zinc/10/60/77/304106077.db2.gz	SUVNDJAGCKZAQI-LURJTMIESA-N	-1	2	290.263	0.322	20	0		CCADLM
C[C@@H]1[C@H](NC(=O)c2cccc3[nH]nnc32)CCS1(=O)=O	ZINC000628939222	369477684	/nfs/dbraw/zinc/47/76/84/369477684.db2.gz	RADVDVKQELIVQH-VXNVDRBHSA-N	-1	2	294.336	0.263	20	0		CCADLM
C[C@H]1CN(C(=O)N=c2cccn[nH]2)CC[C@@H]1C(=O)[O-]	ZINC000630564119	370173033	/nfs/dbraw/zinc/17/30/33/370173033.db2.gz	YDJWLKQNLWAPEE-IUCAKERBSA-N	-1	2	264.285	0.473	20	0		CCADLM
Cc1nsc(NC[C@]2(C(=O)[O-])CCCOC2)n1	ZINC000630463621	370126610	/nfs/dbraw/zinc/12/66/10/370126610.db2.gz	OEKKVELLLHQISZ-SNVBAGLBSA-N	-1	2	257.315	0.562	20	0		CCADLM
CC[C@H](C)[C@@H](NS(=O)(=O)CC(F)(F)F)C(=O)[O-]	ZINC000567800240	291514855	/nfs/dbraw/zinc/51/48/55/291514855.db2.gz	BKRVGOBGENACFS-NTSWFWBYSA-N	-1	2	277.264	0.967	20	0		CCADLM
COCc1nnc(CNS(=O)(=O)c2ccc(C)o2)[nH]1	ZINC000657104778	412888852	/nfs/dbraw/zinc/88/88/52/412888852.db2.gz	VFWLGKWKFLYWBT-UHFFFAOYSA-N	-1	2	286.313	0.331	20	0		CCADLM
NC(=O)C1CCC(NC(=O)c2cccc3[nH]nnc32)CC1	ZINC000526113819	390676914	/nfs/dbraw/zinc/67/69/14/390676914.db2.gz	QJEOCUOSYDUBIG-UHFFFAOYSA-N	-1	2	287.323	0.732	20	0		CCADLM
Cc1nc(S(=O)(=O)N[C@@H](C)c2[nH+]ccn2C)cn1C	ZINC000660104285	414116900	/nfs/dbraw/zinc/11/69/00/414116900.db2.gz	OXYPFFRPJJWCHB-QMMMGPOBSA-N	-1	2	283.357	0.502	20	0		CCADLM
O=C([O-])Cn1cc(NS(=O)(=O)c2cccs2)cn1	ZINC000038030495	174022430	/nfs/dbraw/zinc/02/24/30/174022430.db2.gz	HOVDPAZZUVLLBF-UHFFFAOYSA-N	-1	2	287.322	0.830	20	0		CCADLM
CC(C)C[C@H](NS(=O)(=O)NCC(F)(F)F)C(=O)[O-]	ZINC000126220595	279193792	/nfs/dbraw/zinc/19/37/92/279193792.db2.gz	VEEOYUIRORTRAU-LURJTMIESA-N	-1	2	292.279	0.472	20	0		CCADLM
O=C([O-])c1ccccc1NC(=O)NCc1n[nH]c(=O)[nH]1	ZINC000392439740	598179304	/nfs/dbraw/zinc/17/93/04/598179304.db2.gz	ZYRYNDJOCJEWMN-UHFFFAOYSA-N	-1	2	277.240	0.530	20	0		CCADLM
Cc1cc(NS(=O)(=O)c2cn[nH]c2)c(C(=O)[O-])[nH]1	ZINC000163440126	600254513	/nfs/dbraw/zinc/25/45/13/600254513.db2.gz	WQDKIFICQFHLIR-UHFFFAOYSA-N	-1	2	270.270	0.545	20	0		CCADLM
O=C([O-])c1ccc(C(=O)NCc2n[nH]c(=O)[nH]2)cc1	ZINC000392428433	601384507	/nfs/dbraw/zinc/38/45/07/601384507.db2.gz	MRNXTAPEMNLSIB-UHFFFAOYSA-N	-1	2	262.225	0.139	20	0		CCADLM
O=C([O-])CNC(=O)C1=NN(c2ccc(F)cc2)CC1=O	ZINC000819532225	601755477	/nfs/dbraw/zinc/75/54/77/601755477.db2.gz	BZKRCKNOOYAUOE-UHFFFAOYSA-N	-1	2	279.227	0.531	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N(C)[C@H]2CCN(C(=O)[O-])C2)n1	ZINC000830678266	603872326	/nfs/dbraw/zinc/87/23/26/603872326.db2.gz	NMFGQYRTSQWMAO-QMMMGPOBSA-N	-1	2	299.356	0.416	20	0		CCADLM
O=C([O-])c1cccc(CC(=O)NCc2n[nH]c(=O)[nH]2)c1	ZINC000833765511	604771118	/nfs/dbraw/zinc/77/11/18/604771118.db2.gz	AZRJAKPDWLTBRD-UHFFFAOYSA-N	-1	2	276.252	0.067	20	0		CCADLM
O=C([O-])NC1(C(=O)OCc2n[nH]c(=O)[nH]2)CCCC1	ZINC000834153572	605954985	/nfs/dbraw/zinc/95/49/85/605954985.db2.gz	GXBNQPLNRNKBIP-UHFFFAOYSA-N	-1	2	270.245	0.134	20	0		CCADLM
C[C@]1(C(=O)OCc2n[nH]c(=O)[nH]2)CCCN1C(=O)[O-]	ZINC000833822391	605955590	/nfs/dbraw/zinc/95/55/90/605955590.db2.gz	MRMFZKGOECOJLA-SNVBAGLBSA-N	-1	2	270.245	0.086	20	0		CCADLM
CC(C)c1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)nc1	ZINC000854611563	614309754	/nfs/dbraw/zinc/30/97/54/614309754.db2.gz	ZRDOGDOSRCNTCM-UHFFFAOYSA-N	-1	2	263.257	0.592	20	0		CCADLM
CCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-])[NH+](C)C	ZINC000833648059	614973343	/nfs/dbraw/zinc/97/33/43/614973343.db2.gz	OMHGSBYBXJCANA-QWRGUYRKSA-N	-1	2	282.344	0.252	20	0		CCADLM
Cn1cnc(CNC(=O)N[C@](C)(CCF)C(=O)[O-])c1	ZINC000900308763	633987634	/nfs/dbraw/zinc/98/76/34/633987634.db2.gz	OJMHSCNICYVOIU-LLVKDONJSA-N	-1	2	272.280	0.422	20	0		CCADLM
COc1ncc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C)s1	ZINC000913971190	637478329	/nfs/dbraw/zinc/47/83/29/637478329.db2.gz	YUPMMPAYGXFVKX-QMMMGPOBSA-N	-1	2	291.398	0.524	20	0		CCADLM
O=[P@@]([O-])(O)c1ccc(N[C@H]2CCS(=O)(=O)C2)cc1	ZINC001162507663	802357418	/nfs/dbraw/zinc/35/74/18/802357418.db2.gz	ZDHKEIYINRJLSR-VIFPVBQESA-N	-1	2	291.265	0.089	20	0		CCADLM
O=[P@]([O-])(O)c1ccc(N[C@H]2CCS(=O)(=O)C2)cc1	ZINC001162507663	802357424	/nfs/dbraw/zinc/35/74/24/802357424.db2.gz	ZDHKEIYINRJLSR-VIFPVBQESA-N	-1	2	291.265	0.089	20	0		CCADLM
COC(C)(CNc1ccc([P@@](=O)([O-])O)cc1)OC	ZINC001170442718	837484724	/nfs/dbraw/zinc/48/47/24/837484724.db2.gz	LBXHHGHXOUNBFS-UHFFFAOYSA-N	-1	2	275.241	0.911	20	0		CCADLM
COC(C)(CNc1ccc([P@](=O)([O-])O)cc1)OC	ZINC001170442718	837484728	/nfs/dbraw/zinc/48/47/28/837484728.db2.gz	LBXHHGHXOUNBFS-UHFFFAOYSA-N	-1	2	275.241	0.911	20	0		CCADLM
C[C@@H]1CCN(C(=O)CCc2ncn[nH]2)[C@H](C(=O)[O-])C1	ZINC001119580930	856753205	/nfs/dbraw/zinc/75/32/05/856753205.db2.gz	RVQHUYGJNGRIRI-BDAKNGLRSA-N	-1	2	266.301	0.449	20	0		CCADLM
C[C@H](O)CC[N@@H+](C)Cc1nc2c(c(=O)[nH]1)COCC2	ZINC001352888817	925666373	/nfs/dbraw/zinc/66/63/73/925666373.db2.gz	QYQYXRNZMRAQFY-VIFPVBQESA-N	-1	2	267.329	0.458	20	0		CCADLM
Cc1[nH]nc(C(=O)N(Cc2nn[nH]n2)CC(C)C)c1[O-]	ZINC001363277191	929062780	/nfs/dbraw/zinc/06/27/80/929062780.db2.gz	QPIQXMAJCQYWRV-UHFFFAOYSA-N	-1	2	279.304	0.235	20	0		CCADLM
O=C([O-])[C@H](Cc1ccncc1)NC(=O)C(F)(F)F	ZINC000257721052	950034234	/nfs/dbraw/zinc/03/42/34/950034234.db2.gz	VOGAOHYAYFWPQL-ZETCQYMHSA-N	-1	2	262.187	0.756	20	0		CCADLM
C[C@@H]1CCCN(C(=O)C[C@@H]2SC(=N)NC2=O)[C@H]1C(=O)[O-]	ZINC001589325592	953905006	/nfs/dbraw/zinc/90/50/06/953905006.db2.gz	GVBBVJYEVPFNMC-BKPPORCPSA-N	-1	2	299.352	0.255	20	0		CCADLM
CC(C)[C@@H](C(=O)[O-])C(=O)N[C@@H](C)C1=NN(C)CC1=O	ZINC001589088212	955914794	/nfs/dbraw/zinc/91/47/94/955914794.db2.gz	KNXBCSHHJYCLFC-IONNQARKSA-N	-1	2	269.301	0.660	20	0		CCADLM
CC(C)[C@@H](C(=O)[O-])C(=O)N[C@@H](C)c1nn(C)cc1O	ZINC001589088212	955914800	/nfs/dbraw/zinc/91/48/00/955914800.db2.gz	KNXBCSHHJYCLFC-IONNQARKSA-N	-1	2	269.301	0.660	20	0		CCADLM
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)C(F)C(F)(F)F)C2	ZINC001574512825	961815823	/nfs/dbraw/zinc/81/58/23/961815823.db2.gz	XYCGRLXJVVCLPD-MYINAIGISA-N	-1	2	285.193	0.446	20	0		CCADLM
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C2	ZINC001574512825	961815838	/nfs/dbraw/zinc/81/58/38/961815838.db2.gz	XYCGRLXJVVCLPD-MYINAIGISA-N	-1	2	285.193	0.446	20	0		CCADLM
NC(=O)NC(=O)OCCC[N@H+](CC(F)F)C1CC1	ZINC000125140238	350115089	/nfs/dbraw/zinc/11/50/89/350115089.db2.gz	SOBHPXTXIRGDMO-UHFFFAOYSA-N	-1	2	265.260	0.911	20	0		CCADLM
O=c1[nH]nc(CCCN=c2[n-]nc(C(F)F)s2)[nH]1	ZINC000360990196	138018301	/nfs/dbraw/zinc/01/83/01/138018301.db2.gz	JMTAEFNGJMITMH-UHFFFAOYSA-N	-1	2	276.272	0.766	20	0		CCADLM
CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1	ZINC000355734179	356635251	/nfs/dbraw/zinc/63/52/51/356635251.db2.gz	UJQBKIIXVKYXJY-GFCCVEGCSA-N	-1	2	254.334	0.883	20	0		CCADLM
Cc1cn2c([nH+]1)CN(C(=O)c1cc(=O)[nH]cn1)CC2	ZINC000626417334	368541163	/nfs/dbraw/zinc/54/11/63/368541163.db2.gz	MURPFLGGVIVTBM-UHFFFAOYSA-N	-1	2	259.269	0.343	20	0		CCADLM
CCc1cc(=O)[nH]c(C[NH+]2[C@@H](CO)CC[C@@H]2CO)n1	ZINC000287452937	388851754	/nfs/dbraw/zinc/85/17/54/388851754.db2.gz	QSYXFGJICGNZLH-GHMZBOCLSA-N	-1	2	267.329	0.062	20	0		CCADLM
CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N=c1nc2n([nH]1)CCCC2	ZINC000333828495	389445833	/nfs/dbraw/zinc/44/58/33/389445833.db2.gz	IYLGDMASYXWCBW-NSHDSACASA-N	-1	2	292.387	0.594	20	0		CCADLM
O=C([O-])c1cccc(N2CCO[C@H](C(=O)[O-])C2)[nH+]1	ZINC000668131361	545165033	/nfs/dbraw/zinc/16/50/33/545165033.db2.gz	RKTBFTQOCXQHDN-QMMMGPOBSA-N	-1	2	252.226	0.070	20	0		CCADLM
C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCNC(=O)C1	ZINC000736197917	581713487	/nfs/dbraw/zinc/71/34/87/581713487.db2.gz	DRENEZHDVQCCDV-SECBINFHSA-N	-1	2	272.312	0.360	20	0		CCADLM
O=C([O-])c1ccc(C(=O)OCc2n[nH]c(=O)[nH]2)cc1	ZINC000821545107	598172738	/nfs/dbraw/zinc/17/27/38/598172738.db2.gz	RJPTYWKUNOMURU-UHFFFAOYSA-N	-1	2	263.209	0.566	20	0		CCADLM
N=C1NC(=O)[C@H](CC(=O)NCC2(C(=O)[O-])CCCC2)S1	ZINC000833089730	601707168	/nfs/dbraw/zinc/70/71/68/601707168.db2.gz	WMVAIHFHFZZUMQ-ZETCQYMHSA-N	-1	2	299.352	0.304	20	0		CCADLM
N=C1NC(=O)[C@@H](CC(=O)N2CCC[C@H]2CC(=O)[O-])S1	ZINC000833087811	604751898	/nfs/dbraw/zinc/75/18/98/604751898.db2.gz	DLZVTTMAGQSCQS-NKWVEPMBSA-N	-1	2	285.325	0.009	20	0		CCADLM
CCOC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[nH]1	ZINC000934276475	615306713	/nfs/dbraw/zinc/30/67/13/615306713.db2.gz	NHCMMGGEAYPQPM-WDEREUQCSA-N	-1	2	297.355	0.725	20	0		CCADLM
NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1O	ZINC001024336838	623289199	/nfs/dbraw/zinc/28/91/99/623289199.db2.gz	INGFNZRAADFXKD-LLVKDONJSA-N	-1	2	291.351	0.462	20	0		CCADLM
O=S(=O)(NCC[NH+]1CCC1)c1c[nH]nc1Cl	ZINC000830929102	642302269	/nfs/dbraw/zinc/30/22/69/642302269.db2.gz	JYGMXVPVXQKZEI-UHFFFAOYSA-N	-1	2	264.738	0.047	20	0		CCADLM
O=C(NCCC[N@@H+]1CCc2ncncc2C1)C(F)(F)F	ZINC000880596892	647238153	/nfs/dbraw/zinc/23/81/53/647238153.db2.gz	DYPJDKYGEWPGFN-UHFFFAOYSA-N	-1	2	288.273	0.903	20	0		CCADLM
O=C([N-]CCCS(=O)(=O)c1ncc[nH]1)C(F)(F)F	ZINC000091577474	649706719	/nfs/dbraw/zinc/70/67/19/649706719.db2.gz	OBUOCZIZELEWBP-UHFFFAOYSA-N	-1	2	285.247	0.252	20	0		CCADLM
O=C1CC[C@H](CNc2ccc([P@](=O)([O-])O)cc2)N1	ZINC001164174532	802682577	/nfs/dbraw/zinc/68/25/77/802682577.db2.gz	VAUSZPJEVUVILW-SECBINFHSA-N	-1	2	270.225	0.180	20	0		CCADLM
O=C1CC[C@H](CNc2ccc([P@@](=O)([O-])O)cc2)N1	ZINC001164174532	802682582	/nfs/dbraw/zinc/68/25/82/802682582.db2.gz	VAUSZPJEVUVILW-SECBINFHSA-N	-1	2	270.225	0.180	20	0		CCADLM
CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2O)C1	ZINC001032909808	818354723	/nfs/dbraw/zinc/35/47/23/818354723.db2.gz	HVLBGPIJUDFKRF-NSHDSACASA-N	-1	2	291.351	0.285	20	0		CCADLM
Cc1cc(C(=O)NCc2nn[nH]n2)nn1-c1cc[nH+]cc1	ZINC001197544290	846931116	/nfs/dbraw/zinc/93/11/16/846931116.db2.gz	VVWQBJLFHVNIPJ-UHFFFAOYSA-N	-1	2	284.283	0.019	20	0		CCADLM
C[N@@H+]1CCC12CN(C(=O)c1cc(=O)[nH]c(C3CC3)n1)C2	ZINC001274365523	848460871	/nfs/dbraw/zinc/46/08/71/848460871.db2.gz	FJRGVTPIPDAKPE-UHFFFAOYSA-N	-1	2	274.324	0.590	20	0		CCADLM
COC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1ncccc1O	ZINC001038185000	849811877	/nfs/dbraw/zinc/81/18/77/849811877.db2.gz	UPHQMCXTRZNZHD-QWRGUYRKSA-N	-1	2	279.340	0.626	20	0		CCADLM
C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)C[C@H]1SC(=N)NC1=O	ZINC001589298946	953675393	/nfs/dbraw/zinc/67/53/93/953675393.db2.gz	SFPHENZVRXUUSZ-GJMOJQLCSA-N	-1	2	299.352	0.255	20	0		CCADLM
O=C([O-])C1(C(=O)OCc2n[nH]c(=O)[nH]2)CCSCC1	ZINC001594879181	954402820	/nfs/dbraw/zinc/40/28/20/954402820.db2.gz	VEPXIGLXFUUGSA-UHFFFAOYSA-N	-1	2	287.297	0.152	20	0		CCADLM
O=C([O-])C1(NC(=O)C(F)C(F)(F)F)CCOCC1	ZINC001594723806	956982020	/nfs/dbraw/zinc/98/20/20/956982020.db2.gz	KVDHEFDQXYTZRX-YFKPBYRVSA-N	-1	2	273.182	0.637	20	0		CCADLM
O=C([O-])C1(NC(=O)[C@H](F)C(F)(F)F)CCOCC1	ZINC001594723806	956982030	/nfs/dbraw/zinc/98/20/30/956982030.db2.gz	KVDHEFDQXYTZRX-YFKPBYRVSA-N	-1	2	273.182	0.637	20	0		CCADLM
Cc1ccc(S(=O)(=O)Nc2nnn(C)n2)cc1C(=O)[O-]	ZINC000127092955	958606802	/nfs/dbraw/zinc/60/68/02/958606802.db2.gz	JTLJHDCMWIFYPE-UHFFFAOYSA-N	-1	2	297.296	0.018	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)n1	ZINC001571066358	960829558	/nfs/dbraw/zinc/82/95/58/960829558.db2.gz	IOGWZRUHOSBALF-VXNVDRBHSA-N	-1	2	298.368	0.774	20	0		CCADLM
O=C([O-])C=Cc1cc(C(=O)NCc2n[nH]c(=O)[nH]2)co1	ZINC001606065280	973208323	/nfs/dbraw/zinc/20/83/23/973208323.db2.gz	XFEAUDSBPLCIAG-OWOJBTEDSA-N	-1	2	278.224	0.131	20	0		CCADLM
O=C([O-])[C@@H](O)CNC(=O)c1cccc(Cl)c1O	ZINC001574812193	983280200	/nfs/dbraw/zinc/28/02/00/983280200.db2.gz	DYNIMWYHZVIOBL-ZETCQYMHSA-N	-1	2	259.645	0.221	20	0		CCADLM
Cc1n[nH]cc1S(=O)(=O)Nc1cc(O)ccc1C(=O)[O-]	ZINC001599969934	985987664	/nfs/dbraw/zinc/98/76/64/985987664.db2.gz	ZFZDMTXPQJIHMO-UHFFFAOYSA-N	-1	2	297.292	0.923	20	0		CCADLM
C[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1nn(C)cc1O	ZINC001593159613	993986186	/nfs/dbraw/zinc/98/61/86/993986186.db2.gz	KDTKCQSCWWTVTA-ZCFIWIBFSA-N	-1	2	279.252	0.908	20	0		CCADLM
O=C([O-])CCCNC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000262744965	137052455	/nfs/dbraw/zinc/05/24/55/137052455.db2.gz	KFTRYUCIKXEKPZ-UHFFFAOYSA-N	-1	2	292.251	0.031	20	0		CCADLM
O=C([O-])C(NC(=O)C1CC2CCC1O2)C1CCCOC1	ZINC000262920787	137055632	/nfs/dbraw/zinc/05/56/32/137055632.db2.gz	ZHGIIDQCCPOWOJ-KQSJRHEJSA-N	-1	2	283.324	0.550	20	0		CCADLM
CCC(O)(CC)CCNC(=O)N=c1ccc(OC)n[n-]1	ZINC000346638653	137296661	/nfs/dbraw/zinc/29/66/61/137296661.db2.gz	RPCXYMQGABBDPH-UHFFFAOYSA-N	-1	2	282.344	0.970	20	0		CCADLM
COc1ccc(=NC(=O)N(C)[C@@H](C)C[S@](C)=O)[n-]n1	ZINC000346680962	137298755	/nfs/dbraw/zinc/29/87/55/137298755.db2.gz	JIAVDHPEYATQCV-RLBGWGEZSA-N	-1	2	286.357	0.138	20	0		CCADLM
Cc1ccc([C@@H](CNC(=O)c2nc(=O)[nH][nH]2)[NH+](C)C)cc1	ZINC000127653420	350174617	/nfs/dbraw/zinc/17/46/17/350174617.db2.gz	FMOFBYZCNADFQF-LLVKDONJSA-N	-1	2	289.339	0.439	20	0		CCADLM
Cn1c[nH+]cc1CCC(=O)Nc1n[nH]c(SCCO)n1	ZINC000339167305	355498354	/nfs/dbraw/zinc/49/83/54/355498354.db2.gz	CTXQNPPCWGJOKS-UHFFFAOYSA-N	-1	2	296.356	0.194	20	0		CCADLM
Cn1c[nH+]cc1CCC(=O)Nc1nc(SCCO)n[nH]1	ZINC000339167305	355498357	/nfs/dbraw/zinc/49/83/57/355498357.db2.gz	CTXQNPPCWGJOKS-UHFFFAOYSA-N	-1	2	296.356	0.194	20	0		CCADLM
CCOC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1C	ZINC000595554973	360578477	/nfs/dbraw/zinc/57/84/77/360578477.db2.gz	UVMZZNPGEFISEG-HBNTYKKESA-N	-1	2	296.371	0.661	20	0		CCADLM
CC1(C)OCc2[nH]n(-c3ccc(C(=O)[O-])nc3)c(=O)c21	ZINC000634609239	372096374	/nfs/dbraw/zinc/09/63/74/372096374.db2.gz	AAWOTJWIWYCWKV-JTQLQIEISA-N	-1	2	275.264	0.907	20	0		CCADLM
C[C@@H](c1nncn1C)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC000329627284	389178939	/nfs/dbraw/zinc/17/89/39/389178939.db2.gz	GWOHQNFQDWDQII-DTWKUNHWSA-N	-1	2	277.332	0.579	20	0		CCADLM
CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(O)cc(F)c2)C1	ZINC000375218409	389650080	/nfs/dbraw/zinc/65/00/80/389650080.db2.gz	QNGPFCSGSCFOLI-GFCCVEGCSA-N	-1	2	288.344	0.655	20	0		CCADLM
N=c1[n-]nc(CNC(=O)c2cc(F)c(O)c(F)c2)o1	ZINC000436923584	389987071	/nfs/dbraw/zinc/98/70/71/389987071.db2.gz	CTHOGBWYOKYOGS-UHFFFAOYSA-N	-1	2	270.195	0.396	20	0		CCADLM
Cc1cc(=NC(O)=C2CCCS2(=O)=O)[nH]n1C(C)C	ZINC000572375607	390780559	/nfs/dbraw/zinc/78/05/59/390780559.db2.gz	QTXJEVYOFVPHNL-JTQLQIEISA-N	-1	2	285.369	0.710	20	0		CCADLM
C[C@@H]1CCCN(C(=O)CCc2ncn[nH]2)[C@@H]1C(=O)[O-]	ZINC000424270944	533649919	/nfs/dbraw/zinc/64/99/19/533649919.db2.gz	YDNFOQICCZDGJW-KCJUWKMLSA-N	-1	2	266.301	0.449	20	0		CCADLM
Cc1onc(N)c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1	ZINC000549720895	286096600	/nfs/dbraw/zinc/09/66/00/286096600.db2.gz	QHORKRJBECVIFP-UHFFFAOYSA-N	-1	2	297.292	0.895	20	0		CCADLM
Cc1cc(=NC(=O)NC[C@@H](C(=O)[O-])C(C)C)[nH]nc1C	ZINC000653538850	412312503	/nfs/dbraw/zinc/31/25/03/412312503.db2.gz	KLZPDNLWHVYEPC-SNVBAGLBSA-N	-1	2	280.328	0.994	20	0		CCADLM
CCN1CC[C@@H]([N@@H+]2CCC[C@H](C3N=NC(=O)O3)C2)C1=O	ZINC000660461227	414337421	/nfs/dbraw/zinc/33/74/21/414337421.db2.gz	AZRDYYUIPLQBLN-VHSXEESVSA-N	-1	2	280.328	0.575	20	0		CCADLM
C[C@H](C(=O)[O-])N(C)c1cc(N(C)[C@H](C)C(=O)[O-])[nH+]cn1	ZINC000662877481	414864251	/nfs/dbraw/zinc/86/42/51/414864251.db2.gz	DAURIYLNVJUUEH-HTQZYQBOSA-N	-1	2	282.300	0.295	20	0		CCADLM
Cc1nc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cs1	ZINC000192662025	262207806	/nfs/dbraw/zinc/20/78/06/262207806.db2.gz	NNTJCHBGBMGCRO-GFCCVEGCSA-N	-1	2	280.353	0.626	20	0		CCADLM
CC[C@@H](NS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-]	ZINC000381249418	327183717	/nfs/dbraw/zinc/18/37/17/327183717.db2.gz	OYPYOIHVUOLHNX-RFZPGFLSSA-N	-1	2	263.237	0.720	20	0		CCADLM
O=c1[nH]nc(CN=c2[n-]nc(-c3ccccn3)s2)[nH]1	ZINC000354564978	526378091	/nfs/dbraw/zinc/37/80/91/526378091.db2.gz	CFHPIPAFBKBISN-UHFFFAOYSA-N	-1	2	275.297	0.458	20	0		CCADLM
CN(C(=O)Cc1cncc(O)c1)[C@H]1CC[N@H+]2CCO[C@H]1C2	ZINC000582796755	581541106	/nfs/dbraw/zinc/54/11/06/581541106.db2.gz	XZNPLBQESGATES-KBPBESRZSA-N	-1	2	291.351	0.261	20	0		CCADLM
C[C@@H]1C[N@@H+](CCNc2ncccc2-c2nn[nH]n2)CCO1	ZINC000736286185	581729864	/nfs/dbraw/zinc/72/98/64/581729864.db2.gz	MIVAZRQXTUVQHK-SNVBAGLBSA-N	-1	2	289.343	0.394	20	0		CCADLM
O=C(Nc1cc(C(F)(F)F)n[nH]1)c1cc(=O)[nH][n-]1	ZINC000746289995	581908365	/nfs/dbraw/zinc/90/83/65/581908365.db2.gz	GBCLMQXWRFWQTK-UHFFFAOYSA-N	-1	2	261.163	0.243	20	0		CCADLM
CN(CC(=O)[O-])C(=O)CC[N@H+]1CCOC[C@H]1c1ccco1	ZINC000737401494	581952755	/nfs/dbraw/zinc/95/27/55/581952755.db2.gz	PHARNBUICJMONV-NSHDSACASA-N	-1	2	296.323	0.586	20	0		CCADLM
Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)nc1	ZINC000020213610	600828833	/nfs/dbraw/zinc/82/88/33/600828833.db2.gz	WWTPZLFXGDVIRC-UHFFFAOYSA-N	-1	2	295.320	0.649	20	0		CCADLM
Cc1cc(NC(=O)CC2SC(=N)NC2=O)c(C(=O)[O-])[nH]1	ZINC000832893503	600879999	/nfs/dbraw/zinc/87/99/99/600879999.db2.gz	ONUWPIWPSRBJMJ-ZCFIWIBFSA-N	-1	2	296.308	0.516	20	0		CCADLM
O=C([O-])c1cccc(C(=O)NCc2n[nH]c(=O)[nH]2)c1	ZINC000392431425	601384556	/nfs/dbraw/zinc/38/45/56/601384556.db2.gz	WNDVGDMYYZODTF-UHFFFAOYSA-N	-1	2	262.225	0.139	20	0		CCADLM
O=C([O-])[C@]1(F)CC[N@H+](Cc2cc(=O)n3[n-]ccc3n2)C1	ZINC000833174811	601557618	/nfs/dbraw/zinc/55/76/18/601557618.db2.gz	JWESBICNNDZQDL-LBPRGKRZSA-N	-1	2	280.259	0.021	20	0		CCADLM
O=C([O-])[C@]1(F)CC[N@@H+](Cc2cc(=O)n3[n-]ccc3n2)C1	ZINC000833174811	601557620	/nfs/dbraw/zinc/55/76/20/601557620.db2.gz	JWESBICNNDZQDL-LBPRGKRZSA-N	-1	2	280.259	0.021	20	0		CCADLM
O=C([O-])NCCNC(=O)c1cc(F)c(O)c(F)c1	ZINC000832658599	603752188	/nfs/dbraw/zinc/75/21/88/603752188.db2.gz	SPJRLPDTJSFUSE-UHFFFAOYSA-N	-1	2	260.196	0.668	20	0		CCADLM
O=C([O-])N(CC(=O)OCCc1cnn[nH]1)C[C@@H]1CCCO1	ZINC000831481399	604190614	/nfs/dbraw/zinc/19/06/14/604190614.db2.gz	YOZXDUHYHLALCB-JTQLQIEISA-N	-1	2	298.299	0.049	20	0		CCADLM
Cc1cc(C(=O)NCc2n[nH]c(=O)[nH]2)ccc1NC(=O)[O-]	ZINC000829956473	605323990	/nfs/dbraw/zinc/32/39/90/605323990.db2.gz	IGZKOYMPGHXWCT-UHFFFAOYSA-N	-1	2	291.267	0.839	20	0		CCADLM
C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCc1n[nH]c(=O)[nH]1	ZINC000833832443	606062787	/nfs/dbraw/zinc/06/27/87/606062787.db2.gz	WDVREWHZLBPQSB-JMCQJSRRSA-N	-1	2	297.315	0.343	20	0		CCADLM
CC[C@@](C)(CNC(=O)[O-])C(=O)OCc1n[nH]c(=O)[nH]1	ZINC000833840269	615589092	/nfs/dbraw/zinc/58/90/92/615589092.db2.gz	FRSAQRFGSBMKEV-JTQLQIEISA-N	-1	2	272.261	0.237	20	0		CCADLM
CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)n1	ZINC000879364421	615659142	/nfs/dbraw/zinc/65/91/42/615659142.db2.gz	XNGWYCMJTAOVEM-CMPLNLGQSA-N	-1	2	281.356	0.310	20	0		CCADLM
CN1CCO[C@@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)o2)C1	ZINC000826044171	616254496	/nfs/dbraw/zinc/25/44/96/616254496.db2.gz	ASTBNESKYYIBRE-LLVKDONJSA-N	-1	2	292.343	0.222	20	0		CCADLM
Cc1nc2ccccn2c1CNC(=O)NCC(=O)[O-]	ZINC000900311451	633988068	/nfs/dbraw/zinc/98/80/68/633988068.db2.gz	SOGTWBFYTGOUOD-UHFFFAOYSA-N	-1	2	262.269	0.527	20	0		CCADLM
COC(=O)c1c[n-]c(Sc2c(C)[nH][nH]c2=O)n1	ZINC000917496209	637972499	/nfs/dbraw/zinc/97/24/99/637972499.db2.gz	MCZRTSMKXOPDAW-ZCFIWIBFSA-N	-1	2	254.271	0.163	20	0		CCADLM
O=C(c1cccc2c1NC(=O)C2=O)N1CC[N@@H+]2CC[C@@H]2C1	ZINC001152456788	800523830	/nfs/dbraw/zinc/52/38/30/800523830.db2.gz	KVHMNNROBLAQPY-SECBINFHSA-N	-1	2	285.303	0.352	20	0		CCADLM
O=[P@@]([O-])(O)c1ccc(NCC2OCCO2)cc1	ZINC001169065778	836120951	/nfs/dbraw/zinc/12/09/51/836120951.db2.gz	KJZCJZOYNCCKPL-UHFFFAOYSA-N	-1	2	259.198	0.274	20	0		CCADLM
O=[P@]([O-])(O)c1ccc(NCC2OCCO2)cc1	ZINC001169065778	836120956	/nfs/dbraw/zinc/12/09/56/836120956.db2.gz	KJZCJZOYNCCKPL-UHFFFAOYSA-N	-1	2	259.198	0.274	20	0		CCADLM
C/C=C(/C)C(=O)N(C)CCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1	ZINC001273495715	844322579	/nfs/dbraw/zinc/32/25/79/844322579.db2.gz	IABOCBXHRZHCTD-WDZFZDKYSA-N	-1	2	295.387	0.355	20	0		CCADLM
O=C([O-])COc1ccc(S(=O)(=O)Nc2nnco2)cc1	ZINC001192677524	845891814	/nfs/dbraw/zinc/89/18/14/845891814.db2.gz	HJDLWRMHQCTNLM-UHFFFAOYSA-N	-1	2	299.264	0.334	20	0		CCADLM
CCC[N@H+](C)CC(=O)N[C@H](C)c1nn(C)cc1O	ZINC001304545510	908172718	/nfs/dbraw/zinc/17/27/18/908172718.db2.gz	VGMDOOROTTZRRS-SECBINFHSA-N	-1	2	254.334	0.645	20	0		CCADLM
N=C1NC(=O)[C@H](CC(=O)N2CCCC[C@@H]2CC(=O)[O-])S1	ZINC001594654619	956496571	/nfs/dbraw/zinc/49/65/71/956496571.db2.gz	UCFAUNVMFHUUNB-SFYZADRCSA-N	-1	2	299.352	0.399	20	0		CCADLM
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC001574756672	957730937	/nfs/dbraw/zinc/73/09/37/957730937.db2.gz	CPBNBPQWERIIGC-XHNCKOQMSA-N	-1	2	294.311	0.327	20	0		CCADLM
CS(=O)(=O)Nc1nc(CCCC(=O)[O-])cs1	ZINC000087736199	958030218	/nfs/dbraw/zinc/03/02/18/958030218.db2.gz	XGGBMSNJYZUBLA-UHFFFAOYSA-N	-1	2	264.328	0.344	20	0		CCADLM
CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1	ZINC001588803023	961436613	/nfs/dbraw/zinc/43/66/13/961436613.db2.gz	JAXKYTSUIFERTD-SECBINFHSA-N	-1	2	296.327	0.573	20	0		CCADLM
Cc1c(S(=O)(=O)Nc2ccc(C(=O)[O-])nc2)cnn1C	ZINC000312988773	963609342	/nfs/dbraw/zinc/60/93/42/963609342.db2.gz	MBEPGIWXFTWEQM-UHFFFAOYSA-N	-1	2	296.308	0.623	20	0		CCADLM
O=C([O-])C1CN(C(=O)c2c(O)cc(F)cc2F)C1	ZINC001594948532	970278563	/nfs/dbraw/zinc/27/85/63/970278563.db2.gz	XSJGCZOHMLMIAB-UHFFFAOYSA-N	-1	2	257.192	0.827	20	0		CCADLM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C[C@H]2SC(=N)NC2=O)C1	ZINC001603359818	972814794	/nfs/dbraw/zinc/81/47/94/972814794.db2.gz	BEQJZXDNRUSWNQ-BWZBUEFSSA-N	-1	2	299.352	0.112	20	0		CCADLM
COC(=O)CCCONC(=O)[C@H](C(=O)[O-])C(C)C	ZINC001604304234	972954766	/nfs/dbraw/zinc/95/47/66/972954766.db2.gz	NRNSDEJMXFBVSQ-SECBINFHSA-N	-1	2	261.274	0.344	20	0		CCADLM
CCOC(=O)C(C)(C)ONC(=O)[C@@H](C(=O)[O-])C(C)C	ZINC001603778749	974231871	/nfs/dbraw/zinc/23/18/71/974231871.db2.gz	XWMMWYTYQDAFFP-QMMMGPOBSA-N	-1	2	275.301	0.733	20	0		CCADLM
CC(C)(C)[C@H](NC(=O)C[C@@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC001589712940	987851222	/nfs/dbraw/zinc/85/12/22/987851222.db2.gz	UGPVDDFAAMWZSX-CAHLUQPWSA-N	-1	2	287.341	0.158	20	0		CCADLM
CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)CCc1ncn[nH]1	ZINC001591423880	992512893	/nfs/dbraw/zinc/51/28/93/992512893.db2.gz	RKKIVDUUJHXEDM-VIFPVBQESA-N	-1	2	268.317	0.695	20	0		CCADLM
C[C@@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)[C@@H]1CO	ZINC000346276831	137276361	/nfs/dbraw/zinc/27/63/61/137276361.db2.gz	MYPDZPQQAWKAMW-ZYHUDNBSSA-N	-1	2	276.340	0.615	20	0		CCADLM
COc1cccc(NC(=O)NCCc2n[n-]c(=N)o2)c1	ZINC000346637970	137296224	/nfs/dbraw/zinc/29/62/24/137296224.db2.gz	FXKWJBJOYZFWGG-UHFFFAOYSA-N	-1	2	277.284	0.855	20	0		CCADLM
Cc1cc(C[N@H+](C)CCCOC(=O)NC(N)=O)no1	ZINC000120662149	349998623	/nfs/dbraw/zinc/99/86/23/349998623.db2.gz	OFFHOTAKKOZPJH-UHFFFAOYSA-N	-1	2	270.289	0.610	20	0		CCADLM
O=C([O-])COc1ccc(S(=O)(=O)Nc2cnoc2)cc1	ZINC000060393564	348643124	/nfs/dbraw/zinc/64/31/24/348643124.db2.gz	JUIWQZXXMYBOHQ-UHFFFAOYSA-N	-1	2	298.276	0.939	20	0		CCADLM
O=C([O-])c1cccc(NS(=O)(=O)c2cn[nH]c2)c1O	ZINC000124662680	350104572	/nfs/dbraw/zinc/10/45/72/350104572.db2.gz	YRXHTQAGPYKGFM-UHFFFAOYSA-N	-1	2	283.265	0.614	20	0		CCADLM
O=C(NCCn1cc[nH+]c1)c1ccc2c(c1)C(=O)NC2=O	ZINC000104849076	186028486	/nfs/dbraw/zinc/02/84/86/186028486.db2.gz	LRRFVJBDMVHRKX-UHFFFAOYSA-N	-1	2	284.275	0.197	20	0		CCADLM
O=C([O-])CNC(=O)C1=NN(c2ccccc2)CC1=O	ZINC000237934974	352289716	/nfs/dbraw/zinc/28/97/16/352289716.db2.gz	CFVZRLCVXDEDKZ-UHFFFAOYSA-N	-1	2	261.237	0.392	20	0		CCADLM
COCCN1CC[N@H+](Cc2nc(C)ccc2O)CC1=O	ZINC000272374309	353057383	/nfs/dbraw/zinc/05/73/83/353057383.db2.gz	QDVFLTGZEFBFBZ-UHFFFAOYSA-N	-1	2	279.340	0.386	20	0		CCADLM
CSc1nc(NC(=O)CCc2[nH]cc[nH+]2)n[nH]1	ZINC000287411097	353644302	/nfs/dbraw/zinc/64/43/02/353644302.db2.gz	QYWSLONKPLPLTO-UHFFFAOYSA-N	-1	2	252.303	0.821	20	0		CCADLM
O=C([O-])CCCNC(=O)N=c1nc2n([nH]1)CCCC2	ZINC000568632171	358691620	/nfs/dbraw/zinc/69/16/20/358691620.db2.gz	LFTZEJYKLYOMGH-UHFFFAOYSA-N	-1	2	267.289	0.023	20	0		CCADLM
Nc1nsc(N2CC[NH+](Cc3ncccc3O)CC2)n1	ZINC000573166732	358944178	/nfs/dbraw/zinc/94/41/78/358944178.db2.gz	GPUPWVWKDWEMAV-UHFFFAOYSA-N	-1	2	292.368	0.373	20	0		CCADLM
O=C(C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1)NCC1CCC1	ZINC000580934738	359109773	/nfs/dbraw/zinc/10/97/73/359109773.db2.gz	GTBGXMBBBWKBPD-NSHDSACASA-N	-1	2	294.355	0.871	20	0		CCADLM
Cc1nnc([C@@H]2CCC[N@@H+](Cc3n[nH]c(=O)[n-]3)C2)[nH]1	ZINC000329336779	202289534	/nfs/dbraw/zinc/28/95/34/202289534.db2.gz	YDURFSQDEXRXEX-MRVPVSSYSA-N	-1	2	263.305	0.316	20	0		CCADLM
COCCc1cc(=O)n(-c2ccc(C(=O)[O-])cn2)[nH]1	ZINC000634609496	372096435	/nfs/dbraw/zinc/09/64/35/372096435.db2.gz	FDJVHAGXMREBQM-UHFFFAOYSA-N	-1	2	263.253	0.909	20	0		CCADLM
O=C([O-])C(=O)N1CC[NH+](Cc2ccc(C(=O)[O-])cc2)CC1	ZINC000567988441	291544388	/nfs/dbraw/zinc/54/43/88/291544388.db2.gz	FBUMGEOZUNZRCW-UHFFFAOYSA-N	-1	2	292.291	0.114	20	0		CCADLM
C[N@@H+](Cc1ncccc1O)C[C@H]1CCS(=O)(=O)C1	ZINC000554854142	390443530	/nfs/dbraw/zinc/44/35/30/390443530.db2.gz	LDADVHDGZQQWLP-SNVBAGLBSA-N	-1	2	270.354	0.654	20	0		CCADLM
O=C(N=c1nc(-c2cccnc2)[nH]s1)c1n[nH]c(=O)[n-]1	ZINC000555735179	390464244	/nfs/dbraw/zinc/46/42/44/390464244.db2.gz	MEEUCZYCRRNPGO-UHFFFAOYSA-N	-1	2	289.280	0.098	20	0		CCADLM
C[N@@H+]1CC[C@H]2CCN(C(=O)N=c3cccn[nH]3)[C@H]2C1	ZINC000373113765	144393124	/nfs/dbraw/zinc/39/31/24/144393124.db2.gz	WIAXKDYFEQUXEW-QWRGUYRKSA-N	-1	2	261.329	0.456	20	0		CCADLM
O=C([O-])c1cc(N2CCO[C@@H](C(=O)[O-])C2)cc[nH+]1	ZINC000096959941	544551885	/nfs/dbraw/zinc/55/18/85/544551885.db2.gz	JQUNMYSVJLHTPU-SECBINFHSA-N	-1	2	252.226	0.070	20	0		CCADLM
C[C@H](CNS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-]	ZINC000381373145	327523799	/nfs/dbraw/zinc/52/37/99/327523799.db2.gz	IDHGOQKVOGRIAC-RFZPGFLSSA-N	-1	2	263.237	0.577	20	0		CCADLM
CCC[C@H](NC(=O)c1cccc2[nH]nnc21)C(N)=O	ZINC000553630896	334393805	/nfs/dbraw/zinc/39/38/05/334393805.db2.gz	WZEVPGVQYGTZGH-VIFPVBQESA-N	-1	2	261.285	0.342	20	0		CCADLM
C[C@H](NC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1)C(=O)[O-]	ZINC000737683768	581107790	/nfs/dbraw/zinc/10/77/90/581107790.db2.gz	KTHONEIQDLANEI-LURJTMIESA-N	-1	2	277.236	0.233	20	0		CCADLM
O=C(NC[C@H]1CC[C@H](O)C1)c1cccc2[nH]nnc21	ZINC000191314111	581987320	/nfs/dbraw/zinc/98/73/20/581987320.db2.gz	UHFRELNBKFOFQR-IUCAKERBSA-N	-1	2	260.297	0.849	20	0		CCADLM
O=C([O-])c1ccc(C(=O)NCCCc2n[nH]c(=O)[nH]2)s1	ZINC000833311415	600835281	/nfs/dbraw/zinc/83/52/81/600835281.db2.gz	LYEIAQDUUKMUON-UHFFFAOYSA-N	-1	2	296.308	0.633	20	0		CCADLM
N=C1NC(=O)[C@H](CC(=O)N2CCC(CC(=O)[O-])CC2)S1	ZINC000833088962	600866565	/nfs/dbraw/zinc/86/65/65/600866565.db2.gz	LIMLBOLLXADHEA-QMMMGPOBSA-N	-1	2	299.352	0.256	20	0		CCADLM
Cc1ccc(S(=O)(=O)Nc2ncn(CC(=O)[O-])n2)cc1	ZINC000832956472	600987055	/nfs/dbraw/zinc/98/70/55/600987055.db2.gz	DYCOVQFUEYVHAJ-UHFFFAOYSA-N	-1	2	296.308	0.472	20	0		CCADLM
O=C([O-])[C@@H]1COCCN1Cc1nc(=O)c2sccc2[nH]1	ZINC000088378931	601560510	/nfs/dbraw/zinc/56/05/10/601560510.db2.gz	XHKFVRGQYBOSBG-QMMMGPOBSA-N	-1	2	295.320	0.270	20	0		CCADLM
O=C([O-])NCc1ccc(C(=O)NN2CCCC2=O)o1	ZINC000834249254	605791183	/nfs/dbraw/zinc/79/11/83/605791183.db2.gz	QRMZUHZPDQWGAW-UHFFFAOYSA-N	-1	2	267.241	0.314	20	0		CCADLM
O=C([O-])Nc1ccccc1CC(=O)NCc1n[nH]c(=O)[nH]1	ZINC000834272015	606066384	/nfs/dbraw/zinc/06/63/84/606066384.db2.gz	JODOYHKOWGDBIJ-UHFFFAOYSA-N	-1	2	291.267	0.459	20	0		CCADLM
CC[C@](C)(CNC(=O)[O-])C(=O)OCc1n[nH]c(=O)[nH]1	ZINC000833840270	615947194	/nfs/dbraw/zinc/94/71/94/615947194.db2.gz	FRSAQRFGSBMKEV-SNVBAGLBSA-N	-1	2	272.261	0.237	20	0		CCADLM
Cn1cnc(CNC(=O)N[C@H](CCF)C(=O)[O-])c1	ZINC000900308728	633987789	/nfs/dbraw/zinc/98/77/89/633987789.db2.gz	NFPVAJSHRSVVPG-MRVPVSSYSA-N	-1	2	258.253	0.032	20	0		CCADLM
Cc1nc2ccccn2c1CNC(=O)N[C@@H](CF)C(=O)[O-]	ZINC000900311097	633987831	/nfs/dbraw/zinc/98/78/31/633987831.db2.gz	QYQPLNXWTWDINU-VIFPVBQESA-N	-1	2	294.286	0.865	20	0		CCADLM
Cc1nc2ccccn2c1CNC(=O)N(C)CC(=O)[O-]	ZINC000900310302	633988055	/nfs/dbraw/zinc/98/80/55/633988055.db2.gz	KPCJCSKRAUXNQC-UHFFFAOYSA-N	-1	2	276.296	0.869	20	0		CCADLM
C[C@H](C[NH+]1CCOCC1)Nc1ccc(-c2nn[nH]n2)nc1	ZINC000820262806	641489268	/nfs/dbraw/zinc/48/92/68/641489268.db2.gz	ZMFRBOATVUXPFD-SNVBAGLBSA-N	-1	2	289.343	0.394	20	0		CCADLM
COC(=O)c1nc2ccc(N[C@H]3C[C@@H](CO)C3)nc2[nH]1	ZINC001168247817	814924229	/nfs/dbraw/zinc/92/42/29/814924229.db2.gz	UNSIGRWUSKCQSR-OCAPTIKFSA-N	-1	2	276.296	0.927	20	0		CCADLM
Cc1nc2ccnn2cc1C(=O)N1CC[C@H](c2nnn[n-]2)C1	ZINC001153002642	800579974	/nfs/dbraw/zinc/57/99/74/800579974.db2.gz	VZPZANDILROCRQ-VIFPVBQESA-N	-1	2	298.310	0.181	20	0		CCADLM
Cc1nc2ccnn2cc1C(=O)N1CC[C@H](c2nn[n-]n2)C1	ZINC001153002642	800579977	/nfs/dbraw/zinc/57/99/77/800579977.db2.gz	VZPZANDILROCRQ-VIFPVBQESA-N	-1	2	298.310	0.181	20	0		CCADLM
O=[P@@]([O-])(O)c1ccc(N[C@H]2C=CS(=O)(=O)C2)cc1	ZINC001164023631	802655772	/nfs/dbraw/zinc/65/57/72/802655772.db2.gz	SVYDYYAWKVMUAQ-VIFPVBQESA-N	-1	2	289.249	0.212	20	0		CCADLM
O=[P@]([O-])(O)c1ccc(N[C@H]2C=CS(=O)(=O)C2)cc1	ZINC001164023631	802655776	/nfs/dbraw/zinc/65/57/76/802655776.db2.gz	SVYDYYAWKVMUAQ-VIFPVBQESA-N	-1	2	289.249	0.212	20	0		CCADLM
COC(=O)c1ncc(-c2ccc([P@@](=O)([O-])O)cc2)cn1	ZINC001243012338	807028074	/nfs/dbraw/zinc/02/80/74/807028074.db2.gz	VTRAYDYVVFMMPI-UHFFFAOYSA-N	-1	2	294.203	0.733	20	0		CCADLM
COC(=O)c1ncc(-c2ccc([P@](=O)([O-])O)cc2)cn1	ZINC001243012338	807028083	/nfs/dbraw/zinc/02/80/83/807028083.db2.gz	VTRAYDYVVFMMPI-UHFFFAOYSA-N	-1	2	294.203	0.733	20	0		CCADLM
O=C([O-])c1cccc(S(=O)(=O)Nc2ccncn2)c1	ZINC001260183403	808855857	/nfs/dbraw/zinc/85/58/57/808855857.db2.gz	PGOVNZNLXNFSNT-UHFFFAOYSA-N	-1	2	279.277	0.976	20	0		CCADLM
O=C([O-])C1(C(=O)N[C@H]2SC(=O)NC2=O)CCCCC1	ZINC001180439447	843166755	/nfs/dbraw/zinc/16/67/55/843166755.db2.gz	XIZIZBAAJOEKHJ-ZETCQYMHSA-N	-1	2	286.309	0.447	20	0		CCADLM
O=C(Cc1ccc([S-])cc1)NCc1n[nH]c(=O)[nH]1	ZINC001183187971	843974801	/nfs/dbraw/zinc/97/48/01/843974801.db2.gz	ROHFUXWWLBQWRS-UHFFFAOYSA-N	-1	2	264.310	0.658	20	0		CCADLM
COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)c1c(C)cccc1O	ZINC001188649398	844932307	/nfs/dbraw/zinc/93/23/07/844932307.db2.gz	YUSFDLBQGNIVGW-LLVKDONJSA-N	-1	2	292.335	0.630	20	0		CCADLM
COC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1ncccc1O	ZINC001038185002	849811812	/nfs/dbraw/zinc/81/18/12/849811812.db2.gz	UPHQMCXTRZNZHD-WDEREUQCSA-N	-1	2	279.340	0.626	20	0		CCADLM
O=C([O-])[C@H](C(=O)NOCc1cccnc1)C1CC1	ZINC001594836274	954027194	/nfs/dbraw/zinc/02/71/94/954027194.db2.gz	SKIYKXZWPJLQNY-JTQLQIEISA-N	-1	2	250.254	0.740	20	0		CCADLM
CC(C)[C@@H](C(=O)[O-])C(=O)N[C@H](C)C1=NN(C)CC1=O	ZINC001589088213	955914610	/nfs/dbraw/zinc/91/46/10/955914610.db2.gz	KNXBCSHHJYCLFC-VXNVDRBHSA-N	-1	2	269.301	0.660	20	0		CCADLM
CC(C)[C@@H](C(=O)[O-])C(=O)N[C@H](C)c1nn(C)cc1O	ZINC001589088213	955914619	/nfs/dbraw/zinc/91/46/19/955914619.db2.gz	KNXBCSHHJYCLFC-VXNVDRBHSA-N	-1	2	269.301	0.660	20	0		CCADLM
C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1nn(C)cc1O	ZINC001573625354	959536834	/nfs/dbraw/zinc/53/68/34/959536834.db2.gz	QMGGDMKBTVLASD-ZETCQYMHSA-N	-1	2	290.279	0.710	20	0		CCADLM
O=C([O-])C1(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)CCC1	ZINC001605912089	972780710	/nfs/dbraw/zinc/78/07/10/972780710.db2.gz	HYBHIEVANUGFNU-MRVPVSSYSA-N	-1	2	294.311	0.471	20	0		CCADLM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)C(F)C(F)(F)F	ZINC001598693145	995094960	/nfs/dbraw/zinc/09/49/60/995094960.db2.gz	GVMIJDRQVXZQJJ-NQXXGFSBSA-N	-1	2	275.154	0.019	20	0		CCADLM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](F)C(F)(F)F	ZINC001598693145	995094969	/nfs/dbraw/zinc/09/49/69/995094969.db2.gz	GVMIJDRQVXZQJJ-NQXXGFSBSA-N	-1	2	275.154	0.019	20	0		CCADLM
C[C@@]1(C(=O)[O-])CCCN(C(=O)C[C@H]2SC(=N)NC2=O)C1	ZINC001593766603	996447152	/nfs/dbraw/zinc/44/71/52/996447152.db2.gz	RGAWFAWWVXYOIE-JMCQJSRRSA-N	-1	2	299.352	0.256	20	0		CCADLM
COc1ccc(=NC(=O)NCCCOC(F)F)[n-]n1	ZINC000346642784	137296613	/nfs/dbraw/zinc/29/66/13/137296613.db2.gz	XRFIDZPWLJGXKZ-UHFFFAOYSA-N	-1	2	276.243	0.658	20	0		CCADLM
COc1ccc(=NC(=O)NCCOCC(F)F)[n-]n1	ZINC000346677406	137298807	/nfs/dbraw/zinc/29/88/07/137298807.db2.gz	XGQPKUHIOMSNJK-UHFFFAOYSA-N	-1	2	276.243	0.310	20	0		CCADLM
COC[C@H](NC(=O)N=c1ccc(OC)n[n-]1)C1CC1	ZINC000346677861	137299016	/nfs/dbraw/zinc/29/90/16/137299016.db2.gz	YALVKMKUDRQZBK-VIFPVBQESA-N	-1	2	266.301	0.454	20	0		CCADLM
C[C@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)[C@H]1CO	ZINC000346276825	137276242	/nfs/dbraw/zinc/27/62/42/137276242.db2.gz	MYPDZPQQAWKAMW-JQWIXIFHSA-N	-1	2	276.340	0.615	20	0		CCADLM
CCc1nn(C)cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000091021396	180088548	/nfs/dbraw/zinc/08/85/48/180088548.db2.gz	FCSNXJXLBGFTDD-UHFFFAOYSA-N	-1	2	298.324	0.810	20	0		CCADLM
CCOCCNC(=O)c1c[nH]c2c(cnn2C)c1=O	ZINC000179435505	351267359	/nfs/dbraw/zinc/26/73/59/351267359.db2.gz	KFRJNVVVQBBUHR-UHFFFAOYSA-N	-1	2	264.285	0.440	20	0		CCADLM
Cc1noc(C)c1S(=O)(=O)N[C@H]1CCC[N@@H+](C)C1	ZINC000213360628	351931767	/nfs/dbraw/zinc/93/17/67/351931767.db2.gz	XGTQJISZXFGLOA-JTQLQIEISA-N	-1	2	273.358	0.664	20	0		CCADLM
O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cn[nH]n1	ZINC000531681231	358477626	/nfs/dbraw/zinc/47/76/26/358477626.db2.gz	ZULUCUYMCQNTDA-ZYHUDNBSSA-N	-1	2	279.344	0.178	20	0		CCADLM
O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cnn[nH]1	ZINC000531681231	358477627	/nfs/dbraw/zinc/47/76/27/358477627.db2.gz	ZULUCUYMCQNTDA-ZYHUDNBSSA-N	-1	2	279.344	0.178	20	0		CCADLM
CC(C)[C@H](NS(=O)(=O)CC(F)(F)F)C(=O)[O-]	ZINC000390179292	357741332	/nfs/dbraw/zinc/74/13/32/357741332.db2.gz	JGYNDXBJKJIRRJ-YFKPBYRVSA-N	-1	2	263.237	0.577	20	0		CCADLM
O=C1NC(=O)N2CC[N@@H+](Cc3cnc4ccccc4c3)C[C@H]12	ZINC000530807732	358424842	/nfs/dbraw/zinc/42/48/42/358424842.db2.gz	NLAWVWIBUNMEQA-CQSZACIVSA-N	-1	2	296.330	0.971	20	0		CCADLM
CC(=O)NCC[N@H+](C)[C@H](C)C(=O)Nc1cc(C)no1	ZINC000580950598	359113199	/nfs/dbraw/zinc/11/31/99/359113199.db2.gz	WDVUVBBUKLIJAG-SECBINFHSA-N	-1	2	268.317	0.378	20	0		CCADLM
CO[C@H]1CCC[N@@H+](Cc2nc3c(cnn3C)c(=O)[nH]2)C1	ZINC000590296895	359436025	/nfs/dbraw/zinc/43/60/25/359436025.db2.gz	CAKSWEVKPXRTRD-VIFPVBQESA-N	-1	2	277.328	0.680	20	0		CCADLM
CSC[C@H](CCO)NC(=O)c1cccc2[nH]nnc21	ZINC000188502222	388930792	/nfs/dbraw/zinc/93/07/92/388930792.db2.gz	VJBPGUWUTNDNBS-QMMMGPOBSA-N	-1	2	280.353	0.802	20	0		CCADLM
Cc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)nc1	ZINC000329445269	389164361	/nfs/dbraw/zinc/16/43/61/389164361.db2.gz	BHKYWUYIYDOUBW-NSHDSACASA-N	-1	2	260.297	0.966	20	0		CCADLM
COC[C@@](C)(NC(=O)c1cccc2[nH]nnc21)C(=O)OC	ZINC000526114890	390676705	/nfs/dbraw/zinc/67/67/05/390676705.db2.gz	DVEPJOWCJDIZDJ-CYBMUJFWSA-N	-1	2	292.295	0.266	20	0		CCADLM
C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC000548535008	286046177	/nfs/dbraw/zinc/04/61/77/286046177.db2.gz	KILIACWMVABVLU-IUYQGCFVSA-N	-1	2	299.217	0.965	20	0		CCADLM
CCN1CC[C@@H]([N@@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)C1=O	ZINC000660461225	414338118	/nfs/dbraw/zinc/33/81/18/414338118.db2.gz	AZRDYYUIPLQBLN-NXEZZACHSA-N	-1	2	280.328	0.575	20	0		CCADLM
O=C(NC[C@@H]1CCCS1(=O)=O)c1cccc2[nH]nnc21	ZINC000577259003	335330978	/nfs/dbraw/zinc/33/09/78/335330978.db2.gz	WPGMFGAGTOQRNI-QMMMGPOBSA-N	-1	2	294.336	0.265	20	0		CCADLM
Cc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1O	ZINC000676700027	545349140	/nfs/dbraw/zinc/34/91/40/545349140.db2.gz	ZVVLGJOYHKNUOZ-WCBMZHEXSA-N	-1	2	266.345	0.836	20	0		CCADLM
C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCN(C)C(=O)C1	ZINC000736194888	581713365	/nfs/dbraw/zinc/71/33/65/581713365.db2.gz	DFKLYSAIWNGVEW-SNVBAGLBSA-N	-1	2	286.339	0.702	20	0		CCADLM
C[C@H]1C[N@@H+](CCNc2ncccc2-c2nn[nH]n2)CCO1	ZINC000736286183	581729378	/nfs/dbraw/zinc/72/93/78/581729378.db2.gz	MIVAZRQXTUVQHK-JTQLQIEISA-N	-1	2	289.343	0.394	20	0		CCADLM
O=C([O-])CCC(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1	ZINC000738565564	582063246	/nfs/dbraw/zinc/06/32/46/582063246.db2.gz	PASGXOKALKWZSC-UHFFFAOYSA-N	-1	2	277.236	0.833	20	0		CCADLM
O=C([O-])Cc1ccccc1NC(=O)NCc1n[nH]c(=O)[nH]1	ZINC000392308229	597133524	/nfs/dbraw/zinc/13/35/24/597133524.db2.gz	CVPIYYMALRWEJI-UHFFFAOYSA-N	-1	2	291.267	0.459	20	0		CCADLM
O=C([O-])[C@H]1CN(C(=O)c2cccc(Cl)c2O)CCO1	ZINC000821512136	598183663	/nfs/dbraw/zinc/18/36/63/598183663.db2.gz	BBPCQXYECLHIQV-SECBINFHSA-N	-1	2	285.683	0.971	20	0		CCADLM
O=C([O-])[C@@H]1CCC[C@H](C(=O)NCCCc2n[nH]c(=O)[nH]2)C1	ZINC000833182939	601212751	/nfs/dbraw/zinc/21/27/51/601212751.db2.gz	LSKVBTKZHJDATC-DTWKUNHWSA-N	-1	2	296.327	0.450	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N(C)[C@@H]2CCN(C(=O)[O-])C2)n1	ZINC000830678264	603872275	/nfs/dbraw/zinc/87/22/75/603872275.db2.gz	NMFGQYRTSQWMAO-MRVPVSSYSA-N	-1	2	299.356	0.416	20	0		CCADLM
CC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)o2)CC1	ZINC000823981906	613842729	/nfs/dbraw/zinc/84/27/29/613842729.db2.gz	SDBCYYLALJLNGP-UHFFFAOYSA-N	-1	2	290.327	0.514	20	0		CCADLM
CN(Cc1nc(=O)o[n-]1)C(=O)C(F)C(F)(F)F	ZINC000880390882	616101880	/nfs/dbraw/zinc/10/18/80/616101880.db2.gz	XQTKDWBIQVELJG-SCSAIBSYSA-N	-1	2	257.143	0.222	20	0		CCADLM
CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H](F)C(F)(F)F	ZINC000880390882	616101881	/nfs/dbraw/zinc/10/18/81/616101881.db2.gz	XQTKDWBIQVELJG-SCSAIBSYSA-N	-1	2	257.143	0.222	20	0		CCADLM
COC(=O)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)o2)CC1	ZINC000826134121	616468579	/nfs/dbraw/zinc/46/85/79/616468579.db2.gz	SIWCBLBUTYAXGY-UHFFFAOYSA-N	-1	2	291.311	0.845	20	0		CCADLM
COCC[N@H+](Cc1ccc(O)c(F)c1)[C@H](C)C(N)=O	ZINC000813335438	617027824	/nfs/dbraw/zinc/02/78/24/617027824.db2.gz	BWWYYVAXIFEXTE-SECBINFHSA-N	-1	2	270.304	0.854	20	0		CCADLM
Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@H]1CC[N@@H+]1C	ZINC000921414183	638180242	/nfs/dbraw/zinc/18/02/42/638180242.db2.gz	FOESLRNBZXOBOH-MRVPVSSYSA-N	-1	2	292.792	0.364	20	0		CCADLM
O=C(Nn1c(=O)[n-][nH]c1=O)c1ncoc1-c1ccccc1	ZINC000816733641	641206499	/nfs/dbraw/zinc/20/64/99/641206499.db2.gz	GHAZKBOLJXFBGP-UHFFFAOYSA-N	-1	2	287.235	0.728	20	0		CCADLM
O=C(Nn1c(=O)[n-][nH]c1=O)c1csc(-c2ccco2)n1	ZINC001160073212	801903699	/nfs/dbraw/zinc/90/36/99/801903699.db2.gz	HUYDLIAUCYIPRT-UHFFFAOYSA-N	-1	2	293.264	0.790	20	0		CCADLM
CC(=O)N[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)CC(C)(C)C1	ZINC001089285919	816483900	/nfs/dbraw/zinc/48/39/00/816483900.db2.gz	SZFDVUXVWAHPCW-LLVKDONJSA-N	-1	2	295.387	0.235	20	0		CCADLM
C[N@H+]1CCC[C@H](NS(=O)(=O)c2nccs2)C1	ZINC001187908018	844795297	/nfs/dbraw/zinc/79/52/97/844795297.db2.gz	GOZAJAQEMIDHGH-QMMMGPOBSA-N	-1	2	261.372	0.516	20	0		CCADLM
O=C(NCc1nn[nH]n1)c1ccc([O-])c(F)c1F	ZINC001192842221	845921611	/nfs/dbraw/zinc/92/16/11/845921611.db2.gz	GKOUMLGJSPDDEW-UHFFFAOYSA-N	-1	2	255.184	0.114	20	0		CCADLM
O=C([O-])[C@@H](C(=O)NOCc1cccnc1)C1CC1	ZINC001594836275	954027043	/nfs/dbraw/zinc/02/70/43/954027043.db2.gz	SKIYKXZWPJLQNY-SNVBAGLBSA-N	-1	2	250.254	0.740	20	0		CCADLM
Cc1noc(N[C@H]2CCCCN(CC(=O)[O-])C2=O)n1	ZINC001594502524	955334906	/nfs/dbraw/zinc/33/49/06/955334906.db2.gz	QYGSBRSEJOWQIC-QMMMGPOBSA-N	-1	2	268.273	0.256	20	0		CCADLM
CC(C)[C@H](C(=O)[O-])C(=O)N[C@H](C)c1nn(C)cc1O	ZINC001589088210	955914353	/nfs/dbraw/zinc/91/43/53/955914353.db2.gz	KNXBCSHHJYCLFC-APPZFPTMSA-N	-1	2	269.301	0.660	20	0		CCADLM
CC(C)[C@H](C(=O)[O-])C(=O)N[C@H](C)C1=NN(C)CC1=O	ZINC001589088210	955914343	/nfs/dbraw/zinc/91/43/43/955914343.db2.gz	KNXBCSHHJYCLFC-APPZFPTMSA-N	-1	2	269.301	0.660	20	0		CCADLM
C[C@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)C1=NN(C)CC1=O	ZINC001589088261	955915847	/nfs/dbraw/zinc/91/58/47/955915847.db2.gz	MWSZBOXNRZFGIK-RCOVLWMOSA-N	-1	2	267.285	0.414	20	0		CCADLM
C[C@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)c1nn(C)cc1O	ZINC001589088261	955915856	/nfs/dbraw/zinc/91/58/56/955915856.db2.gz	MWSZBOXNRZFGIK-RCOVLWMOSA-N	-1	2	267.285	0.414	20	0		CCADLM
C[C@@H](CC(=O)[O-])C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC001592341851	977792150	/nfs/dbraw/zinc/79/21/50/977792150.db2.gz	GRNHNKHTEGHORF-JGVFFNPUSA-N	-1	2	282.300	0.327	20	0		CCADLM
C[C@H](CC(=O)[O-])C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1	ZINC001592342244	977797426	/nfs/dbraw/zinc/79/74/26/977797426.db2.gz	WTTVWPVAIUPDGD-SSDOTTSWSA-N	-1	2	282.300	0.327	20	0		CCADLM
CC[C@H](CS(=O)(=O)NCC(F)(F)C(=O)[O-])OC	ZINC001595202044	979950519	/nfs/dbraw/zinc/95/05/19/979950519.db2.gz	ASUKGXBURHMMHP-ZCFIWIBFSA-N	-1	2	275.273	0.051	20	0		CCADLM
CC(C)(CNC(=O)C[C@H]1SC(=N)NC1=O)CC(=O)[O-]	ZINC001590708484	990460495	/nfs/dbraw/zinc/46/04/95/990460495.db2.gz	LJFUYKIFJOLDID-ZCFIWIBFSA-N	-1	2	287.341	0.160	20	0		CCADLM
C[C@H](NC(=O)c1cc(C(=O)[O-])ccn1)c1nn(C)cc1O	ZINC001593151044	993961276	/nfs/dbraw/zinc/96/12/76/993961276.db2.gz	ZYIBXGOIMFXDAQ-ZETCQYMHSA-N	-1	2	290.279	0.710	20	0		CCADLM
C[C@](NCc1n[nH]c(=O)[nH]1)(C(=O)[O-])c1ccccc1	ZINC001593312359	994800715	/nfs/dbraw/zinc/80/07/15/994800715.db2.gz	UTEVYFQODMCEAY-GFCCVEGCSA-N	-1	2	262.269	0.600	20	0		CCADLM
COC(=O)[C@H](CC(=O)[O-])NC(=O)C(F)C(F)(F)F	ZINC001598693148	995094979	/nfs/dbraw/zinc/09/49/79/995094979.db2.gz	GVMIJDRQVXZQJJ-UCORVYFPSA-N	-1	2	275.154	0.019	20	0		CCADLM
COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](F)C(F)(F)F	ZINC001598693148	995094985	/nfs/dbraw/zinc/09/49/85/995094985.db2.gz	GVMIJDRQVXZQJJ-UCORVYFPSA-N	-1	2	275.154	0.019	20	0		CCADLM
COC(=O)CC[C@@H](NC(=O)C(F)C(F)(F)F)C(=O)[O-]	ZINC001598854757	996628645	/nfs/dbraw/zinc/62/86/45/996628645.db2.gz	BTHOTDMPXBTVQR-XINAWCOVSA-N	-1	2	289.181	0.409	20	0		CCADLM
COC(=O)CC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C(=O)[O-]	ZINC001598854757	996628649	/nfs/dbraw/zinc/62/86/49/996628649.db2.gz	BTHOTDMPXBTVQR-XINAWCOVSA-N	-1	2	289.181	0.409	20	0		CCADLM
CCOC(=O)C[C@@H](C)N(C)C(=O)N=c1ccc(OC)n[n-]1	ZINC000346639940	137296419	/nfs/dbraw/zinc/29/64/19/137296419.db2.gz	UIZDOZKVHMCHRR-SECBINFHSA-N	-1	2	296.327	0.713	20	0		CCADLM
Cc1onc(N)c1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000559691448	291087307	/nfs/dbraw/zinc/08/73/07/291087307.db2.gz	MRCCTPRCMJGBMP-UHFFFAOYSA-N	-1	2	297.292	0.895	20	0		CCADLM
CCOC1CC2(C1)CC[N@H+](Cc1nc(=O)n(C)[nH]1)C2	ZINC000329056414	202169955	/nfs/dbraw/zinc/16/99/55/202169955.db2.gz	IGDZKLVBZXYMPV-UHFFFAOYSA-N	-1	2	266.345	0.499	20	0		CCADLM
CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4n[nH]c(=O)[nH]4)[C@H]1[C@H]3C2	ZINC000352683851	294038753	/nfs/dbraw/zinc/03/87/53/294038753.db2.gz	VZETWPUOCBUVHX-MVBDTIADSA-N	-1	2	250.302	0.366	20	0		CCADLM
COCc1nsc(NC[C@@]2(C(=O)[O-])CCCOC2)n1	ZINC000630462377	370125239	/nfs/dbraw/zinc/12/52/39/370125239.db2.gz	BKZWGQLMESFVMD-NSHDSACASA-N	-1	2	287.341	0.400	20	0		CCADLM
CCCc1nc(=NC(=O)NCc2n[nH]c(=O)[nH]2)s[n-]1	ZINC000350980349	389558973	/nfs/dbraw/zinc/55/89/73/389558973.db2.gz	HOPZPTQXDXGIEE-UHFFFAOYSA-N	-1	2	283.317	0.058	20	0		CCADLM
O=C(NCCc1nc(=O)o[n-]1)c1cc(F)c(O)c(F)c1	ZINC000447636025	389960527	/nfs/dbraw/zinc/96/05/27/389960527.db2.gz	IJOPDFPIWPUEPA-UHFFFAOYSA-N	-1	2	285.206	0.319	20	0		CCADLM
C[N@@H+](Cc1ncccc1O)C[C@@H]1CCS(=O)(=O)C1	ZINC000554854126	390443687	/nfs/dbraw/zinc/44/36/87/390443687.db2.gz	LDADVHDGZQQWLP-JTQLQIEISA-N	-1	2	270.354	0.654	20	0		CCADLM
COCCOC[C@@H](C)NC(=O)c1cccc2[nH]nnc21	ZINC000526115223	390677551	/nfs/dbraw/zinc/67/75/51/390677551.db2.gz	KCUBOVBINWZEAX-SECBINFHSA-N	-1	2	278.312	0.739	20	0		CCADLM
C[C@H](C(F)(F)F)S(=O)(=O)NC[C@@H](C)CC(=O)[O-]	ZINC000548264042	286020699	/nfs/dbraw/zinc/02/06/99/286020699.db2.gz	HVKSVAUGVIBIAC-NTSWFWBYSA-N	-1	2	277.264	0.967	20	0		CCADLM
O=C([O-])[C@H]1COCCN1C(=O)c1cc(F)c(O)c(F)c1	ZINC000653558229	412318273	/nfs/dbraw/zinc/31/82/73/412318273.db2.gz	SARGNKQNPUSTAP-SECBINFHSA-N	-1	2	287.218	0.596	20	0		CCADLM
COCc1ncc(C(=O)Nc2nc(C)n[nH]2)s1	ZINC000285746562	196385912	/nfs/dbraw/zinc/38/59/12/196385912.db2.gz	WFSUPPLWJAUGLU-UHFFFAOYSA-N	-1	2	253.287	0.968	20	0		CCADLM
CO[C@@H](C)c1nc(=NCc2n[nH]c(=O)[nH]2)s[n-]1	ZINC000392646070	545087629	/nfs/dbraw/zinc/08/76/29/545087629.db2.gz	LPIQAEOKGOVWIO-BYPYZUCNSA-N	-1	2	256.291	0.103	20	0		CCADLM
O=C(NCCCc1n[nH]c(=O)[nH]1)[C@@H]1CCC[N@@H+]1C1CC1	ZINC000574504590	327339229	/nfs/dbraw/zinc/33/92/29/327339229.db2.gz	AJBZHMADCZIURL-JTQLQIEISA-N	-1	2	279.344	0.186	20	0		CCADLM
CCOc1n[nH]c(=NC[C@](C)(O)C(=O)[O-])c2ccccc21	ZINC000583207140	329365234	/nfs/dbraw/zinc/36/52/34/329365234.db2.gz	NUKCDLLLVPKYKP-AWEZNQCLSA-N	-1	2	291.307	0.698	20	0		CCADLM
O=C(NC[C@H]1CCCS1(=O)=O)c1cccc2[nH]nnc21	ZINC000577259002	335330887	/nfs/dbraw/zinc/33/08/87/335330887.db2.gz	WPGMFGAGTOQRNI-MRVPVSSYSA-N	-1	2	294.336	0.265	20	0		CCADLM
O=C([N-]OC1CCCCC1)c1n[nH]c(=O)[nH]c1=O	ZINC000779317226	581180594	/nfs/dbraw/zinc/18/05/94/581180594.db2.gz	MIHNITNVOWAYDI-UHFFFAOYSA-N	-1	2	254.246	0.277	20	0		CCADLM
O=C([O-])c1ccncc1NS(=O)(=O)c1cccnc1	ZINC000079701015	600513043	/nfs/dbraw/zinc/51/30/43/600513043.db2.gz	GALJHBPMEQCBSP-UHFFFAOYSA-N	-1	2	279.277	0.976	20	0		CCADLM
Cc1n[nH]c(NC(=O)CCC(C)(C)NC(=O)[O-])n1	ZINC000740222257	602832530	/nfs/dbraw/zinc/83/25/30/602832530.db2.gz	JIYRTENTRXBDFN-UHFFFAOYSA-N	-1	2	255.278	0.878	20	0		CCADLM
O=C([O-])Nc1cc(C(=O)NCc2n[nH]c(=O)[nH]2)ccc1F	ZINC000832821377	603953935	/nfs/dbraw/zinc/95/39/35/603953935.db2.gz	ZNAJPZYAMYGKDN-UHFFFAOYSA-N	-1	2	295.230	0.669	20	0		CCADLM
N=C1NC(=O)[C@@H](CC(=O)N2CCC[C@@H]2CC(=O)[O-])S1	ZINC000833087813	604751682	/nfs/dbraw/zinc/75/16/82/604751682.db2.gz	DLZVTTMAGQSCQS-RNFRBKRXSA-N	-1	2	285.325	0.009	20	0		CCADLM
C[C@@H]1[C@H](C)N(C(=O)[O-])CCN1Cc1n[nH]c(=O)[nH]1	ZINC000833825317	606040044	/nfs/dbraw/zinc/04/00/44/606040044.db2.gz	BAUBMMRQEIWCGI-RQJHMYQMSA-N	-1	2	255.278	0.083	20	0		CCADLM
CC(C)C[C@H](NC(=O)C[C@@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC000817863281	614219189	/nfs/dbraw/zinc/21/91/89/614219189.db2.gz	CGTDNKOFGWWEQC-BQBZGAKWSA-N	-1	2	287.341	0.158	20	0		CCADLM
CCO[N-]C(=O)CNC(=O)c1cccc(Cl)c1O	ZINC000846492626	615372103	/nfs/dbraw/zinc/37/21/03/615372103.db2.gz	BEZZFYVELLPCNK-UHFFFAOYSA-N	-1	2	272.688	0.843	20	0		CCADLM
Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@@H]2C(=O)NCC2(C)C)n1	ZINC000931654380	630968126	/nfs/dbraw/zinc/96/81/26/630968126.db2.gz	KYZQZINDZISUNY-WCBMZHEXSA-N	-1	2	264.329	0.666	20	0		CCADLM
C[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)CCC1=O	ZINC000801943102	640678012	/nfs/dbraw/zinc/67/80/12/640678012.db2.gz	KAKXJDBCGXIWKP-MRVPVSSYSA-N	-1	2	266.263	0.966	20	0		CCADLM
O=C1C[C@H](Oc2ccc(O[P@](=O)([O-])O)cc2)CO1	ZINC001234340685	806227297	/nfs/dbraw/zinc/22/72/97/806227297.db2.gz	VQYJPHVNGYRFGI-VIFPVBQESA-N	-1	2	274.165	0.852	20	0		CCADLM
O=C1C[C@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)CO1	ZINC001234340685	806227303	/nfs/dbraw/zinc/22/73/03/806227303.db2.gz	VQYJPHVNGYRFGI-VIFPVBQESA-N	-1	2	274.165	0.852	20	0		CCADLM
C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](OCc2nn[nH]n2)C1	ZINC001223026945	804947490	/nfs/dbraw/zinc/94/74/90/804947490.db2.gz	KFZQTWLMYPPTDP-WDEREUQCSA-N	-1	2	274.328	0.947	20	0		CCADLM
Cn1cnc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC001260220757	808857555	/nfs/dbraw/zinc/85/75/55/808857555.db2.gz	LVIDCNWMDYEEEQ-UHFFFAOYSA-N	-1	2	281.293	0.919	20	0		CCADLM
O=C([O-])CCC(=O)CNC(=O)c1cc(F)c(O)cc1F	ZINC001192887117	845926136	/nfs/dbraw/zinc/92/61/36/845926136.db2.gz	AVJFTRYFDAQVPL-UHFFFAOYSA-N	-1	2	287.218	0.834	20	0		CCADLM
O=C([O-])CC[C@@H]1CCCN(C(=O)CCc2cnn[nH]2)C1	ZINC000901573793	851755455	/nfs/dbraw/zinc/75/54/55/851755455.db2.gz	SEOXABJDPIBQDO-JTQLQIEISA-N	-1	2	280.328	0.841	20	0		CCADLM
Cc1[nH+]ccn1-c1ccc(NCCOP(=O)([O-])[O-])nn1	ZINC001168590433	897710552	/nfs/dbraw/zinc/71/05/52/897710552.db2.gz	ZHXDEJHNXGHGAG-UHFFFAOYSA-N	-1	2	299.227	0.492	20	0		CCADLM
C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@H](c2nn[nH]n2)C1	ZINC001363293883	929086190	/nfs/dbraw/zinc/08/61/90/929086190.db2.gz	ZLVQYLSOFIOSJN-SFYZADRCSA-N	-1	2	275.320	0.072	20	0		CCADLM
C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@H](c2nn[nH]n2)C1	ZINC001363293883	929086202	/nfs/dbraw/zinc/08/62/02/929086202.db2.gz	ZLVQYLSOFIOSJN-SFYZADRCSA-N	-1	2	275.320	0.072	20	0		CCADLM
C[C@H](NC(=O)C1(C(=O)[O-])CCOCC1)c1nn(C)cc1O	ZINC001603216050	972329860	/nfs/dbraw/zinc/32/98/60/972329860.db2.gz	NEQUEKSKSJDKHD-QMMMGPOBSA-N	-1	2	297.311	0.184	20	0		CCADLM
COC[C@](C)(NC(=O)C(F)C(F)(F)F)C(=O)[O-]	ZINC001599152271	998314589	/nfs/dbraw/zinc/31/45/89/998314589.db2.gz	ZVROOZCQMMBDBW-FBCQKBJTSA-N	-1	2	261.171	0.493	20	0		CCADLM
COC[C@](C)(NC(=O)[C@@H](F)C(F)(F)F)C(=O)[O-]	ZINC001599152271	998314596	/nfs/dbraw/zinc/31/45/96/998314596.db2.gz	ZVROOZCQMMBDBW-FBCQKBJTSA-N	-1	2	261.171	0.493	20	0		CCADLM
O=c1[nH]nc(CCCN=c2[n-]nc(-c3ccon3)s2)[nH]1	ZINC000342854299	137100793	/nfs/dbraw/zinc/10/07/93/137100793.db2.gz	STXUQVKYQGKCKK-UHFFFAOYSA-N	-1	2	293.312	0.483	20	0		CCADLM
CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cc(O)cc(F)c2)C1	ZINC000186234461	351486605	/nfs/dbraw/zinc/48/66/05/351486605.db2.gz	UZKPANWLFUNQRK-NSHDSACASA-N	-1	2	288.344	0.655	20	0		CCADLM
COC[C@@H]1CCN1C(=O)c1c[nH]c2c(cnn2C)c1=O	ZINC000354012456	356330671	/nfs/dbraw/zinc/33/06/71/356330671.db2.gz	ZHHGIOJYWATHIR-QMMMGPOBSA-N	-1	2	276.296	0.535	20	0		CCADLM
Nc1noc(CCN=c2[n-]nc(-c3ccccn3)s2)n1	ZINC000354606565	356450818	/nfs/dbraw/zinc/45/08/18/356450818.db2.gz	PHCLERIBTUJHAG-UHFFFAOYSA-N	-1	2	289.324	0.472	20	0		CCADLM
O=C([O-])c1cn(CCN=c2[nH]nc(C3CC3)s2)nn1	ZINC000569977715	358811006	/nfs/dbraw/zinc/81/10/06/358811006.db2.gz	RZFWTHPVZOPNNA-UHFFFAOYSA-N	-1	2	280.313	0.239	20	0		CCADLM
CC(C)[C@@H](C(=O)NC1(c2nn[nH]n2)CC1)[NH+]1CCCCC1	ZINC000348297982	389374279	/nfs/dbraw/zinc/37/42/79/389374279.db2.gz	MQCYAGKMGJNXRI-NSHDSACASA-N	-1	2	292.387	0.816	20	0		CCADLM
CC(C)[C@@H](CCO)[NH2+]Cc1cc(=O)n2[nH]ccc2n1	ZINC000162291325	389417775	/nfs/dbraw/zinc/41/77/75/389417775.db2.gz	MYIFVOIQHCMRJK-LLVKDONJSA-N	-1	2	264.329	0.519	20	0		CCADLM
Cc1cc(F)ccc1C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1	ZINC000334356182	389472038	/nfs/dbraw/zinc/47/20/38/389472038.db2.gz	MPGVLJTULMBQEC-GFCCVEGCSA-N	-1	2	277.299	0.870	20	0		CCADLM
O=c1[n-]c(SCCCSc2n[nH]c(=O)[nH]2)n[nH]1	ZINC000446049731	389929022	/nfs/dbraw/zinc/92/90/22/389929022.db2.gz	ACGCRXSNXKACHS-UHFFFAOYSA-N	-1	2	274.331	0.609	20	0		CCADLM
C[C@H]1CCN(C(=O)N=c2cccn[nH]2)C[C@@H]1C(=O)[O-]	ZINC000647697459	390140288	/nfs/dbraw/zinc/14/02/88/390140288.db2.gz	LALJDQLQTKSHSW-IUCAKERBSA-N	-1	2	264.285	0.473	20	0		CCADLM
CO[C@@H](CS(=O)(=O)N[C@H]1C[NH2+]CCC1(F)F)C1CC1	ZINC000565950784	390561545	/nfs/dbraw/zinc/56/15/45/390561545.db2.gz	JPBIXGOUVXBHMP-UWVGGRQHSA-N	-1	2	298.355	0.328	20	0		CCADLM
O=c1[nH]nc([C@H]2CCC[N@@H+](C[C@@H](O)CC3(O)CCC3)C2)o1	ZINC000528497814	390751146	/nfs/dbraw/zinc/75/11/46/390751146.db2.gz	SKXJMAVKNXNJSK-QWRGUYRKSA-N	-1	2	297.355	0.621	20	0		CCADLM
C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CC1)c1nn[nH]n1	ZINC000578394697	390881618	/nfs/dbraw/zinc/88/16/18/390881618.db2.gz	PPIQYTRXNCYKOO-KOLCDFICSA-N	-1	2	278.360	0.388	20	0		CCADLM
C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CC1)c1nn[nH]n1	ZINC000578394697	390881620	/nfs/dbraw/zinc/88/16/20/390881620.db2.gz	PPIQYTRXNCYKOO-KOLCDFICSA-N	-1	2	278.360	0.388	20	0		CCADLM
Cc1cc(=NC(=O)N2CC[C@](C)(C(=O)[O-])C2)[nH]nc1C	ZINC000417756456	301047175	/nfs/dbraw/zinc/04/71/75/301047175.db2.gz	SGNNEWCCPFOTLX-ZDUSSCGKSA-N	-1	2	278.312	0.844	20	0		CCADLM
CCCc1n[n-]c(=NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])s1	ZINC000576488295	335211011	/nfs/dbraw/zinc/21/10/11/335211011.db2.gz	CZAMOHPDIRZSRJ-VIFPVBQESA-N	-1	2	298.416	0.019	20	0		CCADLM
C[C@@H](NS(=O)(=O)CC(F)(F)F)[C@H](C)C(=O)[O-]	ZINC000577488536	335357878	/nfs/dbraw/zinc/35/78/78/335357878.db2.gz	BPBFDPGSHMOCRH-CRCLSJGQSA-N	-1	2	263.237	0.577	20	0		CCADLM
COc1ccc(NS(=O)(=O)c2c[nH]cn2)c(C(=O)[O-])c1	ZINC000148542012	524682935	/nfs/dbraw/zinc/68/29/35/524682935.db2.gz	DAAXREFIINLBCL-UHFFFAOYSA-N	-1	2	297.292	0.917	20	0		CCADLM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccnn1C	ZINC000055312561	526762344	/nfs/dbraw/zinc/76/23/44/526762344.db2.gz	SYDSPPXCKPVBMU-UHFFFAOYSA-N	-1	2	285.281	0.821	20	0		CCADLM
COC(=O)[C@](C)([NH2+]CCCNC(=O)C(F)(F)F)C1CC1	ZINC000774764923	581996527	/nfs/dbraw/zinc/99/65/27/581996527.db2.gz	GFJZTGFCQDNDLM-LLVKDONJSA-N	-1	2	296.289	0.986	20	0		CCADLM
COc1cc(C[NH+](CC(=O)[O-])CC(=O)[O-])cc(OC)c1	ZINC000086774118	600226835	/nfs/dbraw/zinc/22/68/35/600226835.db2.gz	NVUMJPJSAITGKO-UHFFFAOYSA-N	-1	2	283.280	0.675	20	0		CCADLM
O=C([O-])Nc1cccc(C(=O)NCc2n[nH]c(=O)[nH]2)c1	ZINC000833287839	601385360	/nfs/dbraw/zinc/38/53/60/601385360.db2.gz	BBFUVOMFPMRFGL-UHFFFAOYSA-N	-1	2	277.240	0.530	20	0		CCADLM
CSC[C@@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-]	ZINC000906005459	617250483	/nfs/dbraw/zinc/25/04/83/617250483.db2.gz	RCEZJOUTCIEXTE-CRCLSJGQSA-N	-1	2	295.304	0.673	20	0		CCADLM
CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)CCCc1nn[nH]n1	ZINC000886600209	614200683	/nfs/dbraw/zinc/20/06/83/614200683.db2.gz	PAWRCEHKKHZJTM-GFCCVEGCSA-N	-1	2	294.403	0.711	20	0		CCADLM
CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)CCCc1nn[nH]n1	ZINC000886600209	614200686	/nfs/dbraw/zinc/20/06/86/614200686.db2.gz	PAWRCEHKKHZJTM-GFCCVEGCSA-N	-1	2	294.403	0.711	20	0		CCADLM
CC[C@@](C)(CC(=O)[O-])NC(=O)C[C@@H]1SC(=N)NC1=O	ZINC000828617614	615588104	/nfs/dbraw/zinc/58/81/04/615588104.db2.gz	HPWCAJQKHVSSPU-KGFZYKRKSA-N	-1	2	287.341	0.302	20	0		CCADLM
Cc1noc(C(C)C)c1C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000854610844	644234503	/nfs/dbraw/zinc/23/45/03/644234503.db2.gz	ONODBAFXCCJTCL-UHFFFAOYSA-N	-1	2	267.245	0.493	20	0		CCADLM
C[C@@H](O)CC(=O)Oc1ccc(O[P@@](=O)([O-])O)cc1	ZINC001234341192	806225778	/nfs/dbraw/zinc/22/57/78/806225778.db2.gz	YAZFUZTUGYIJTL-SSDOTTSWSA-N	-1	2	276.181	0.834	20	0		CCADLM
C[C@@H](O)CC(=O)Oc1ccc(O[P@](=O)([O-])O)cc1	ZINC001234341192	806225784	/nfs/dbraw/zinc/22/57/84/806225784.db2.gz	YAZFUZTUGYIJTL-SSDOTTSWSA-N	-1	2	276.181	0.834	20	0		CCADLM
CCC(C)(CC)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001151593847	800440314	/nfs/dbraw/zinc/44/03/14/800440314.db2.gz	QELANVYHAWOHRV-UHFFFAOYSA-N	-1	2	283.376	0.141	20	0		CCADLM
Cn1cnc2cncc(C(=O)N3CC[C@@H](c4nnn[n-]4)C3)c21	ZINC001153002004	800579873	/nfs/dbraw/zinc/57/98/73/800579873.db2.gz	OYNXKARDUXQCSF-MRVPVSSYSA-N	-1	2	298.310	0.111	20	0		CCADLM
Cn1cnc2cncc(C(=O)N3CC[C@@H](c4nn[n-]n4)C3)c21	ZINC001153002004	800579876	/nfs/dbraw/zinc/57/98/76/800579876.db2.gz	OYNXKARDUXQCSF-MRVPVSSYSA-N	-1	2	298.310	0.111	20	0		CCADLM
O=[P@@]([O-])(O)c1ccc(-c2cnn(C3COC3)c2)cc1	ZINC001240795248	806953623	/nfs/dbraw/zinc/95/36/23/806953623.db2.gz	RZYGEZMSASTYOD-UHFFFAOYSA-N	-1	2	280.220	0.924	20	0		CCADLM
O=[P@]([O-])(O)c1ccc(-c2cnn(C3COC3)c2)cc1	ZINC001240795248	806953625	/nfs/dbraw/zinc/95/36/25/806953625.db2.gz	RZYGEZMSASTYOD-UHFFFAOYSA-N	-1	2	280.220	0.924	20	0		CCADLM
O=[P@@]([O-])(O)c1ccc(N[C@@H]2CCS(=O)(=O)C2)cc1	ZINC001162507662	802356884	/nfs/dbraw/zinc/35/68/84/802356884.db2.gz	ZDHKEIYINRJLSR-SECBINFHSA-N	-1	2	291.265	0.089	20	0		CCADLM
O=[P@]([O-])(O)c1ccc(N[C@@H]2CCS(=O)(=O)C2)cc1	ZINC001162507662	802356891	/nfs/dbraw/zinc/35/68/91/802356891.db2.gz	ZDHKEIYINRJLSR-SECBINFHSA-N	-1	2	291.265	0.089	20	0		CCADLM
O=S(=O)([N-]c1ncc(F)cc1O)C1CCOCC1	ZINC001259908235	808797939	/nfs/dbraw/zinc/79/79/39/808797939.db2.gz	DHNBYYMALTZZFH-UHFFFAOYSA-N	-1	2	276.289	0.847	20	0		CCADLM
O=C(NCc1cnc[nH]1)c1cc(S(=O)(=O)[O-])ccc1O	ZINC001148915557	840902279	/nfs/dbraw/zinc/90/22/79/840902279.db2.gz	SUCYWNYSBAZPTE-UHFFFAOYSA-N	-1	2	297.292	0.292	20	0		CCADLM
N=C(NC(=O)C(F)(F)C(F)(F)C(=O)[O-])c1ncc[nH]1	ZINC001180176699	843110168	/nfs/dbraw/zinc/11/01/68/843110168.db2.gz	LJFPBSYSBJGSTF-UHFFFAOYSA-N	-1	2	282.153	0.206	20	0		CCADLM
Cn1cc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cn1	ZINC000037461963	848180523	/nfs/dbraw/zinc/18/05/23/848180523.db2.gz	JUDMTHYIQHDNGA-UHFFFAOYSA-N	-1	2	297.292	0.625	20	0		CCADLM
O=C(CC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1)N1CCCC1	ZINC001363246943	929022285	/nfs/dbraw/zinc/02/22/85/929022285.db2.gz	FRDYSVJICLLKKQ-LLVKDONJSA-N	-1	2	293.371	0.702	20	0		CCADLM
CC[C@H](CS(=O)(=O)Nc1ccn(CC(=O)[O-])n1)OC	ZINC001589557954	948799669	/nfs/dbraw/zinc/79/96/69/948799669.db2.gz	MWARQDFOZUUASM-MRVPVSSYSA-N	-1	2	291.329	0.134	20	0		CCADLM
Cc1cc(C(=O)[O-])cc(C(=O)NCc2n[nH]c(=O)[nH]2)c1	ZINC001594286702	957785364	/nfs/dbraw/zinc/78/53/64/957785364.db2.gz	VKQOTEPAAVCJDJ-UHFFFAOYSA-N	-1	2	276.252	0.447	20	0		CCADLM
N=C1NC(=O)[C@H](CC(=O)N2C3CCC2(C(=O)[O-])CC3)S1	ZINC001571061463	960766834	/nfs/dbraw/zinc/76/68/34/960766834.db2.gz	BRNQNABBQHHTEJ-OGPOBYPUSA-N	-1	2	297.336	0.151	20	0		CCADLM
O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(F)C(F)(F)F)C2	ZINC001605660952	974064601	/nfs/dbraw/zinc/06/46/01/974064601.db2.gz	XYCGRLXJVVCLPD-QIOHGKGESA-N	-1	2	285.193	0.446	20	0		CCADLM
O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@H](F)C(F)(F)F)C2	ZINC001605660952	974064606	/nfs/dbraw/zinc/06/46/06/974064606.db2.gz	XYCGRLXJVVCLPD-QIOHGKGESA-N	-1	2	285.193	0.446	20	0		CCADLM
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NOCCCC(=O)[O-])C1	ZINC001594624493	986684934	/nfs/dbraw/zinc/68/49/34/986684934.db2.gz	VXXUYTFDMGALDQ-PSASIEDQSA-N	-1	2	281.312	0.988	20	0		CCADLM
Cc1n[nH]cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O	ZINC000037730502	348199400	/nfs/dbraw/zinc/19/94/00/348199400.db2.gz	DHYUNYGCXIFRGG-UHFFFAOYSA-N	-1	2	297.292	0.923	20	0		CCADLM
C[C@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)[C@@H]1CO	ZINC000346276823	137276408	/nfs/dbraw/zinc/27/64/08/137276408.db2.gz	MYPDZPQQAWKAMW-CMPLNLGQSA-N	-1	2	276.340	0.615	20	0		CCADLM
CCOC(=O)c1coc(=NCCCc2n[nH]c(=O)[nH]2)[n-]1	ZINC000346368997	137282288	/nfs/dbraw/zinc/28/22/88/137282288.db2.gz	JVXSYZZOCBGWQS-UHFFFAOYSA-N	-1	2	281.272	0.142	20	0		CCADLM
COc1ccc(=NC(=O)NCC2([C@@H](O)C(C)C)CC2)[n-]n1	ZINC000346638681	137296313	/nfs/dbraw/zinc/29/63/13/137296313.db2.gz	SAJHRRDBNNBWEN-LBPRGKRZSA-N	-1	2	294.355	0.826	20	0		CCADLM
COc1ccc(=NC(=O)N(C)C[C@@H](O)C(F)(F)F)[n-]n1	ZINC000346641556	137296620	/nfs/dbraw/zinc/29/66/20/137296620.db2.gz	VTQVSTVIIGWOLE-ZCFIWIBFSA-N	-1	2	294.233	0.294	20	0		CCADLM
CC(C)Cn1cnc(S(=O)(=O)NCCn2cc[nH+]c2)c1	ZINC000174963462	351112212	/nfs/dbraw/zinc/11/22/12/351112212.db2.gz	INFVCZMRBKJOSZ-UHFFFAOYSA-N	-1	2	297.384	0.714	20	0		CCADLM
Cc1cc(=NC(=O)N2CCC[C@@H](C(=O)[O-])C2)[nH]nc1C	ZINC000417753340	234002895	/nfs/dbraw/zinc/00/28/95/234002895.db2.gz	OJRWVLGKWCDOST-SNVBAGLBSA-N	-1	2	278.312	0.844	20	0		CCADLM
O=C1NC(=O)N2CC[N@@H+](Cc3cnc4ccccc4c3)C[C@@H]12	ZINC000530807731	358424535	/nfs/dbraw/zinc/42/45/35/358424535.db2.gz	NLAWVWIBUNMEQA-AWEZNQCLSA-N	-1	2	296.330	0.971	20	0		CCADLM
O=C(N=c1[n-]nc2n1CCCC2)c1cc(C(F)F)n[nH]1	ZINC000640103899	376238100	/nfs/dbraw/zinc/23/81/00/376238100.db2.gz	VVVBOTPEJWZMBW-UHFFFAOYSA-N	-1	2	282.254	0.949	20	0		CCADLM
COc1cncc(C[N@@H+]2CCC[C@H](c3nc(=O)[nH][nH]3)C2)c1	ZINC000289463067	197359580	/nfs/dbraw/zinc/35/95/80/197359580.db2.gz	QGCFDNZKMKKWOP-NSHDSACASA-N	-1	2	289.339	0.881	20	0		CCADLM
Cn1ncc(NS(=O)(=O)c2cccs2)c1C(=O)[O-]	ZINC000536685432	390170717	/nfs/dbraw/zinc/17/07/17/390170717.db2.gz	XWEIZKCTLHBCBE-UHFFFAOYSA-N	-1	2	287.322	0.981	20	0		CCADLM
NC(=O)[C@H](NC(=O)c1cccc2[nH]nnc21)c1ccccc1	ZINC000526115270	390676735	/nfs/dbraw/zinc/67/67/35/390676735.db2.gz	WCVOWAASQWOWLL-GFCCVEGCSA-N	-1	2	295.302	0.914	20	0		CCADLM
COC[C@](C)(NC(=O)c1cccc2[nH]nnc21)C(=O)OC	ZINC000526114891	390677577	/nfs/dbraw/zinc/67/75/77/390677577.db2.gz	DVEPJOWCJDIZDJ-ZDUSSCGKSA-N	-1	2	292.295	0.266	20	0		CCADLM
O=C([O-])C1(C(=O)NCc2n[nH]c(=O)[nH]2)CCCCCC1	ZINC000663092662	414979513	/nfs/dbraw/zinc/97/95/13/414979513.db2.gz	QDCXZBZVBKRCHK-UHFFFAOYSA-N	-1	2	282.300	0.552	20	0		CCADLM
Cc1c(NS(=O)(=O)c2cnnn2C)cccc1C(=O)[O-]	ZINC000682832913	545491084	/nfs/dbraw/zinc/49/10/84/545491084.db2.gz	PEJVOMMKOGHBOC-UHFFFAOYSA-N	-1	2	296.308	0.623	20	0		CCADLM
CCN(CC)C(=O)CNC(=O)c1cccc2[nH]nnc21	ZINC000783575930	581350223	/nfs/dbraw/zinc/35/02/23/581350223.db2.gz	GONUSBQXRXHDHL-UHFFFAOYSA-N	-1	2	275.312	0.556	20	0		CCADLM
C[C@H]1COCC[N@H+]1CCNc1ccc(-c2nn[nH]n2)cn1	ZINC000736295073	581732439	/nfs/dbraw/zinc/73/24/39/581732439.db2.gz	YDUYCGNUQIHUFR-JTQLQIEISA-N	-1	2	289.343	0.394	20	0		CCADLM
Cc1cc(NS(=O)(=O)c2ccn(C)n2)c(C(=O)[O-])[nH]1	ZINC000738463480	582053877	/nfs/dbraw/zinc/05/38/77/582053877.db2.gz	HBHGBZGWURLHCD-UHFFFAOYSA-N	-1	2	284.297	0.556	20	0		CCADLM
O=C([O-])[C@H]1CN(C(=O)c2c(O)cc(F)cc2F)CCO1	ZINC000738546841	582061112	/nfs/dbraw/zinc/06/11/12/582061112.db2.gz	BMLKGWZTBBYJET-SECBINFHSA-N	-1	2	287.218	0.596	20	0		CCADLM
O=C([O-])c1nscc1NS(=O)(=O)C[C@H]1CCCO1	ZINC000833347277	602202847	/nfs/dbraw/zinc/20/28/47/602202847.db2.gz	WSYABIGWOCOITQ-ZCFIWIBFSA-N	-1	2	292.338	0.762	20	0		CCADLM
O=C([O-])N1CC(NC(=O)c2cc(F)c(O)c(F)c2)C1	ZINC000834018239	605856211	/nfs/dbraw/zinc/85/62/11/605856211.db2.gz	JTYZSZIFBJBGBL-UHFFFAOYSA-N	-1	2	272.207	0.762	20	0		CCADLM
CCc1nc([C@@H](C)Nc2ccc(-c3nn[nH]n3)nn2)n[nH]1	ZINC000825745544	615753849	/nfs/dbraw/zinc/75/38/49/615753849.db2.gz	NHZORUYCOOBGHI-ZCFIWIBFSA-N	-1	2	286.303	0.510	20	0		CCADLM
O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1cc(=O)[nH]cn1	ZINC000898503249	633615471	/nfs/dbraw/zinc/61/54/71/633615471.db2.gz	ILXSUQKCEKNTEC-VIFPVBQESA-N	-1	2	268.292	0.346	20	0		CCADLM
Cc1ncccc1CCNC(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000900310415	633987851	/nfs/dbraw/zinc/98/78/51/633987851.db2.gz	MMAYFHFVSXOHKO-GFCCVEGCSA-N	-1	2	293.323	0.428	20	0		CCADLM
Cn1cnc(CNC(=O)N2CC3CC2(C(=O)[O-])C3)c1	ZINC000900309304	633988001	/nfs/dbraw/zinc/98/80/01/633988001.db2.gz	XOAQTTTXFAIHQH-UHFFFAOYSA-N	-1	2	264.285	0.179	20	0		CCADLM
O=C([O-])N(CC1CC1)C1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1	ZINC000834062878	642545739	/nfs/dbraw/zinc/54/57/39/642545739.db2.gz	OPYIPAYEONWEHV-UHFFFAOYSA-N	-1	2	295.343	0.865	20	0		CCADLM
O=C(NOCCN1CCCC1=O)[C@H]1CCc2[nH+]ccn2C1	ZINC000856039442	644382621	/nfs/dbraw/zinc/38/26/21/644382621.db2.gz	UZYWWSSSIUNPNL-NSHDSACASA-N	-1	2	292.339	0.116	20	0		CCADLM
CNC(=O)c1cc(-c2ccc([P@@](=O)([O-])O)cc2)ccn1	ZINC001241433837	806970005	/nfs/dbraw/zinc/97/00/05/806970005.db2.gz	QXRBRLZJDLQCBP-UHFFFAOYSA-N	-1	2	292.231	0.911	20	0		CCADLM
CNC(=O)c1cc(-c2ccc([P@](=O)([O-])O)cc2)ccn1	ZINC001241433837	806970010	/nfs/dbraw/zinc/97/00/10/806970010.db2.gz	QXRBRLZJDLQCBP-UHFFFAOYSA-N	-1	2	292.231	0.911	20	0		CCADLM
C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC(C)(C)C1	ZINC001220288666	804561196	/nfs/dbraw/zinc/56/11/96/804561196.db2.gz	FLRLSYQYURSYHV-UTLUCORTSA-N	-1	2	280.376	0.401	20	0		CCADLM
O=c1cc(CO)[nH]n1-c1ccccc1S(=O)(=O)[O-]	ZINC001245926028	807099958	/nfs/dbraw/zinc/09/99/58/807099958.db2.gz	PKVCZDSGHNYWRH-UHFFFAOYSA-N	-1	2	270.266	0.317	20	0		CCADLM
O=C([O-])c1cc(S(=O)(=O)Nc2ncco2)ccc1O	ZINC001260393209	808859855	/nfs/dbraw/zinc/85/98/55/808859855.db2.gz	PKWVLCLRAUSHNK-UHFFFAOYSA-N	-1	2	284.249	0.879	20	0		CCADLM
O=C(NCc1nc([O-])cc(=O)[nH]1)c1cccc2c[nH]nc21	ZINC001168430045	816281749	/nfs/dbraw/zinc/28/17/49/816281749.db2.gz	JFCNNUPRUBXEPX-UHFFFAOYSA-N	-1	2	285.263	0.694	20	0		CCADLM
O=C([O-])COc1cccc(C(=O)OCc2n[nH]c(=O)[nH]2)c1	ZINC001595123555	951988100	/nfs/dbraw/zinc/98/81/00/951988100.db2.gz	HTMPXNRRLKEADN-UHFFFAOYSA-N	-1	2	293.235	0.331	20	0		CCADLM
Cc1cnn(C)c1S(=O)(=O)Nc1cncc(C(=O)[O-])c1	ZINC001594434772	959218451	/nfs/dbraw/zinc/21/84/51/959218451.db2.gz	UXBKRSDERXESTJ-UHFFFAOYSA-N	-1	2	296.308	0.623	20	0		CCADLM
C[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1nn(C)cc1O	ZINC001573622425	959520664	/nfs/dbraw/zinc/52/06/64/959520664.db2.gz	KAZGJFKLULWFAV-SSDOTTSWSA-N	-1	2	290.279	0.710	20	0		CCADLM
CC(C)(C)[C@H](C(=O)[O-])C(=O)NOC[C@@H]1CCOC1	ZINC001588634334	959635618	/nfs/dbraw/zinc/63/56/18/959635618.db2.gz	PBGCBHJPFVMIHF-BDAKNGLRSA-N	-1	2	259.302	0.818	20	0		CCADLM
CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC001588802998	961436257	/nfs/dbraw/zinc/43/62/57/961436257.db2.gz	HNWSESJZMTTYRX-DTWKUNHWSA-N	-1	2	296.327	0.573	20	0		CCADLM
COC(=O)c1nscc1NS(=O)(=O)CCC(=O)[O-]	ZINC001599017615	998952465	/nfs/dbraw/zinc/95/24/65/998952465.db2.gz	MXIIEUBNKUXEOI-UHFFFAOYSA-N	-1	2	294.310	0.146	20	0		CCADLM
CCC[C@@H](NS(=O)(=O)NCC(F)(F)F)C(=O)[O-]	ZINC000126289950	136829558	/nfs/dbraw/zinc/82/95/58/136829558.db2.gz	GZDKTONSUZLDSA-RXMQYKEDSA-N	-1	2	278.252	0.226	20	0		CCADLM
Cc1cc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)nn1C	ZINC000311919182	137075903	/nfs/dbraw/zinc/07/59/03/137075903.db2.gz	GGUIMPOMNKMWQP-UHFFFAOYSA-N	-1	2	284.297	0.556	20	0		CCADLM
COc1ncccc1NC(=O)NCc1n[n-]c(=N)o1	ZINC000346636626	137296358	/nfs/dbraw/zinc/29/63/58/137296358.db2.gz	CFKJYBNLOXLIKH-UHFFFAOYSA-N	-1	2	264.245	0.207	20	0		CCADLM
COc1ccc(=NC(=O)NC[C@@H]2CCC[C@H]2OC)[n-]n1	ZINC000346641623	137296513	/nfs/dbraw/zinc/29/65/13/137296513.db2.gz	WCXUGGQLCBTPQF-VHSXEESVSA-N	-1	2	280.328	0.844	20	0		CCADLM
COCC1CCN(C(=O)N=c2ccc(OC)n[n-]2)CC1	ZINC000346679099	137299173	/nfs/dbraw/zinc/29/91/73/137299173.db2.gz	YXCAWQAXAYBIAM-UHFFFAOYSA-N	-1	2	280.328	0.797	20	0		CCADLM
CC[N@H+](CC(=O)N(C)C[C@H](C)c1nn[nH]n1)C1CC1	ZINC000124608672	350102702	/nfs/dbraw/zinc/10/27/02/350102702.db2.gz	AJTACVQMHNJNQF-VIFPVBQESA-N	-1	2	266.349	0.246	20	0		CCADLM
CC[N@@H+](CC(=O)N(C)C[C@H](C)c1nn[nH]n1)C1CC1	ZINC000124608672	350102705	/nfs/dbraw/zinc/10/27/05/350102705.db2.gz	AJTACVQMHNJNQF-VIFPVBQESA-N	-1	2	266.349	0.246	20	0		CCADLM
O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cn[nH]n1	ZINC000531681228	358477637	/nfs/dbraw/zinc/47/76/37/358477637.db2.gz	ZULUCUYMCQNTDA-CMPLNLGQSA-N	-1	2	279.344	0.178	20	0		CCADLM
O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cnn[nH]1	ZINC000531681228	358477638	/nfs/dbraw/zinc/47/76/38/358477638.db2.gz	ZULUCUYMCQNTDA-CMPLNLGQSA-N	-1	2	279.344	0.178	20	0		CCADLM
CC[C@H](C)CONC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000293642484	353826529	/nfs/dbraw/zinc/82/65/29/353826529.db2.gz	GHFZXIPZXWBMFA-LURJTMIESA-N	-1	2	260.319	0.284	20	0		CCADLM
O=C1NC(=O)N2CC[N@H+](C/C=C/c3ccccc3)C[C@H]12	ZINC000335809081	355017798	/nfs/dbraw/zinc/01/77/98/355017798.db2.gz	FUYQUWYOLNZLFB-WXJAXGNASA-N	-1	2	271.320	0.936	20	0		CCADLM
Cc1cc(=NC(=O)NC[C@H]2CCC[N@@H+](C)C2)[nH]nc1C	ZINC000532324462	358505390	/nfs/dbraw/zinc/50/53/90/358505390.db2.gz	TZSXNJXUZBQOJC-GFCCVEGCSA-N	-1	2	277.372	0.979	20	0		CCADLM
O=C(C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1)N1CCCCC1	ZINC000408011393	357865908	/nfs/dbraw/zinc/86/59/08/357865908.db2.gz	WOCSDPNGWFQHPZ-NSHDSACASA-N	-1	2	294.355	0.967	20	0		CCADLM
CN=c1[nH]nc(CC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)s1	ZINC000582356315	359136813	/nfs/dbraw/zinc/13/68/13/359136813.db2.gz	MYWCQMHSIWUEGF-VHSXEESVSA-N	-1	2	295.412	0.097	20	0		CCADLM
C[C@@H]1CN(C(=O)N=c2cccn[nH]2)CC[C@@H]1C(=O)[O-]	ZINC000630564117	370172794	/nfs/dbraw/zinc/17/27/94/370172794.db2.gz	YDJWLKQNLWAPEE-BDAKNGLRSA-N	-1	2	264.285	0.473	20	0		CCADLM
C[C@H]1CN(C(=O)c2c(O)cccc2O)CC[N@H+]1CCO	ZINC000189618539	388965745	/nfs/dbraw/zinc/96/57/45/388965745.db2.gz	PNWUFBKFZCKNBN-JTQLQIEISA-N	-1	2	280.324	0.236	20	0		CCADLM
COc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1C	ZINC000355314191	389059079	/nfs/dbraw/zinc/05/90/79/389059079.db2.gz	UYGKOGUXKANYLZ-LBPRGKRZSA-N	-1	2	289.335	0.740	20	0		CCADLM
O=C([O-])[C@@H](CC1CC1)NS(=O)(=O)CC(F)(F)F	ZINC000583261277	390277582	/nfs/dbraw/zinc/27/75/82/390277582.db2.gz	JJHPLHAHBYILRS-ZCFIWIBFSA-N	-1	2	275.248	0.721	20	0		CCADLM
CN(C)c1[nH+]cc(C[NH2+]C2(c3nnn[n-]3)CCCC2)n1C	ZINC000567162048	390675898	/nfs/dbraw/zinc/67/58/98/390675898.db2.gz	GHKVXODOTNEHHA-UHFFFAOYSA-N	-1	2	290.375	0.558	20	0		CCADLM
Cn1cc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1	ZINC000357014205	144051309	/nfs/dbraw/zinc/05/13/09/144051309.db2.gz	AQQUNFNOPVBGIZ-UHFFFAOYSA-N	-1	2	295.320	0.848	20	0		CCADLM
Cc1nc(=N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)s[nH]1	ZINC000416446466	302546979	/nfs/dbraw/zinc/54/69/79/302546979.db2.gz	PIMOPQZRFFGQFE-BDAKNGLRSA-N	-1	2	298.368	0.390	20	0		CCADLM
CO[C@@H](CNS(=O)(=O)[C@H](C)C(F)(F)F)CC(=O)[O-]	ZINC000530542071	545101872	/nfs/dbraw/zinc/10/18/72/545101872.db2.gz	AAVJJIRFSPUEHM-PHDIDXHHSA-N	-1	2	293.263	0.346	20	0		CCADLM
O=C([N-]OCCO)C1=NN(c2ccccc2F)CC1=O	ZINC000787293028	581465451	/nfs/dbraw/zinc/46/54/51/581465451.db2.gz	JQWQCIBOJVGHNX-UHFFFAOYSA-N	-1	2	281.243	0.371	20	0		CCADLM
Cc1ccc2c(n1)[nH]cc(C(=O)N[C@@H](C)C(=O)[O-])c2=O	ZINC000738664584	582069471	/nfs/dbraw/zinc/06/94/71/582069471.db2.gz	GYQKVEVIIJXPCK-ZETCQYMHSA-N	-1	2	275.264	0.847	20	0		CCADLM
O=C([O-])Cc1cccc(NC(=O)NCc2n[nH]c(=O)[nH]2)c1	ZINC000392306306	597133710	/nfs/dbraw/zinc/13/37/10/597133710.db2.gz	CEXLMTVTNCVCKM-UHFFFAOYSA-N	-1	2	291.267	0.459	20	0		CCADLM
O=C([O-])Cc1csc(NS(=O)(=O)c2cccnc2)n1	ZINC000019484033	599913161	/nfs/dbraw/zinc/91/31/61/599913161.db2.gz	WHGBOISQBZGXEZ-UHFFFAOYSA-N	-1	2	299.333	0.966	20	0		CCADLM
Cn1cc(S(=O)(=O)Nc2csnc2C(=O)[O-])cn1	ZINC000833055837	601603433	/nfs/dbraw/zinc/60/34/33/601603433.db2.gz	PGAHEFBREHWKDZ-UHFFFAOYSA-N	-1	2	288.310	0.376	20	0		CCADLM
O=C([O-])c1cncc(NS(=O)(=O)c2cccnc2)c1	ZINC000062946985	604337829	/nfs/dbraw/zinc/33/78/29/604337829.db2.gz	XUSPELKFPUNEGJ-UHFFFAOYSA-N	-1	2	279.277	0.976	20	0		CCADLM
CC(C)C[C@H](NC(=O)C[C@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC000817863282	614219544	/nfs/dbraw/zinc/21/95/44/614219544.db2.gz	CGTDNKOFGWWEQC-NKWVEPMBSA-N	-1	2	287.341	0.158	20	0		CCADLM
CN(C(=O)[C@@H]1CC[N@@H+]1C1CCCC1)c1nn[nH]n1	ZINC000912616376	615858560	/nfs/dbraw/zinc/85/85/60/615858560.db2.gz	DSKVADVYVUJINU-VIFPVBQESA-N	-1	2	250.306	0.179	20	0		CCADLM
CN(C(=O)[C@@H]1CC[N@H+]1C1CCCC1)c1nn[nH]n1	ZINC000912616376	615858561	/nfs/dbraw/zinc/85/85/61/615858561.db2.gz	DSKVADVYVUJINU-VIFPVBQESA-N	-1	2	250.306	0.179	20	0		CCADLM
O=C([O-])CCCCC(=O)NCCCc1n[nH]c(=O)[nH]1	ZINC001261559205	809020554	/nfs/dbraw/zinc/02/05/54/809020554.db2.gz	DSWSLYVLRQELBZ-UHFFFAOYSA-N	-1	2	270.289	0.204	20	0		CCADLM
Cc1n[nH]c(NC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)n1	ZINC000740224471	820211555	/nfs/dbraw/zinc/21/15/55/820211555.db2.gz	ZYHPOKYMEIAJJA-SFYZADRCSA-N	-1	2	267.289	0.878	20	0		CCADLM
Cc1n[nH]c(NC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)n1	ZINC000740224477	820212278	/nfs/dbraw/zinc/21/22/78/820212278.db2.gz	ZYHPOKYMEIAJJA-YUMQZZPRSA-N	-1	2	267.289	0.878	20	0		CCADLM
O=c1[nH]cnc([O-])c1NS(=O)(=O)c1nccs1	ZINC001187861349	844785552	/nfs/dbraw/zinc/78/55/52/844785552.db2.gz	WDDMEUOLCZCXRC-UHFFFAOYSA-N	-1	2	274.283	0.145	20	0		CCADLM
CCC(=O)NC[C@@H](CC)[NH2+]Cc1cc(=O)n2[nH]ccc2n1	ZINC001481780800	893147621	/nfs/dbraw/zinc/14/76/21/893147621.db2.gz	MYVRLQSPVCNFFH-SNVBAGLBSA-N	-1	2	291.355	0.417	20	0		CCADLM
O=C([O-])[C@H](C(=O)NCCc1n[nH]c(=S)o1)C1CC1	ZINC001594833742	954008313	/nfs/dbraw/zinc/00/83/13/954008313.db2.gz	GHTBDOVJYIWEFM-ZETCQYMHSA-N	-1	2	271.298	0.128	20	0		CCADLM
O=C([O-])[C@H](C(=O)NOC[C@H]1CCOC1)C1CCCC1	ZINC001594835385	954023152	/nfs/dbraw/zinc/02/31/52/954023152.db2.gz	GYFGDSLMHSGFSP-ONGXEEELSA-N	-1	2	271.313	0.962	20	0		CCADLM
C[C@@H]1CN(C(=O)C[C@@H]2SC(=N)NC2=O)CC[C@H]1C(=O)[O-]	ZINC001589373595	954227762	/nfs/dbraw/zinc/22/77/62/954227762.db2.gz	VOZDYGJRQNJNPS-PRJMDXOYSA-N	-1	2	299.352	0.112	20	0		CCADLM
CCCN(C(=O)C[C@@H]1SC(=N)NC1=O)[C@@H](C)C(=O)[O-]	ZINC001571030555	960488682	/nfs/dbraw/zinc/48/86/82/960488682.db2.gz	KCQPSRVVSGXUMZ-BQBZGAKWSA-N	-1	2	287.341	0.255	20	0		CCADLM
C[C@@H](CC(=O)[O-])C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1	ZINC001592342245	977797330	/nfs/dbraw/zinc/79/73/30/977797330.db2.gz	WTTVWPVAIUPDGD-ZETCQYMHSA-N	-1	2	282.300	0.327	20	0		CCADLM
O=C([O-])CNS(=O)(=O)c1onc(C2CC2)c1Cl	ZINC001574892938	983287214	/nfs/dbraw/zinc/28/72/14/983287214.db2.gz	MYNFBAKYGLKYQO-UHFFFAOYSA-N	-1	2	280.689	0.568	20	0		CCADLM
CSc1n[nH]c(NC(=O)c2cc(C(=O)[O-])no2)n1	ZINC001599829326	988646572	/nfs/dbraw/zinc/64/65/72/988646572.db2.gz	UFZZQIJJRGSKFC-UHFFFAOYSA-N	-1	2	269.242	0.465	20	0		CCADLM
C[C@@H](OC(=O)C(C)(C)NC(=O)C(F)(F)F)C(=O)C(=O)[O-]	ZINC001593485294	995447607	/nfs/dbraw/zinc/44/76/07/995447607.db2.gz	QJSZWXIOXQBWMH-SCSAIBSYSA-N	-1	2	299.201	0.029	20	0		CCADLM
Cn1cc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cn1	ZINC000035737943	388837089	/nfs/dbraw/zinc/83/70/89/388837089.db2.gz	QQHPJLOVXXMJFB-UHFFFAOYSA-N	-1	2	295.320	0.848	20	0		CCADLM
O=C(N=c1[n-]ncs1)N1CCC(c2n[nH]c(=O)[nH]2)CC1	ZINC000551897263	286133639	/nfs/dbraw/zinc/13/36/39/286133639.db2.gz	OIDRJOVJCLSZET-UHFFFAOYSA-N	-1	2	295.328	0.195	20	0		CCADLM
Cc1cc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n(C)n1	ZINC000020213516	171075863	/nfs/dbraw/zinc/07/58/63/171075863.db2.gz	HUVWDMWVVXNTDY-UHFFFAOYSA-N	-1	2	284.297	0.556	20	0		CCADLM
CC(C)[C@@H](CNC(=O)N=c1ncn(C(C)(C)C)[nH]1)C(=O)[O-]	ZINC000653542250	412314529	/nfs/dbraw/zinc/31/45/29/412314529.db2.gz	LINQFVJIOQMRTM-SECBINFHSA-N	-1	2	297.359	0.933	20	0		CCADLM
O=C([O-])Cn1cc(NS(=O)(=O)c2ccccc2)cn1	ZINC000038030491	174022288	/nfs/dbraw/zinc/02/22/88/174022288.db2.gz	SXRMXYJUBPBGMD-UHFFFAOYSA-N	-1	2	281.293	0.769	20	0		CCADLM
O=c1[nH]nc(CN=c2[n-]nc(C(F)(F)F)s2)[nH]1	ZINC000392668366	545087470	/nfs/dbraw/zinc/08/74/70/545087470.db2.gz	XLQIHBYSYBLXPG-UHFFFAOYSA-N	-1	2	266.208	0.415	20	0		CCADLM
O=C(C[NH2+]C[C@@H]1CCCO1)N=c1cc([C@@H]2CCCO2)[nH][nH]1	ZINC000577176234	335316152	/nfs/dbraw/zinc/31/61/52/335316152.db2.gz	QGOBIRNSUWWWKB-JQWIXIFHSA-N	-1	2	294.355	0.390	20	0		CCADLM
CCC(CC)(CNC(=O)N=c1nc(C)n(C)[nH]1)C(=O)[O-]	ZINC000424392428	528672878	/nfs/dbraw/zinc/67/28/78/528672878.db2.gz	TUGOWOZWKMTIEG-UHFFFAOYSA-N	-1	2	283.332	0.558	20	0		CCADLM
Cc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1O	ZINC000676700025	545348979	/nfs/dbraw/zinc/34/89/79/545348979.db2.gz	ZVVLGJOYHKNUOZ-PSASIEDQSA-N	-1	2	266.345	0.836	20	0		CCADLM
O=C([O-])N1CC(NC(=O)c2c(O)cc(F)cc2F)C1	ZINC000831610702	604771735	/nfs/dbraw/zinc/77/17/35/604771735.db2.gz	QJDHXZINVFPKFA-UHFFFAOYSA-N	-1	2	272.207	0.762	20	0		CCADLM
Cc1n[nH]c(NC(=O)CC[C@@H]2CCCN2C(=O)[O-])n1	ZINC000833913652	605455689	/nfs/dbraw/zinc/45/56/89/605455689.db2.gz	IBXSZJXFDWEPOX-QMMMGPOBSA-N	-1	2	267.289	0.974	20	0		CCADLM
O=C([O-])N1CCCN1C(=O)c1ccc2[nH]nnc2c1	ZINC000834112317	605984319	/nfs/dbraw/zinc/98/43/19/605984319.db2.gz	SJYYLKZLFNUWFB-UHFFFAOYSA-N	-1	2	261.241	0.699	20	0		CCADLM
O=C([O-])N[C@@H](CC(F)F)C(=O)OCCc1cnn[nH]1	ZINC000834137726	606090050	/nfs/dbraw/zinc/09/00/50/606090050.db2.gz	NRSPTTCOQLTGJV-LURJTMIESA-N	-1	2	278.215	0.182	20	0		CCADLM
O=C(NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(Cl)cc1[O-]	ZINC000048737534	631776173	/nfs/dbraw/zinc/77/61/73/631776173.db2.gz	OAJYKXYDLSGVAZ-HTQZYQBOSA-N	-1	2	299.670	0.472	20	0		CCADLM
COC(=O)[C@@H]1C[C@@H](Oc2ccnc(=S)[nH]2)C[N@@H+]1C	ZINC001226939071	805298241	/nfs/dbraw/zinc/29/82/41/805298241.db2.gz	GNJGGXYAYXWXNX-SFYZADRCSA-N	-1	2	269.326	0.390	20	0		CCADLM
COC(=O)CS(=O)(=O)[N-]c1c(O)cc(F)cc1F	ZINC001259024067	808721501	/nfs/dbraw/zinc/72/15/01/808721501.db2.gz	BFDUQYGMEHQTTG-UHFFFAOYSA-N	-1	2	281.236	0.585	20	0		CCADLM
COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)c1c(C)cccc1O	ZINC001188649399	844931416	/nfs/dbraw/zinc/93/14/16/844931416.db2.gz	YUSFDLBQGNIVGW-NSHDSACASA-N	-1	2	292.335	0.630	20	0		CCADLM
Cn1nccc1NS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001198738947	847155750	/nfs/dbraw/zinc/15/57/50/847155750.db2.gz	IOOAHELOGFJYCO-UHFFFAOYSA-N	-1	2	281.293	0.919	20	0		CCADLM
CCC(CC)(C(=O)[O-])C(=O)NCCc1n[nH]c(=S)o1	ZINC001589473770	954939246	/nfs/dbraw/zinc/93/92/46/954939246.db2.gz	AGBNCTVUSLHDRA-UHFFFAOYSA-N	-1	2	287.341	0.908	20	0		CCADLM
C[C@H](CNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1)C(=O)[O-]	ZINC001589049370	955642178	/nfs/dbraw/zinc/64/21/78/955642178.db2.gz	NDXQRIOXYNMIRF-HTQZYQBOSA-N	-1	2	297.315	0.120	20	0		CCADLM
CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC001588803000	961435697	/nfs/dbraw/zinc/43/56/97/961435697.db2.gz	HNWSESJZMTTYRX-RKDXNWHRSA-N	-1	2	296.327	0.573	20	0		CCADLM
CC(C)[C@@H](C(=O)[O-])C(=O)NOCCN1CCCC1=O	ZINC001588807628	961482086	/nfs/dbraw/zinc/48/20/86/961482086.db2.gz	CVTGRCYLTXZENS-SNVBAGLBSA-N	-1	2	272.301	0.013	20	0		CCADLM
COC[C@](C)(NC(=O)C(F)C(F)(F)F)C(=O)[O-]	ZINC001599152274	998314197	/nfs/dbraw/zinc/31/41/97/998314197.db2.gz	ZVROOZCQMMBDBW-FFWSUHOLSA-N	-1	2	261.171	0.493	20	0		CCADLM
COC[C@](C)(NC(=O)[C@H](F)C(F)(F)F)C(=O)[O-]	ZINC001599152274	998314208	/nfs/dbraw/zinc/31/42/08/998314208.db2.gz	ZVROOZCQMMBDBW-FFWSUHOLSA-N	-1	2	261.171	0.493	20	0		CCADLM
O=C([O-])CCCCCNS(=O)(=O)NCC(F)(F)F	ZINC000126206210	136829297	/nfs/dbraw/zinc/82/92/97/136829297.db2.gz	MOXKUHJDMDPINR-UHFFFAOYSA-N	-1	2	292.279	0.618	20	0		CCADLM
O=C([O-])c1ccc(S(=O)(=O)Nc2cncnc2)cc1	ZINC000231773597	136962059	/nfs/dbraw/zinc/96/20/59/136962059.db2.gz	QNZBTTSYJCUAJM-UHFFFAOYSA-N	-1	2	279.277	0.976	20	0		CCADLM
CC[NH+](CC)CC(=O)NC1(c2nn[nH]n2)CCCC1	ZINC000346351405	137280303	/nfs/dbraw/zinc/28/03/03/137280303.db2.gz	NYZRCGKZPPXGNH-UHFFFAOYSA-N	-1	2	266.349	0.427	20	0		CCADLM
C[C@H](CNS(=O)(=O)c1ccccn1)C[NH+]1CCOCC1	ZINC000132343076	350304580	/nfs/dbraw/zinc/30/45/80/350304580.db2.gz	VGMOIVXBAONGSU-GFCCVEGCSA-N	-1	2	299.396	0.328	20	0		CCADLM
O=C1NC(=O)N2CC[N@H+](C/C=C/c3ccccc3)C[C@@H]12	ZINC000335809080	355017860	/nfs/dbraw/zinc/01/78/60/355017860.db2.gz	FUYQUWYOLNZLFB-LVDDQXARSA-N	-1	2	271.320	0.936	20	0		CCADLM
CCn1cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cn1	ZINC000329553530	202380206	/nfs/dbraw/zinc/38/02/06/202380206.db2.gz	GKIXLPYOFICOOZ-SNVBAGLBSA-N	-1	2	263.301	0.479	20	0		CCADLM
Cc1o[nH]c(=N)c1S(=O)(=O)N(C)[C@H]1CCC[N@@H+](C)C1	ZINC000333501598	205380615	/nfs/dbraw/zinc/38/06/15/205380615.db2.gz	WFXRCRSGYSVUOP-VIFPVBQESA-N	-1	2	288.373	0.110	20	0		CCADLM
COCCc1nsc(N[C@H]2CC[C@@H](C(=O)[O-])C2)n1	ZINC000649406037	390623379	/nfs/dbraw/zinc/62/33/79/390623379.db2.gz	BOHMPVXGLCXPQT-SFYZADRCSA-N	-1	2	271.342	0.814	20	0		CCADLM
C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2cccc3[nH]nnc32)CC1=O	ZINC000526115394	390677343	/nfs/dbraw/zinc/67/73/43/390677343.db2.gz	ADYMAOKPKJPFJR-PTRXPTGYSA-N	-1	2	299.334	0.697	20	0		CCADLM
O=C([O-])c1ccc[nH+]c1N[C@@H]1C[C@H](C(=O)[O-])C[C@@H]1O	ZINC000662895676	414875226	/nfs/dbraw/zinc/87/52/26/414875226.db2.gz	FUUAINSSADLJFJ-ZQARSLAVSA-N	-1	2	266.253	0.416	20	0		CCADLM
C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCNC(=O)C1	ZINC000736197918	581713518	/nfs/dbraw/zinc/71/35/18/581713518.db2.gz	DRENEZHDVQCCDV-VIFPVBQESA-N	-1	2	272.312	0.360	20	0		CCADLM
NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(-c2nn[nH]n2)o1	ZINC000826390106	608501318	/nfs/dbraw/zinc/50/13/18/608501318.db2.gz	QDHYWUZEQPXGIV-SECBINFHSA-N	-1	2	276.300	0.300	20	0		CCADLM
O=C([O-])c1cccc(C(=O)NCCCc2n[nH]c(=O)[nH]2)c1	ZINC000821548375	600834668	/nfs/dbraw/zinc/83/46/68/600834668.db2.gz	NPKVAUIXQODKSV-UHFFFAOYSA-N	-1	2	290.279	0.571	20	0		CCADLM
O=C([O-])[C@H]1CCC[C@@H](C(=O)NCc2n[nH]c(=O)[nH]2)C1	ZINC000392430907	601212361	/nfs/dbraw/zinc/21/23/61/601212361.db2.gz	USTGXUITIMGGEM-RQJHMYQMSA-N	-1	2	268.273	0.018	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N2CCN(C(=O)[O-])C[C@H]2C)n1	ZINC000830678873	603573759	/nfs/dbraw/zinc/57/37/59/603573759.db2.gz	RPLVSWTWFUNIKH-SSDOTTSWSA-N	-1	2	299.356	0.416	20	0		CCADLM
O=C([O-])Nc1ccccc1C(=O)NCc1n[nH]c(=O)[nH]1	ZINC000833287412	605704828	/nfs/dbraw/zinc/70/48/28/605704828.db2.gz	HBSIRZVXAKMCPF-UHFFFAOYSA-N	-1	2	277.240	0.530	20	0		CCADLM
NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)o1	ZINC000826390106	608501317	/nfs/dbraw/zinc/50/13/17/608501317.db2.gz	QDHYWUZEQPXGIV-SECBINFHSA-N	-1	2	276.300	0.300	20	0		CCADLM
CC(C)OCCONC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000812806639	614018669	/nfs/dbraw/zinc/01/86/69/614018669.db2.gz	KBQMVWTYJAXYOP-UHFFFAOYSA-N	-1	2	276.318	0.075	20	0		CCADLM
CC[C@H](C)[C@H](NC(=O)C[C@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC000820432339	615692824	/nfs/dbraw/zinc/69/28/24/615692824.db2.gz	NWRBLVHPJIYEJK-BBVRLYRLSA-N	-1	2	287.341	0.158	20	0		CCADLM
O=C([O-])[C@@H]1CSCCN1C(=O)NC/C=C/Cl	ZINC000900311059	633988113	/nfs/dbraw/zinc/98/81/13/633988113.db2.gz	QOAJYNCTRTVWBE-HIXXPVPXSA-N	-1	2	264.734	0.951	20	0		CCADLM
O=C([O-])CC[C@@H]1C[C@H](C(=O)NO[C@@H]2CCCCO2)CO1	ZINC000901981539	634295586	/nfs/dbraw/zinc/29/55/86/634295586.db2.gz	DTLUVGHUMJBVEP-HOSYDEDBSA-N	-1	2	287.312	0.831	20	0		CCADLM
COc1ccc(C[N@H+](C)C[C@H](O)CO)c(Cl)c1O	ZINC001233398669	806055009	/nfs/dbraw/zinc/05/50/09/806055009.db2.gz	URGSDBUFESPRPY-VIFPVBQESA-N	-1	2	275.732	0.839	20	0		CCADLM
O=C(c1c[nH]c2ncccc12)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001153002869	800579940	/nfs/dbraw/zinc/57/99/40/800579940.db2.gz	XWHIAODVJNWIGN-MRVPVSSYSA-N	-1	2	283.295	0.706	20	0		CCADLM
O=C(c1c[nH]c2ncccc12)N1CC[C@@H](c2nn[n-]n2)C1	ZINC001153002869	800579943	/nfs/dbraw/zinc/57/99/43/800579943.db2.gz	XWHIAODVJNWIGN-MRVPVSSYSA-N	-1	2	283.295	0.706	20	0		CCADLM
Cn1cc(-c2ccc([P@@](=O)([O-])O)cc2)ccc1=O	ZINC001240334558	818234708	/nfs/dbraw/zinc/23/47/08/818234708.db2.gz	LFYRRBCYHMMHRQ-UHFFFAOYSA-N	-1	2	265.205	0.855	20	0		CCADLM
Cn1cc(-c2ccc([P@](=O)([O-])O)cc2)ccc1=O	ZINC001240334558	818234713	/nfs/dbraw/zinc/23/47/13/818234713.db2.gz	LFYRRBCYHMMHRQ-UHFFFAOYSA-N	-1	2	265.205	0.855	20	0		CCADLM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nnco1	ZINC001185869314	844470589	/nfs/dbraw/zinc/47/05/89/844470589.db2.gz	XXACLGZBEHYILM-UHFFFAOYSA-N	-1	2	283.265	0.877	20	0		CCADLM
CCOC(=O)CS(=O)(=O)[N-]c1c(O)cc(F)cc1F	ZINC001195967519	846656873	/nfs/dbraw/zinc/65/68/73/846656873.db2.gz	HJSLIBKNNFDVTL-UHFFFAOYSA-N	-1	2	295.263	0.975	20	0		CCADLM
O=C(CCCc1nn[nH]n1)NCc1ccc2[nH]cnc2c1	ZINC001298226586	907191857	/nfs/dbraw/zinc/19/18/57/907191857.db2.gz	NYHPJGAXGDSZNL-UHFFFAOYSA-N	-1	2	285.311	0.715	20	0		CCADLM
O=C(CCCc1nn[nH]n1)NCc1ccc2nc[nH]c2c1	ZINC001298226586	907191871	/nfs/dbraw/zinc/19/18/71/907191871.db2.gz	NYHPJGAXGDSZNL-UHFFFAOYSA-N	-1	2	285.311	0.715	20	0		CCADLM
O=C([O-])c1ccc(C(=O)NCCc2n[nH]c(=S)o2)nc1	ZINC001595220624	949235755	/nfs/dbraw/zinc/23/57/55/949235755.db2.gz	XDRBUIQDPFTZDJ-UHFFFAOYSA-N	-1	2	294.292	0.424	20	0		CCADLM
CC(C)(C)[C@H](C(=O)[O-])C(=O)NCCc1n[nH]c(=S)o1	ZINC001602852579	971690846	/nfs/dbraw/zinc/69/08/46/971690846.db2.gz	MLMJPIZZWHIYKC-ZETCQYMHSA-N	-1	2	287.341	0.764	20	0		CCADLM
C[C@H](C(=O)[O-])N(C(=O)CCc1ncn[nH]1)C1CCC1	ZINC001589471857	986964632	/nfs/dbraw/zinc/96/46/32/986964632.db2.gz	LDTMSZDXXMFZTO-MRVPVSSYSA-N	-1	2	266.301	0.592	20	0		CCADLM
N=c1[n-]nc(CCNC(=O)Nc2ccc(F)cc2)o1	ZINC000346636633	137296385	/nfs/dbraw/zinc/29/63/85/137296385.db2.gz	CHFYSEOEFJQDPT-UHFFFAOYSA-N	-1	2	265.248	0.985	20	0		CCADLM
O=C(NCc1n[nH]c(=O)[nH]1)c1cc(F)c(F)c([O-])c1F	ZINC000349207994	137390000	/nfs/dbraw/zinc/39/00/00/137390000.db2.gz	ZLVIHKZQUPWOPK-UHFFFAOYSA-N	-1	2	288.185	0.563	20	0		CCADLM
COCCS(=O)(=O)[N-]c1cc(C(C)=O)ccc1O	ZINC000273484947	192169956	/nfs/dbraw/zinc/16/99/56/192169956.db2.gz	UNGWCDRYTSLUBT-UHFFFAOYSA-N	-1	2	273.310	0.983	20	0		CCADLM
O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)c1cccc2[nH]nnc21	ZINC000558723302	291070755	/nfs/dbraw/zinc/07/07/55/291070755.db2.gz	URCKWFDOAMAFHO-VXGBXAGGSA-N	-1	2	299.334	0.841	20	0		CCADLM
O=c1[nH]nc(CCCN=c2[n-]c(C3CCC3)no2)[nH]1	ZINC000450367721	236083404	/nfs/dbraw/zinc/08/34/04/236083404.db2.gz	ZAMBSIXOHYWZDU-UHFFFAOYSA-N	-1	2	264.289	0.627	20	0		CCADLM
O=c1[nH]nc(CCCN=c2nc(C3CCC3)[n-]o2)[nH]1	ZINC000450367721	236083405	/nfs/dbraw/zinc/08/34/05/236083405.db2.gz	ZAMBSIXOHYWZDU-UHFFFAOYSA-N	-1	2	264.289	0.627	20	0		CCADLM
Cn1ncc2c1nc(C[N@@H+](C)C[C@H]1CCCO1)[nH]c2=O	ZINC000590295090	359435837	/nfs/dbraw/zinc/43/58/37/359435837.db2.gz	MJRLULSSHZPVRP-SECBINFHSA-N	-1	2	277.328	0.680	20	0		CCADLM
Cc1ccncc1C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1	ZINC000329312525	202276461	/nfs/dbraw/zinc/27/64/61/202276461.db2.gz	AOJMTRYAZBFQOM-NSHDSACASA-N	-1	2	260.297	0.966	20	0		CCADLM
CCc1nsc(NC[C@]2(C(=O)[O-])CCCOC2)n1	ZINC000630464594	370126350	/nfs/dbraw/zinc/12/63/50/370126350.db2.gz	YJSVZLMDOXILBS-LLVKDONJSA-N	-1	2	271.342	0.816	20	0		CCADLM
CC(C)[C@@](C)(NC(=O)c1cccc2[nH]nnc21)C(N)=O	ZINC000516962194	249193291	/nfs/dbraw/zinc/19/32/91/249193291.db2.gz	SBQBKZDFNUJKJY-CYBMUJFWSA-N	-1	2	275.312	0.588	20	0		CCADLM
C[C@](O)(CNC(=O)c1cc(F)c(O)c(F)c1)C(=O)[O-]	ZINC000517029677	249199676	/nfs/dbraw/zinc/19/96/76/249199676.db2.gz	AOQAPUSPMOOZHU-NSHDSACASA-N	-1	2	275.207	0.236	20	0		CCADLM
CCOC(=O)c1cc(=NC(=O)c2ncccc2O)[nH][n-]1	ZINC000572071091	291856406	/nfs/dbraw/zinc/85/64/06/291856406.db2.gz	BCJIYWIJBVCBRJ-UHFFFAOYSA-N	-1	2	276.252	0.361	20	0		CCADLM
Cn1nccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1	ZINC000135799004	389262672	/nfs/dbraw/zinc/26/26/72/389262672.db2.gz	CDCCTLFMZZKZCM-UHFFFAOYSA-N	-1	2	297.292	0.625	20	0		CCADLM
COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(=O)n2[nH]ccc2n1	ZINC000179143116	389640491	/nfs/dbraw/zinc/64/04/91/389640491.db2.gz	GGEYXOXOFFCMIH-LLVKDONJSA-N	-1	2	290.323	0.550	20	0		CCADLM
CC1(C(=O)[O-])CCN(C(=O)N=c2cccn[nH]2)CC1	ZINC000647697441	390139942	/nfs/dbraw/zinc/13/99/42/390139942.db2.gz	JVPWALZIXRGDLT-UHFFFAOYSA-N	-1	2	264.285	0.617	20	0		CCADLM
Cc1nc(=NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)[nH]n1C	ZINC000647703101	390140768	/nfs/dbraw/zinc/14/07/68/390140768.db2.gz	NVKGBFOQSRUNPD-CBAPKCEASA-N	-1	2	281.316	0.120	20	0		CCADLM
COc1ccccc1[C@@H](CNC(=O)c1cn[nH]n1)[NH+](C)C	ZINC000341727266	130000940	/nfs/dbraw/zinc/00/09/40/130000940.db2.gz	NGXBISOEDDJJFC-GFCCVEGCSA-N	-1	2	289.339	0.846	20	0		CCADLM
COc1ccccc1[C@@H](CNC(=O)c1cnn[nH]1)[NH+](C)C	ZINC000341727266	130000943	/nfs/dbraw/zinc/00/09/43/130000943.db2.gz	NGXBISOEDDJJFC-GFCCVEGCSA-N	-1	2	289.339	0.846	20	0		CCADLM
Cc1nc(=NC(=O)NC[C@H](C(=O)[O-])C(C)C)[nH]n1C	ZINC000653546036	412313717	/nfs/dbraw/zinc/31/37/17/412313717.db2.gz	VTHVOFUFRHYNLE-QMMMGPOBSA-N	-1	2	269.305	0.024	20	0		CCADLM
O=C([O-])[C@H](C(=O)NCc1n[nH]c(=O)[nH]1)C1CCCC1	ZINC000663093265	414980990	/nfs/dbraw/zinc/98/09/90/414980990.db2.gz	WJJXDGQJCQLPOM-QMMMGPOBSA-N	-1	2	268.273	0.018	20	0		CCADLM
Cn1ccc(S(=O)(=O)Nc2ccsc2C(=O)[O-])n1	ZINC000739038380	581138892	/nfs/dbraw/zinc/13/88/92/581138892.db2.gz	FSWLUYCYRQEPAL-UHFFFAOYSA-N	-1	2	287.322	0.981	20	0		CCADLM
O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1	ZINC000739553374	581570317	/nfs/dbraw/zinc/57/03/17/581570317.db2.gz	OYDWLGNGZZPKTR-IUCAKERBSA-N	-1	2	289.247	0.689	20	0		CCADLM
Cc1[nH]nc(S(=O)(=O)Nc2nccs2)c1C(=O)[O-]	ZINC000738335352	582037386	/nfs/dbraw/zinc/03/73/86/582037386.db2.gz	NZUJTRSORJIHKM-UHFFFAOYSA-N	-1	2	288.310	0.674	20	0		CCADLM
O[C@@H](CNc1[nH+]c2c(cc1-c1nn[nH]n1)CCC2)C1CC1	ZINC000738383078	582042267	/nfs/dbraw/zinc/04/22/67/582042267.db2.gz	NVEZVVBWZZBKMZ-LBPRGKRZSA-N	-1	2	286.339	0.933	20	0		CCADLM
Cc1ccc([C@H](CNC(=O)C2=NNC(=O)C2)C(=O)[O-])cc1	ZINC000738554581	582062371	/nfs/dbraw/zinc/06/23/71/582062371.db2.gz	PIEXFGZHPLTHMB-JTQLQIEISA-N	-1	2	289.291	0.155	20	0		CCADLM
O=C([O-])c1cccc(C(=O)OCc2n[nH]c(=O)[nH]2)c1	ZINC000821549390	598172759	/nfs/dbraw/zinc/17/27/59/598172759.db2.gz	MWGDORQGRNOBTM-UHFFFAOYSA-N	-1	2	263.209	0.566	20	0		CCADLM
O=C([O-])Cn1cc(S(=O)(=O)Nc2ccsc2)cn1	ZINC000090866965	600683325	/nfs/dbraw/zinc/68/33/25/600683325.db2.gz	LGQKCNUOSSKANI-UHFFFAOYSA-N	-1	2	287.322	0.830	20	0		CCADLM
Cn1cc(NC(=O)CC2SC(=N)NC2=O)cc1C(=O)[O-]	ZINC000833045651	601312330	/nfs/dbraw/zinc/31/23/30/601312330.db2.gz	PEUJRYUATCLHAI-SSDOTTSWSA-N	-1	2	296.308	0.218	20	0		CCADLM
O=C([O-])c1nscc1NS(=O)(=O)c1cn[nH]c1	ZINC000833347281	602158318	/nfs/dbraw/zinc/15/83/18/602158318.db2.gz	WXJKQTWTWRBAIB-UHFFFAOYSA-N	-1	2	274.283	0.365	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N2CCC[C@@H](NC(=O)[O-])C2)n1	ZINC000830677793	603688683	/nfs/dbraw/zinc/68/86/83/603688683.db2.gz	JTXYGMBEQPBTIA-MRVPVSSYSA-N	-1	2	299.356	0.464	20	0		CCADLM
O=C([O-])NC[C@@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[n-]1	ZINC000834219781	605562044	/nfs/dbraw/zinc/56/20/44/605562044.db2.gz	LXXKSTAXPZGIKM-ZETCQYMHSA-N	-1	2	255.278	0.132	20	0		CCADLM
O=C([O-])NC[C@@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[n-]1	ZINC000834219781	605562045	/nfs/dbraw/zinc/56/20/45/605562045.db2.gz	LXXKSTAXPZGIKM-ZETCQYMHSA-N	-1	2	255.278	0.132	20	0		CCADLM
O=C([O-])NC[C@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[n-]1	ZINC000834219780	605562137	/nfs/dbraw/zinc/56/21/37/605562137.db2.gz	LXXKSTAXPZGIKM-SSDOTTSWSA-N	-1	2	255.278	0.132	20	0		CCADLM
O=C([O-])NC[C@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[n-]1	ZINC000834219780	605562141	/nfs/dbraw/zinc/56/21/41/605562141.db2.gz	LXXKSTAXPZGIKM-SSDOTTSWSA-N	-1	2	255.278	0.132	20	0		CCADLM
CC(C)(O)CONC(=O)[C@@H]1CCc2[nH+]ccn2C1	ZINC000834618134	614197237	/nfs/dbraw/zinc/19/72/37/614197237.db2.gz	CLVRWOHIQFFHLZ-SECBINFHSA-N	-1	2	253.302	0.264	20	0		CCADLM
C[C@H](NC(=O)c1ccc(F)cc1O)[C@@H]1C[N@@H+](C)CCN1C	ZINC000896552000	632283177	/nfs/dbraw/zinc/28/31/77/632283177.db2.gz	IPCMNSIPDUBWFH-GWCFXTLKSA-N	-1	2	295.358	0.895	20	0		CCADLM
COC[C@H]1COCC[N@@H+]1Cc1c(CO)cnc(C)c1O	ZINC001140871599	799955133	/nfs/dbraw/zinc/95/51/33/799955133.db2.gz	VZKWGQSXSCOOAM-LBPRGKRZSA-N	-1	2	282.340	0.435	20	0		CCADLM
O=C(NC1(c2nn[n-]n2)CCC1)c1cncc(O)c1	ZINC001153872097	800681887	/nfs/dbraw/zinc/68/18/87/800681887.db2.gz	KEMQAIUMBYPWDM-UHFFFAOYSA-N	-1	2	260.257	0.110	20	0		CCADLM
Cn1ccc(-c2ccc([P@@](=O)([O-])O)cc2)cc1=O	ZINC001240998411	806960857	/nfs/dbraw/zinc/96/08/57/806960857.db2.gz	ULPWPDAFVOMQSP-UHFFFAOYSA-N	-1	2	265.205	0.855	20	0		CCADLM
Cn1ccc(-c2ccc([P@](=O)([O-])O)cc2)cc1=O	ZINC001240998411	806960862	/nfs/dbraw/zinc/96/08/62/806960862.db2.gz	ULPWPDAFVOMQSP-UHFFFAOYSA-N	-1	2	265.205	0.855	20	0		CCADLM
OC[C@]1([NH2+]Cc2ccc(O)c(F)c2F)CCOC1	ZINC001205304473	803133628	/nfs/dbraw/zinc/13/36/28/803133628.db2.gz	ADKSZUXXYLHJJU-GFCCVEGCSA-N	-1	2	259.252	0.911	20	0		CCADLM
COC(=O)c1nc2ccc(NC[C@H]3COCCO3)nc2[nH]1	ZINC001168268404	814972706	/nfs/dbraw/zinc/97/27/06/814972706.db2.gz	ODLBISRGXBCGRK-QMMMGPOBSA-N	-1	2	292.295	0.572	20	0		CCADLM
Cn1nc(NS(=O)(=O)C[C@H]2CCCO2)cc1C(=O)[O-]	ZINC000725221037	811274849	/nfs/dbraw/zinc/27/48/49/811274849.db2.gz	QFVXVDBCJKPWDQ-SSDOTTSWSA-N	-1	2	289.313	0.039	20	0		CCADLM
CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2O)C1	ZINC001032909807	818354955	/nfs/dbraw/zinc/35/49/55/818354955.db2.gz	HVLBGPIJUDFKRF-LLVKDONJSA-N	-1	2	291.351	0.285	20	0		CCADLM
Cn1c[nH+]c(CCNC(=O)c2n[nH]nc2C(F)(F)F)c1	ZINC001187766220	844769518	/nfs/dbraw/zinc/76/95/18/844769518.db2.gz	LAJWADQLSULGJN-UHFFFAOYSA-N	-1	2	288.233	0.530	20	0		CCADLM
COC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1ncccc1O	ZINC001038184997	849810027	/nfs/dbraw/zinc/81/00/27/849810027.db2.gz	UPHQMCXTRZNZHD-GHMZBOCLSA-N	-1	2	279.340	0.626	20	0		CCADLM
CN(CCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)C(C)(C)C	ZINC001393639804	912698023	/nfs/dbraw/zinc/69/80/23/912698023.db2.gz	CBQDAKOCMJIKEZ-UHFFFAOYSA-N	-1	2	297.403	0.435	20	0		CCADLM
Cc1cc(C(=O)NOC2CCC2)[n-]c2nc(=O)[nH]c(=O)c1-2	ZINC001298075410	907152159	/nfs/dbraw/zinc/15/21/59/907152159.db2.gz	FLXBORIHARMDOR-UHFFFAOYSA-N	-1	2	290.279	0.958	20	0		CCADLM
CCC(CC)(NC(=O)c1[nH]nc(C)c1[O-])c1nn[nH]n1	ZINC001362427588	928007120	/nfs/dbraw/zinc/00/71/20/928007120.db2.gz	SDKXFZOOCILPBK-UHFFFAOYSA-N	-1	2	279.304	0.382	20	0		CCADLM
CC(C)(C(=O)[O-])C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1	ZINC001588611527	959513493	/nfs/dbraw/zinc/51/34/93/959513493.db2.gz	VDTHRUHQPZBGHS-UHFFFAOYSA-N	-1	2	282.300	0.327	20	0		CCADLM
CC(C)(C(=O)[O-])C(=O)NCCc1n[nH]c(=S)o1	ZINC001588618431	959530167	/nfs/dbraw/zinc/53/01/67/959530167.db2.gz	KJIWXAZEGOWURU-UHFFFAOYSA-N	-1	2	259.287	0.128	20	0		CCADLM
C[C@H](C(=O)NC(C)(C)C)[N@H+](CCC(=O)[O-])CC(=O)[O-]	ZINC001589378211	986440804	/nfs/dbraw/zinc/44/08/04/986440804.db2.gz	FHLCBZJDAQXFSE-MRVPVSSYSA-N	-1	2	274.317	0.151	20	0		CCADLM
C[C@H](C(=O)NC(C)(C)C)[N@@H+](CCC(=O)[O-])CC(=O)[O-]	ZINC001589378211	986440807	/nfs/dbraw/zinc/44/08/07/986440807.db2.gz	FHLCBZJDAQXFSE-MRVPVSSYSA-N	-1	2	274.317	0.151	20	0		CCADLM
CCn1ncn(NC(=O)c2ccc(C(=O)[O-])cc2F)c1=O	ZINC001597968151	990011925	/nfs/dbraw/zinc/01/19/25/990011925.db2.gz	PFWFGFOVQTZMDR-UHFFFAOYSA-N	-1	2	294.242	0.286	20	0		CCADLM
CCn1nccc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001597968434	990013309	/nfs/dbraw/zinc/01/33/09/990013309.db2.gz	UGJFESFQLJODSS-UHFFFAOYSA-N	-1	2	296.308	0.797	20	0		CCADLM
C[C@@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)c1nn(C)cc1O	ZINC001593140793	993923463	/nfs/dbraw/zinc/92/34/63/993923463.db2.gz	NMRZTXXYDFIFHM-LUQPRHOASA-N	-1	2	297.311	0.181	20	0		CCADLM
COCC[C@@H](NC(=O)c1cc(F)c(O)c(F)c1)C(=O)[O-]	ZINC001599216342	997589635	/nfs/dbraw/zinc/58/96/35/997589635.db2.gz	PMTFVZYJJQDNCN-SECBINFHSA-N	-1	2	289.234	0.890	20	0		CCADLM
CO[C@H](CNC(=O)c1cccc2[nH]nnc21)[C@@H]1CCOC1	ZINC000617134231	365545292	/nfs/dbraw/zinc/54/52/92/365545292.db2.gz	CAVIJPSCKYLLFT-BXKDBHETSA-N	-1	2	290.323	0.739	20	0		CCADLM
Cn1nnc2c1CC[C@H](NC(=O)c1cccc3[nH]nnc31)C2	ZINC000655302686	412537632	/nfs/dbraw/zinc/53/76/32/412537632.db2.gz	NTBOCCTWMWMSLS-QMMMGPOBSA-N	-1	2	297.322	0.374	20	0		CCADLM
O=c1[nH]nc(CN=c2[n-]nc(-c3ccon3)s2)[nH]1	ZINC000342483662	137096718	/nfs/dbraw/zinc/09/67/18/137096718.db2.gz	SUUHIZWECQHCFV-UHFFFAOYSA-N	-1	2	265.258	0.051	20	0		CCADLM
O=c1[nH]nc(CN=c2[n-]nc(Cc3ccccc3)s2)[nH]1	ZINC000343538423	137140542	/nfs/dbraw/zinc/14/05/42/137140542.db2.gz	VOFMNJHTIUEVBL-UHFFFAOYSA-N	-1	2	288.336	0.987	20	0		CCADLM
N=c1[n-]nc(CNC(=O)Nc2ccccc2F)o1	ZINC000346635498	137296639	/nfs/dbraw/zinc/29/66/39/137296639.db2.gz	ARVNORYSWPFYEE-UHFFFAOYSA-N	-1	2	251.221	0.943	20	0		CCADLM
Cn1nccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O	ZINC000124652456	350104441	/nfs/dbraw/zinc/10/44/41/350104441.db2.gz	QMTRIWOQROLZIA-UHFFFAOYSA-N	-1	2	297.292	0.625	20	0		CCADLM
Cn1nccc1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000135355162	350392804	/nfs/dbraw/zinc/39/28/04/350392804.db2.gz	HDBMGAIAXXOXME-UHFFFAOYSA-N	-1	2	295.320	0.848	20	0		CCADLM
Cc1ccc(O)c(C[N@H+]2CCN(C[C@H](C)O)[C@H](C)C2)n1	ZINC000271155374	353027098	/nfs/dbraw/zinc/02/70/98/353027098.db2.gz	HLJPGTMFZHCPGC-OLZOCXBDSA-N	-1	2	279.384	0.983	20	0		CCADLM
O=C(N[C@H]1CC(=O)N2CCCC[C@H]12)c1cccc2[nH]nnc21	ZINC000558723300	291071177	/nfs/dbraw/zinc/07/11/77/291071177.db2.gz	URCKWFDOAMAFHO-NWDGAFQWSA-N	-1	2	299.334	0.841	20	0		CCADLM
CCOC(=O)CCCC[N@H+](C)Cc1n[nH]c(=O)o1	ZINC000595546389	360573953	/nfs/dbraw/zinc/57/39/53/360573953.db2.gz	HIEPSNCBWDCABD-UHFFFAOYSA-N	-1	2	257.290	0.940	20	0		CCADLM
O=S(=O)(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ncc[nH]1	ZINC000632539873	371128179	/nfs/dbraw/zinc/12/81/79/371128179.db2.gz	RJXRSIHIDGCCDZ-GHMZBOCLSA-N	-1	2	284.385	0.705	20	0		CCADLM
CCNC(=O)C[N@H+](C)Cc1cc(=O)[nH]c(C2CC2)n1	ZINC000656413215	412789813	/nfs/dbraw/zinc/78/98/13/412789813.db2.gz	FGSFLSBWQCMLKR-UHFFFAOYSA-N	-1	2	264.329	0.628	20	0		CCADLM
C[C@@H]1C[NH2+]CCN1C(=O)c1csc(=NC2CC2)[nH]1	ZINC000637817075	374351500	/nfs/dbraw/zinc/35/15/00/374351500.db2.gz	OTHCUGNQMHTLSD-MRVPVSSYSA-N	-1	2	266.370	0.573	20	0		CCADLM
CCn1cc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1	ZINC000035781135	388837281	/nfs/dbraw/zinc/83/72/81/388837281.db2.gz	GYGVDFOIYRZKOW-UHFFFAOYSA-N	-1	2	284.297	0.730	20	0		CCADLM
C[C@@H](C(=O)NC(C)(C)C)S(=O)(=O)c1n[n-]c(=N)s1	ZINC000429867847	389773194	/nfs/dbraw/zinc/77/31/94/389773194.db2.gz	ATRKMWWLFZXLKG-YFKPBYRVSA-N	-1	2	292.386	0.028	20	0		CCADLM
CC(C(=O)NC(C)(C)C)S(=O)(=O)c1n[n-]c(=N)s1	ZINC000429867847	389773197	/nfs/dbraw/zinc/77/31/97/389773197.db2.gz	ATRKMWWLFZXLKG-YFKPBYRVSA-N	-1	2	292.386	0.028	20	0		CCADLM
Cc1nc(=NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)[nH]n1C	ZINC000647703102	390140571	/nfs/dbraw/zinc/14/05/71/390140571.db2.gz	NVKGBFOQSRUNPD-IONNQARKSA-N	-1	2	281.316	0.120	20	0		CCADLM
CN(CC(=O)[O-])C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1	ZINC000737989397	581134410	/nfs/dbraw/zinc/13/44/10/581134410.db2.gz	PNZWLHCQWUQMPW-UHFFFAOYSA-N	-1	2	277.236	0.187	20	0		CCADLM
N=C1NC(=O)[C@H](CC(=O)N2CCC[C@H](CC(=O)[O-])C2)S1	ZINC000819124790	597092477	/nfs/dbraw/zinc/09/24/77/597092477.db2.gz	RLAUXZFOMBEZNI-SFYZADRCSA-N	-1	2	299.352	0.256	20	0		CCADLM
N=C1NC(=O)[C@@H](CC(=O)N2CCC[C@@H](CC(=O)[O-])C2)S1	ZINC000819124789	597092511	/nfs/dbraw/zinc/09/25/11/597092511.db2.gz	RLAUXZFOMBEZNI-JGVFFNPUSA-N	-1	2	299.352	0.256	20	0		CCADLM
O=C([O-])C[NH+](CC(=O)[O-])Cc1ccc(F)c(F)c1	ZINC000086774008	600231297	/nfs/dbraw/zinc/23/12/97/600231297.db2.gz	XQBZKMILOQWXDG-UHFFFAOYSA-N	-1	2	259.208	0.936	20	0		CCADLM
O=C([O-])c1ccc(C(=O)NCCCc2n[nH]c(=O)[nH]2)cc1	ZINC000821545220	600834866	/nfs/dbraw/zinc/83/48/66/600834866.db2.gz	SRZAKYRVVQYGPK-UHFFFAOYSA-N	-1	2	290.279	0.571	20	0		CCADLM
O=C([O-])N1CCC2(C[C@@H]2C(=O)OCc2n[nH]c(=O)[nH]2)CC1	ZINC000834284962	605956378	/nfs/dbraw/zinc/95/63/78/605956378.db2.gz	AMTPSOSBOGTGQM-SSDOTTSWSA-N	-1	2	296.283	0.334	20	0		CCADLM
C[N@@H+]1CCO[C@@H](CNc2ccc(-c3nn[nH]n3)nc2)C1	ZINC000821629152	616255662	/nfs/dbraw/zinc/25/56/62/616255662.db2.gz	ZXCZUBJICMVBQE-JTQLQIEISA-N	-1	2	275.316	0.004	20	0		CCADLM
C[N@H+]1CCO[C@@H](CNc2ccc(-c3nn[nH]n3)nc2)C1	ZINC000821629152	616255663	/nfs/dbraw/zinc/25/56/63/616255663.db2.gz	ZXCZUBJICMVBQE-JTQLQIEISA-N	-1	2	275.316	0.004	20	0		CCADLM
Cc1ncccc1CCNC(=O)N[C@@H](C)C(=O)[O-]	ZINC000900311051	633987669	/nfs/dbraw/zinc/98/76/69/633987669.db2.gz	QKTHTVZUZSHADW-VIFPVBQESA-N	-1	2	251.286	0.705	20	0		CCADLM
O=C(NCc1n[nH]c(=O)[nH]1)c1ccc2[n-]c(=S)oc2c1	ZINC000119907320	645184448	/nfs/dbraw/zinc/18/44/48/645184448.db2.gz	CLLNDZHZBJOHED-UHFFFAOYSA-N	-1	2	291.292	0.458	20	0		CCADLM
O=c1cc(C[N@@H+]2CC[C@@H](CF)C2)nc2cc[nH]n21	ZINC000880298157	647182169	/nfs/dbraw/zinc/18/21/69/647182169.db2.gz	YONMXVMMHWHDGL-VIFPVBQESA-N	-1	2	250.277	0.814	20	0		CCADLM
C[C@@H](C(F)(F)F)S(=O)(=O)NC1(C(=O)[O-])CCC1	ZINC000800023114	647614872	/nfs/dbraw/zinc/61/48/72/647614872.db2.gz	BCGJKTXNHRSCFH-YFKPBYRVSA-N	-1	2	275.248	0.864	20	0		CCADLM
Cc1nc2c(c(=O)[nH]1)C[N@H+]([C@@H](C)CN1CCOCC1)C2	ZINC000931314950	648978603	/nfs/dbraw/zinc/97/86/03/648978603.db2.gz	JQWCDUDCTFVFKR-JTQLQIEISA-N	-1	2	278.356	0.527	20	0		CCADLM
C[C@H](O)C(=O)Oc1ccc(O[P@@](=O)([O-])O)cc1	ZINC001234331314	806224507	/nfs/dbraw/zinc/22/45/07/806224507.db2.gz	FCSKMNLROXYELT-LURJTMIESA-N	-1	2	262.154	0.444	20	0		CCADLM
C[C@H](O)C(=O)Oc1ccc(O[P@](=O)([O-])O)cc1	ZINC001234331314	806224513	/nfs/dbraw/zinc/22/45/13/806224513.db2.gz	FCSKMNLROXYELT-LURJTMIESA-N	-1	2	262.154	0.444	20	0		CCADLM
O=C(CCc1nn[n-]n1)Nc1cc(F)cc(F)c1O	ZINC001142546463	800129712	/nfs/dbraw/zinc/12/97/12/800129712.db2.gz	ZJIPOONHBJIKDV-UHFFFAOYSA-N	-1	2	269.211	0.755	20	0		CCADLM
O=C(CNc1ccc([P@](=O)([O-])O)cc1)NC1CC1	ZINC001161897006	802241404	/nfs/dbraw/zinc/24/14/04/802241404.db2.gz	DDWCLHALAGSELO-UHFFFAOYSA-N	-1	2	270.225	0.180	20	0		CCADLM
O=C(CNc1ccc([P@@](=O)([O-])O)cc1)NC1CC1	ZINC001161897006	802241409	/nfs/dbraw/zinc/24/14/09/802241409.db2.gz	DDWCLHALAGSELO-UHFFFAOYSA-N	-1	2	270.225	0.180	20	0		CCADLM
O=[P@@]([O-])(O)c1ccc(NCCn2ccnn2)cc1	ZINC001161931462	802248764	/nfs/dbraw/zinc/24/87/64/802248764.db2.gz	KEWYPXKHKIYKPG-UHFFFAOYSA-N	-1	2	268.213	0.193	20	0		CCADLM
O=[P@]([O-])(O)c1ccc(NCCn2ccnn2)cc1	ZINC001161931462	802248772	/nfs/dbraw/zinc/24/87/72/802248772.db2.gz	KEWYPXKHKIYKPG-UHFFFAOYSA-N	-1	2	268.213	0.193	20	0		CCADLM
O=C(NCS(=O)(=O)[O-])c1ccc(O)c(F)c1F	ZINC001192843543	845921471	/nfs/dbraw/zinc/92/14/71/845921471.db2.gz	YASFZZQLVRXPLT-UHFFFAOYSA-N	-1	2	267.209	0.246	20	0		CCADLM
C[C@@](O)(CNC(=O)c1c(O)cc(F)cc1F)C(=O)[O-]	ZINC001603261632	972446739	/nfs/dbraw/zinc/44/67/39/972446739.db2.gz	MURGFXJKUFLALM-LLVKDONJSA-N	-1	2	275.207	0.236	20	0		CCADLM
O=C([O-])C=Cc1cc(C(=O)NCc2n[nH]c(=O)[nH]2)co1	ZINC001606065281	973207930	/nfs/dbraw/zinc/20/79/30/973207930.db2.gz	XFEAUDSBPLCIAG-UPHRSURJSA-N	-1	2	278.224	0.131	20	0		CCADLM
O=C([O-])Cn1cnc(NC(=O)c2cccc(Cl)c2O)n1	ZINC001606360787	973817909	/nfs/dbraw/zinc/81/79/09/973817909.db2.gz	NRLYALCODHBNFP-UHFFFAOYSA-N	-1	2	296.670	0.974	20	0		CCADLM
CN(Cc1n[nH]c(=O)[nH]1)[C@@H](C(=O)[O-])c1ccccc1	ZINC001598537124	992853502	/nfs/dbraw/zinc/85/35/02/992853502.db2.gz	UARRFEOZPZELQH-SNVBAGLBSA-N	-1	2	262.269	0.768	20	0		CCADLM
COC[C@@H](NC(=O)c1cc(F)c(O)c(F)c1)C(=O)[O-]	ZINC001599171732	998617711	/nfs/dbraw/zinc/61/77/11/998617711.db2.gz	LNVMAQKANBNVNZ-MRVPVSSYSA-N	-1	2	275.207	0.500	20	0		CCADLM
CO[C@H](C)c1nsc(NCCCc2n[nH]c(=O)[n-]2)n1	ZINC000337888357	214299924	/nfs/dbraw/zinc/29/99/24/214299924.db2.gz	ZMCBBFZNGNSUBC-ZCFIWIBFSA-N	-1	2	284.345	0.536	20	0		CCADLM
COC[C@H](NC(=O)c1c[nH]c2c(cnn2C)c1=O)C1CC1	ZINC000119417085	349935167	/nfs/dbraw/zinc/93/51/67/349935167.db2.gz	KJDVUMSZGHKDOQ-NSHDSACASA-N	-1	2	290.323	0.829	20	0		CCADLM
Cn1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cn1	ZINC000070156593	348874471	/nfs/dbraw/zinc/87/44/71/348874471.db2.gz	YCTBPPMNEOSTMA-UHFFFAOYSA-N	-1	2	287.322	0.981	20	0		CCADLM
CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)Nc1cc(C)no1	ZINC000122430646	187031548	/nfs/dbraw/zinc/03/15/48/187031548.db2.gz	JJOULGCFBAIVJW-JTQLQIEISA-N	-1	2	282.344	0.768	20	0		CCADLM
O=C(C[NH2+]Cc1cccc(O)c1Cl)N1CCOCC1	ZINC000293235524	353798294	/nfs/dbraw/zinc/79/82/94/353798294.db2.gz	KZCHVLSYGCFJLC-UHFFFAOYSA-N	-1	2	284.743	0.994	20	0		CCADLM
O=C(N[C@H]1C[C@@H](O)C12CCC2)c1cccc2[nH]nnc21	ZINC000619078944	366188666	/nfs/dbraw/zinc/18/86/66/366188666.db2.gz	XATVJESPIGQHSX-WDEREUQCSA-N	-1	2	272.308	0.991	20	0		CCADLM
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(F)(F)F	ZINC000363219505	138088086	/nfs/dbraw/zinc/08/80/86/138088086.db2.gz	SKXJWEWLJNNWJU-SNVBAGLBSA-N	-1	2	295.305	0.071	20	0		CCADLM
C[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@@H]1n1ccnc1	ZINC000329474024	202351744	/nfs/dbraw/zinc/35/17/44/202351744.db2.gz	BMFAQFKANIHLRC-MNOVXSKESA-N	-1	2	276.344	0.388	20	0		CCADLM
C[N@@H+]1CCC[C@@H]1CNC(=O)N=c1nc2n([nH]1)CCCC2	ZINC000626583796	368583773	/nfs/dbraw/zinc/58/37/73/368583773.db2.gz	SZCQDRYGILWLFN-SNVBAGLBSA-N	-1	2	278.360	0.252	20	0		CCADLM
O=C(N=c1[n-]ncn1C1CC1)c1cc(C(F)F)n[nH]1	ZINC000640285122	376300305	/nfs/dbraw/zinc/30/03/05/376300305.db2.gz	NMQGHJGXPNGHSM-UHFFFAOYSA-N	-1	2	268.227	0.948	20	0		CCADLM
COCC[C@@H](NS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-]	ZINC000547878932	390406529	/nfs/dbraw/zinc/40/65/29/390406529.db2.gz	ACIAPCFTLJNRDE-PHDIDXHHSA-N	-1	2	293.263	0.346	20	0		CCADLM
Cc1cccnc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000020213614	171076526	/nfs/dbraw/zinc/07/65/26/171076526.db2.gz	ZMNSMORZVPDHJG-UHFFFAOYSA-N	-1	2	281.293	0.639	20	0		CCADLM
CN(CC(=O)[O-])Cc1nc(=O)c2sccc2[nH]1	ZINC000035305599	172119523	/nfs/dbraw/zinc/11/95/23/172119523.db2.gz	CGRMMPFQTKPJIQ-UHFFFAOYSA-N	-1	2	253.283	0.913	20	0		CCADLM
Cn1cc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cn1	ZINC000038058704	174068753	/nfs/dbraw/zinc/06/87/53/174068753.db2.gz	GHTPINPYXPIGHP-UHFFFAOYSA-N	-1	2	287.322	0.981	20	0		CCADLM
CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)NCC(F)(F)F	ZINC000126298361	287585463	/nfs/dbraw/zinc/58/54/63/287585463.db2.gz	VLIRGLSNDAPSNB-LURJTMIESA-N	-1	2	292.279	0.568	20	0		CCADLM
CCOc1n[nH]c(=NC[C@@](C)(O)C(=O)[O-])c2ccccc21	ZINC000583207142	329365146	/nfs/dbraw/zinc/36/51/46/329365146.db2.gz	NUKCDLLLVPKYKP-CQSZACIVSA-N	-1	2	291.307	0.698	20	0		CCADLM
CSc1nc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)n[nH]1	ZINC000682483458	545480285	/nfs/dbraw/zinc/48/02/85/545480285.db2.gz	JZQHFCUACMNLAV-SSDOTTSWSA-N	-1	2	278.341	0.924	20	0		CCADLM
O=C([O-])NCc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1	ZINC000740002596	581272844	/nfs/dbraw/zinc/27/28/44/581272844.db2.gz	XATWLADNYUXSQQ-UHFFFAOYSA-N	-1	2	296.308	0.978	20	0		CCADLM
O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1	ZINC000739549890	581570666	/nfs/dbraw/zinc/57/06/66/581570666.db2.gz	VGMNXNIYEBIOBE-IUCAKERBSA-N	-1	2	289.247	0.689	20	0		CCADLM
C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCN(C)C(=O)C1	ZINC000736194887	581713466	/nfs/dbraw/zinc/71/34/66/581713466.db2.gz	DFKLYSAIWNGVEW-JTQLQIEISA-N	-1	2	286.339	0.702	20	0		CCADLM
O=C([O-])NCC(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1	ZINC000738654880	581737533	/nfs/dbraw/zinc/73/75/33/581737533.db2.gz	WBBMNULBYSAKLD-UHFFFAOYSA-N	-1	2	278.224	0.236	20	0		CCADLM
O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1cc(=O)[nH][n-]1	ZINC000732285094	581817539	/nfs/dbraw/zinc/81/75/39/581817539.db2.gz	QWKSGGVQEPJCOD-UHFFFAOYSA-N	-1	2	288.242	0.425	20	0		CCADLM
Cn1nccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000044593586	600054900	/nfs/dbraw/zinc/05/49/00/600054900.db2.gz	NZVUWEQIYCACHJ-UHFFFAOYSA-N	-1	2	281.293	0.919	20	0		CCADLM
C[C@H]1[C@H](C)N(C(=O)[O-])CCN1Cc1n[nH]c(=O)[nH]1	ZINC000833825314	606039330	/nfs/dbraw/zinc/03/93/30/606039330.db2.gz	BAUBMMRQEIWCGI-BQBZGAKWSA-N	-1	2	255.278	0.083	20	0		CCADLM
CC(C)[C@H](C(=O)[O-])C(=O)NOCc1cccnc1	ZINC000911804539	614193407	/nfs/dbraw/zinc/19/34/07/614193407.db2.gz	DNXQZVBPQKFMPP-JTQLQIEISA-N	-1	2	252.270	0.986	20	0		CCADLM
CC[N@H+]1[C@H](C)CN(C(=O)CCCc2nn[nH]n2)C[C@@H]1C	ZINC000898383777	615449019	/nfs/dbraw/zinc/44/90/19/615449019.db2.gz	DYMISQFZIXMXMK-PHIMTYICSA-N	-1	2	280.376	0.464	20	0		CCADLM
O=C([O-])[C@@H](CF)NC(=O)NC[C@]12C[C@H]1COC21CCC1	ZINC000900309382	633987463	/nfs/dbraw/zinc/98/74/63/633987463.db2.gz	ZSWPXSKRCVAMOQ-YGOYTEALSA-N	-1	2	286.303	0.668	20	0		CCADLM
O=C([O-])[C@H]1CSCCN1C(=O)NC/C=C\Cl	ZINC000900311061	633988077	/nfs/dbraw/zinc/98/80/77/633988077.db2.gz	QOAJYNCTRTVWBE-TWJVDONLSA-N	-1	2	264.734	0.951	20	0		CCADLM
O=C(NC1C(=O)N=CN=C1[O-])c1c[nH]c2cccnc2c1=O	ZINC001153851950	800677602	/nfs/dbraw/zinc/67/76/02/800677602.db2.gz	UOUDELVKIHCGDS-UHFFFAOYSA-N	-1	2	299.246	0.377	20	0		CCADLM
CNC(=O)c1ccc(-c2ccc([P@@](=O)([O-])O)cc2)cn1	ZINC001239860209	806922778	/nfs/dbraw/zinc/92/27/78/806922778.db2.gz	JXZZBDGWBPTHCU-UHFFFAOYSA-N	-1	2	292.231	0.911	20	0		CCADLM
CNC(=O)c1ccc(-c2ccc([P@](=O)([O-])O)cc2)cn1	ZINC001239860209	806922781	/nfs/dbraw/zinc/92/27/81/806922781.db2.gz	JXZZBDGWBPTHCU-UHFFFAOYSA-N	-1	2	292.231	0.911	20	0		CCADLM
C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2O)C1	ZINC001032921372	818362159	/nfs/dbraw/zinc/36/21/59/818362159.db2.gz	PLVWKJHSFVPRIV-GHMZBOCLSA-N	-1	2	291.351	0.412	20	0		CCADLM
C[C@H](C(F)(F)F)S(=O)(=O)NC1(C(=O)[O-])CC1	ZINC000381174336	849738827	/nfs/dbraw/zinc/73/88/27/849738827.db2.gz	UVQPYACHDZVVPQ-SCSAIBSYSA-N	-1	2	261.221	0.474	20	0		CCADLM
O=C([O-])c1cc(S(=O)(=O)Nc2nnco2)ccc1F	ZINC001186133602	844515774	/nfs/dbraw/zinc/51/57/74/844515774.db2.gz	PMBUIMXBZXHXNR-UHFFFAOYSA-N	-1	2	287.228	0.708	20	0		CCADLM
COc1cccc(O)c1C(=O)N=c1cc(C(=O)[O-])[nH][nH]1	ZINC000404638478	953380004	/nfs/dbraw/zinc/38/00/04/953380004.db2.gz	KMOAZWQWLNFSIZ-UHFFFAOYSA-N	-1	2	277.236	0.496	20	0		CCADLM
N=C1NC(=O)[C@@H](CC(=O)NC[C@@H](C(=O)[O-])C2CCC2)S1	ZINC001594654284	956495182	/nfs/dbraw/zinc/49/51/82/956495182.db2.gz	PHNCMUHUGXHOGA-HTQZYQBOSA-N	-1	2	299.352	0.160	20	0		CCADLM
O=C([O-])Cn1cnc(NC(=O)c2ocnc2C(F)F)n1	ZINC001574748359	957716085	/nfs/dbraw/zinc/71/60/85/957716085.db2.gz	OIDGLXIGLHHOFM-UHFFFAOYSA-N	-1	2	287.182	0.541	20	0		CCADLM
O=C([O-])c1ccc(C(=O)NCCc2n[nH]c(=S)o2)cn1	ZINC001605792637	972503622	/nfs/dbraw/zinc/50/36/22/972503622.db2.gz	HMONNSMOAONNJT-UHFFFAOYSA-N	-1	2	294.292	0.424	20	0		CCADLM
C[C@H](CC(=O)[O-])C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC001592341852	977792136	/nfs/dbraw/zinc/79/21/36/977792136.db2.gz	GRNHNKHTEGHORF-SFYZADRCSA-N	-1	2	282.300	0.327	20	0		CCADLM
CS(=O)(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC001599762411	992139986	/nfs/dbraw/zinc/13/99/86/992139986.db2.gz	OWZTUCGGXPOJOT-UHFFFAOYSA-N	-1	2	250.301	0.532	20	0		CCADLM
CC(C)C[C@@H](Nc1cc[nH+]c(C(=O)[O-])n1)C(=O)[O-]	ZINC001591441730	992537743	/nfs/dbraw/zinc/53/77/43/992537743.db2.gz	LRUJOUPTDVPPGI-SSDOTTSWSA-N	-1	2	253.258	0.508	20	0		CCADLM
Cn1ccnc1CNC(=O)N=c1[n-]nc2ccccn21	ZINC000344746673	137211117	/nfs/dbraw/zinc/21/11/17/137211117.db2.gz	ITZPKQKWRUXVTD-UHFFFAOYSA-N	-1	2	271.284	0.206	20	0		CCADLM
CCOC(=O)[C@H]1CC[C@@H](NC(=O)N=c2[n-]ncs2)C1	ZINC000346642442	137296469	/nfs/dbraw/zinc/29/64/69/137296469.db2.gz	LMHHQOZQLLUUHS-JGVFFNPUSA-N	-1	2	284.341	0.813	20	0		CCADLM
CCC[N@H+](CC)CCNC(=O)N=c1ccc(OC)n[n-]1	ZINC000346637817	137296633	/nfs/dbraw/zinc/29/66/33/137296633.db2.gz	RETBSQPBGAGOLK-UHFFFAOYSA-N	-1	2	281.360	0.761	20	0		CCADLM
C[C@H](OCc1ccccc1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000346643271	137296664	/nfs/dbraw/zinc/29/66/64/137296664.db2.gz	CJPCVQFVXBSMQY-VIFPVBQESA-N	-1	2	276.296	0.732	20	0		CCADLM
Cc1csc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)n1	ZINC000192664665	351792661	/nfs/dbraw/zinc/79/26/61/351792661.db2.gz	LCGFGVGBFMQSAI-LBPRGKRZSA-N	-1	2	280.353	0.626	20	0		CCADLM
C[C@@H]1C[N@H+](CCCOC(=O)NC(N)=O)CCC1=O	ZINC000283130881	353483343	/nfs/dbraw/zinc/48/33/43/353483343.db2.gz	NNEBGAKJNHPWLZ-MRVPVSSYSA-N	-1	2	257.290	0.092	20	0		CCADLM
C[C@@H]1C[N@@H+](CCCOC(=O)NC(N)=O)CCC1=O	ZINC000283130881	353483345	/nfs/dbraw/zinc/48/33/45/353483345.db2.gz	NNEBGAKJNHPWLZ-MRVPVSSYSA-N	-1	2	257.290	0.092	20	0		CCADLM
CN1CC[C@@H](CNC(=O)c2cccc3[nH]nnc32)CC1=O	ZINC000567704645	358574653	/nfs/dbraw/zinc/57/46/53/358574653.db2.gz	FEFWXVNAOGGSHG-SECBINFHSA-N	-1	2	287.323	0.556	20	0		CCADLM
O=C([O-])CSCCNS(=O)(=O)CC(F)(F)F	ZINC000567799422	358588046	/nfs/dbraw/zinc/58/80/46/358588046.db2.gz	OTWCVIJDCCSYHF-UHFFFAOYSA-N	-1	2	281.277	0.286	20	0		CCADLM
O=C(N=c1ccc(C2CC2)n[nH]1)N[C@@H]1C[NH2+]CCC1(F)F	ZINC000573936701	359014013	/nfs/dbraw/zinc/01/40/13/359014013.db2.gz	NHGQYABWQJAYFJ-SNVBAGLBSA-N	-1	2	297.309	0.895	20	0		CCADLM
CC[N@H+](CC(=O)N(C)C)Cc1cc(=O)[nH]c(C2CC2)n1	ZINC000656411135	412789948	/nfs/dbraw/zinc/78/99/48/412789948.db2.gz	LUSVEDOUOQWHHP-UHFFFAOYSA-N	-1	2	278.356	0.970	20	0		CCADLM
C[N@@H+]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1C(C)(C)C	ZINC000639746785	375975792	/nfs/dbraw/zinc/97/57/92/375975792.db2.gz	MXFXOCRVPRPHTL-VIFPVBQESA-N	-1	2	253.350	0.672	20	0		CCADLM
COc1cc(C)ccc1C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1	ZINC000449227117	389992812	/nfs/dbraw/zinc/99/28/12/389992812.db2.gz	OOUQPXYFTRXBMX-LBPRGKRZSA-N	-1	2	289.335	0.740	20	0		CCADLM
Cc1cc(=NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)[nH]nc1C	ZINC000647696664	390139325	/nfs/dbraw/zinc/13/93/25/390139325.db2.gz	SUBZAUMPCXJYLY-VHSXEESVSA-N	-1	2	278.312	0.890	20	0		CCADLM
COCCN1CC[NH+](Cc2ncccc2O)CC1	ZINC000567026061	390666322	/nfs/dbraw/zinc/66/63/22/390666322.db2.gz	QOLSYEMBGIDQMT-UHFFFAOYSA-N	-1	2	251.330	0.551	20	0		CCADLM
C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](C(=O)[O-])C1CC1	ZINC000548216400	286017021	/nfs/dbraw/zinc/01/70/21/286017021.db2.gz	DNVWXXZATNXART-INEUFUBQSA-N	-1	2	275.248	0.720	20	0		CCADLM
O=C([O-])Cn1cc(NS(=O)(=O)c2cccc(F)c2)cn1	ZINC000038030499	174022153	/nfs/dbraw/zinc/02/21/53/174022153.db2.gz	VXODFRPQFZWSEM-UHFFFAOYSA-N	-1	2	299.283	0.908	20	0		CCADLM
C[C@@H](CCC(=O)[O-])NS(=O)(=O)CC(F)(F)F	ZINC000381187468	336054085	/nfs/dbraw/zinc/05/40/85/336054085.db2.gz	XXZARPMVITVADW-YFKPBYRVSA-N	-1	2	263.237	0.721	20	0		CCADLM
Cc1sc(NCCc2nc(N)no2)nc1C(=O)[O-]	ZINC000581827581	336148406	/nfs/dbraw/zinc/14/84/06/336148406.db2.gz	WFPCNLAMNAMEDE-UHFFFAOYSA-N	-1	2	269.286	0.022	20	0		CCADLM
CC(C)S(=O)(=O)CCCSc1n[nH]c(=O)[n-]1	ZINC000187637657	519786882	/nfs/dbraw/zinc/78/68/82/519786882.db2.gz	RJWXXCRPYYQTNK-UHFFFAOYSA-N	-1	2	265.360	0.816	20	0		CCADLM
Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC(O)C1	ZINC000737410213	581954399	/nfs/dbraw/zinc/95/43/99/581954399.db2.gz	QFJZBCIVFFMADW-UHFFFAOYSA-N	-1	2	282.307	0.904	20	0		CCADLM
Cc1ccc2c(=O)c(C(=O)N(C)CC(=O)[O-])c[nH]c2n1	ZINC000738295300	582034120	/nfs/dbraw/zinc/03/41/20/582034120.db2.gz	OUCKNQJITORWOL-UHFFFAOYSA-N	-1	2	275.264	0.800	20	0		CCADLM
O=C(CSc1n[nH]c(=O)[n-]1)NOCc1cccnc1	ZINC000776676116	582086412	/nfs/dbraw/zinc/08/64/12/582086412.db2.gz	FHPGXGOCPICJAZ-UHFFFAOYSA-N	-1	2	281.297	0.245	20	0		CCADLM
Cc1nonc1C(=O)Nc1nnc(CCCC(=O)[O-])s1	ZINC000738956210	582093742	/nfs/dbraw/zinc/09/37/42/582093742.db2.gz	GJFQANYGINRIBG-UHFFFAOYSA-N	-1	2	297.296	0.889	20	0		CCADLM
N=C1NC(=O)[C@H](CC(=O)NCc2ccc(C(=O)[O-])o2)S1	ZINC000833089302	600886520	/nfs/dbraw/zinc/88/65/20/600886520.db2.gz	MEAYRFWSHCETDP-ZETCQYMHSA-N	-1	2	297.292	0.150	20	0		CCADLM
N=C1NC(=O)[C@@H](CC(=O)NC2(CC(=O)[O-])CCC2)S1	ZINC000833089675	601433219	/nfs/dbraw/zinc/43/32/19/601433219.db2.gz	TWDIXCMWCMBNEL-ZCFIWIBFSA-N	-1	2	285.325	0.056	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N2CCN(C(=O)[O-])[C@H](C)C2)n1	ZINC000830677494	603840391	/nfs/dbraw/zinc/84/03/91/603840391.db2.gz	GYZYIRVSKSWAPC-SSDOTTSWSA-N	-1	2	299.356	0.416	20	0		CCADLM
O=C([O-])Nc1ccc(CC(=O)OCc2n[nH]c(=O)[nH]2)cc1	ZINC000834258636	605955530	/nfs/dbraw/zinc/95/55/30/605955530.db2.gz	IFRCUQZWBUBXRE-UHFFFAOYSA-N	-1	2	292.251	0.886	20	0		CCADLM
C[C@]1(C(=O)OCc2n[nH]c(=O)[nH]2)CCCN(C(=O)[O-])C1	ZINC000833822543	605955568	/nfs/dbraw/zinc/95/55/68/605955568.db2.gz	OBSZOAWAZLYXGC-NSHDSACASA-N	-1	2	284.272	0.334	20	0		CCADLM
CCC[C@@](C)(NC(=O)C[C@@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC000829193654	615028252	/nfs/dbraw/zinc/02/82/52/615028252.db2.gz	CHBMBDVXLWYDTD-UPONEAKYSA-N	-1	2	287.341	0.302	20	0		CCADLM
CCc1nc(NS(=O)(=O)c2cc(C(=O)[O-])co2)no1	ZINC000833675782	615750525	/nfs/dbraw/zinc/75/05/25/615750525.db2.gz	SMRZETYGPYBKEB-UHFFFAOYSA-N	-1	2	287.253	0.724	20	0		CCADLM
O=C([O-])C(F)(F)CNS(=O)(=O)C[C@@H]1CCCCO1	ZINC000905998764	634946281	/nfs/dbraw/zinc/94/62/81/634946281.db2.gz	CJFAFGDFGZDKPO-ZETCQYMHSA-N	-1	2	287.284	0.195	20	0		CCADLM
O=C([O-])C(F)(F)CNS(=O)(=O)CC1(F)CCC1	ZINC000906000446	634947120	/nfs/dbraw/zinc/94/71/20/634947120.db2.gz	XZSOUWJHNPOQMX-UHFFFAOYSA-N	-1	2	275.248	0.518	20	0		CCADLM
O=C([O-])c1ccc[nH+]c1N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	ZINC000910333009	635741216	/nfs/dbraw/zinc/74/12/16/635741216.db2.gz	HRGHBUJDAGZPKX-FKTZTGRPSA-N	-1	2	262.265	0.937	20	0		CCADLM
O=C(Nn1c(=O)[n-][nH]c1=O)c1coc2c1C(=O)CCC2	ZINC000854609239	644233382	/nfs/dbraw/zinc/23/33/82/644233382.db2.gz	MYUXREAIZVDHLK-UHFFFAOYSA-N	-1	2	278.224	0.185	20	0		CCADLM
O=C(CCCn1cc[nH+]c1)NOCCN1CCCC1=O	ZINC000856038896	644382753	/nfs/dbraw/zinc/38/27/53/644382753.db2.gz	KXWNLSGLRSNZIB-UHFFFAOYSA-N	-1	2	280.328	0.334	20	0		CCADLM
C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC(C)(C)C1	ZINC001220288664	804561782	/nfs/dbraw/zinc/56/17/82/804561782.db2.gz	FLRLSYQYURSYHV-BBBLOLIVSA-N	-1	2	280.376	0.401	20	0		CCADLM
CO[C@@](C)(C(=O)[O-])C(=O)Nc1cc(C(F)(F)F)n[nH]1	ZINC001593930601	956173011	/nfs/dbraw/zinc/17/30/11/956173011.db2.gz	RGGBHSYDEBWBBS-MRVPVSSYSA-N	-1	2	281.190	0.857	20	0		CCADLM
Cc1n[nH]cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000257655918	961332009	/nfs/dbraw/zinc/33/20/09/961332009.db2.gz	PRSOMXORSDRCEC-UHFFFAOYSA-N	-1	2	270.270	0.545	20	0		CCADLM
CC(C)(NC(=O)C(F)(F)F)C(=O)O[C@@H](C(=O)[O-])C1CC1	ZINC001588786800	961349155	/nfs/dbraw/zinc/34/91/55/961349155.db2.gz	VKABCNRFBNNZHB-ZCFIWIBFSA-N	-1	2	297.229	0.850	20	0		CCADLM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C[C@@H]2SC(=N)NC2=O)C1	ZINC001603359819	972814825	/nfs/dbraw/zinc/81/48/25/972814825.db2.gz	BEQJZXDNRUSWNQ-CSMHCCOUSA-N	-1	2	299.352	0.112	20	0		CCADLM
CC(C)(C)[C@@H](NC(=O)C[C@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC001589712943	987850919	/nfs/dbraw/zinc/85/09/19/987850919.db2.gz	UGPVDDFAAMWZSX-VDTYLAMSSA-N	-1	2	287.341	0.158	20	0		CCADLM
CC(C)C[C@H](Nc1cc[nH+]c(C(=O)[O-])n1)C(=O)[O-]	ZINC001591471751	992586232	/nfs/dbraw/zinc/58/62/32/992586232.db2.gz	LRUJOUPTDVPPGI-ZETCQYMHSA-N	-1	2	253.258	0.508	20	0		CCADLM
O=C([O-])c1ccccc1NS(=O)(=O)c1cn[nH]c1	ZINC000037744795	348201039	/nfs/dbraw/zinc/20/10/39/348201039.db2.gz	YUAQHDUYNQQFRC-UHFFFAOYSA-N	-1	2	267.266	0.909	20	0		CCADLM
CN(CC(=O)[O-])C(=O)C1=NN(c2ccccc2)CC1=O	ZINC000153132128	350553542	/nfs/dbraw/zinc/55/35/42/350553542.db2.gz	RYVVQPYCAWZWAQ-UHFFFAOYSA-N	-1	2	275.264	0.735	20	0		CCADLM
Cc1ccc(O)c(C[N@H+]2CCN(C[C@@H](C)O)[C@@H](C)C2)n1	ZINC000271155376	353027621	/nfs/dbraw/zinc/02/76/21/353027621.db2.gz	HLJPGTMFZHCPGC-QWHCGFSZSA-N	-1	2	279.384	0.983	20	0		CCADLM
O=C([O-])C1(NS(=O)(=O)CC(F)(F)F)CCC1	ZINC000571320109	291806610	/nfs/dbraw/zinc/80/66/10/291806610.db2.gz	DPDRRUWRSHZIAL-UHFFFAOYSA-N	-1	2	261.221	0.475	20	0		CCADLM
CCOC(=O)c1cc(=NC(=O)c2ncc(C)cc2O)[nH][n-]1	ZINC000548636856	286054120	/nfs/dbraw/zinc/05/41/20/286054120.db2.gz	UYNXLSUPCKRJGL-UHFFFAOYSA-N	-1	2	290.279	0.670	20	0		CCADLM
O=C([O-])Cn1cc(S(=O)(=O)Nc2ccncc2)cn1	ZINC000035651611	172328250	/nfs/dbraw/zinc/32/82/50/172328250.db2.gz	YUFWZGAMBJSVDC-UHFFFAOYSA-N	-1	2	282.281	0.164	20	0		CCADLM
CC(C)Cc1nsc(NCCn2cc(C(=O)[O-])nn2)n1	ZINC000519161997	265348890	/nfs/dbraw/zinc/34/88/90/265348890.db2.gz	WICZMWOBYAULGT-UHFFFAOYSA-N	-1	2	296.356	0.560	20	0		CCADLM
CC(C)(C)c1nc(=NCCn2cc(C(=O)[O-])nn2)[nH]o1	ZINC000578656519	335660451	/nfs/dbraw/zinc/66/04/51/335660451.db2.gz	ZOJGYWOFERFYBU-UHFFFAOYSA-N	-1	2	280.288	0.191	20	0		CCADLM
O=C([O-])CC[C@H](NC(=O)C1=NNC(=O)C1)c1ccccc1	ZINC000739659210	581588463	/nfs/dbraw/zinc/58/84/63/581588463.db2.gz	KRLJCZXJVUXICM-JTQLQIEISA-N	-1	2	289.291	0.585	20	0		CCADLM
COCCN(CC(=O)[O-])Cc1nc(=O)c2sccc2[nH]1	ZINC000049607219	600446569	/nfs/dbraw/zinc/44/65/69/600446569.db2.gz	PUMBXKCYOWMQDU-UHFFFAOYSA-N	-1	2	297.336	0.518	20	0		CCADLM
N=C1NC(=O)[C@H](CC(=O)NC2CCC(C(=O)[O-])CC2)S1	ZINC000821357049	600880168	/nfs/dbraw/zinc/88/01/68/600880168.db2.gz	DLCLWOHFEHTXLE-RRQHEKLDSA-N	-1	2	299.352	0.302	20	0		CCADLM
N=C1NC(=O)[C@H](CC(=O)N2CCCC[C@@H]2C(=O)[O-])S1	ZINC000821357148	601744221	/nfs/dbraw/zinc/74/42/21/601744221.db2.gz	JUMXTHFQDRMTLO-RQJHMYQMSA-N	-1	2	285.325	0.009	20	0		CCADLM
O=C([O-])NC1(CC(=O)NCCCc2n[nH]c(=O)[nH]2)CCC1	ZINC000832203213	603942661	/nfs/dbraw/zinc/94/26/61/603942661.db2.gz	FFWASKPAWPUBNH-UHFFFAOYSA-N	-1	2	297.315	0.140	20	0		CCADLM
N=C1NC(=O)C(CC(=O)Nc2cc(C(=O)[O-])cs2)S1	ZINC000833089509	604313187	/nfs/dbraw/zinc/31/31/87/604313187.db2.gz	QAOINKYIWSNZLJ-YFKPBYRVSA-N	-1	2	299.333	0.941	20	0		CCADLM
C[C@@]1(C(=O)OCc2n[nH]c(=O)[nH]2)CCCN1C(=O)[O-]	ZINC000833822390	605955655	/nfs/dbraw/zinc/95/56/55/605955655.db2.gz	MRMFZKGOECOJLA-JTQLQIEISA-N	-1	2	270.245	0.086	20	0		CCADLM
O=C([O-])N1CCC2(C[C@H]2C(=O)OCc2n[nH]c(=O)[nH]2)CC1	ZINC000834284964	605956494	/nfs/dbraw/zinc/95/64/94/605956494.db2.gz	AMTPSOSBOGTGQM-ZETCQYMHSA-N	-1	2	296.283	0.334	20	0		CCADLM
CSC[C@@H](NS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-]	ZINC000906005460	617250372	/nfs/dbraw/zinc/25/03/72/617250372.db2.gz	RCEZJOUTCIEXTE-RFZPGFLSSA-N	-1	2	295.304	0.673	20	0		CCADLM
CCC(CC)(NC(=O)C[C@@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC000828824228	614528514	/nfs/dbraw/zinc/52/85/14/614528514.db2.gz	CDGIIYBYZBATCC-LURJTMIESA-N	-1	2	287.341	0.302	20	0		CCADLM
CO[C@@H](C)c1nc(C)c(C(=O)Nn2c(=O)[n-][nH]c2=O)s1	ZINC000816732101	641204025	/nfs/dbraw/zinc/20/40/25/641204025.db2.gz	SCYYTJTWATZYAQ-YFKPBYRVSA-N	-1	2	299.312	0.546	20	0		CCADLM
C[C@@H](CN(C(=O)C[C@@H]1SC(=N)NC1=O)C1CC1)C(=O)[O-]	ZINC000827433041	642006242	/nfs/dbraw/zinc/00/62/42/642006242.db2.gz	TZRHJHKKLFLKRP-XPUUQOCRSA-N	-1	2	299.352	0.255	20	0		CCADLM
O=c1cc(C[N@@H+]2CC[C@H](CF)C2)nc2cc[nH]n21	ZINC000880298156	647181829	/nfs/dbraw/zinc/18/18/29/647181829.db2.gz	YONMXVMMHWHDGL-SECBINFHSA-N	-1	2	250.277	0.814	20	0		CCADLM
O=[P@@]([O-])(O)c1ccc(NCc2cncnc2)cc1	ZINC001167268667	790763892	/nfs/dbraw/zinc/76/38/92/790763892.db2.gz	UZVRIOAQUHJSMW-UHFFFAOYSA-N	-1	2	265.209	0.892	20	0		CCADLM
O=[P@]([O-])(O)c1ccc(NCc2cncnc2)cc1	ZINC001167268667	790763898	/nfs/dbraw/zinc/76/38/98/790763898.db2.gz	UZVRIOAQUHJSMW-UHFFFAOYSA-N	-1	2	265.209	0.892	20	0		CCADLM
COc1ccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c(Cl)c1O	ZINC001233397440	806054658	/nfs/dbraw/zinc/05/46/58/806054658.db2.gz	ADUBIEZRKHBKET-NXEZZACHSA-N	-1	2	287.743	0.839	20	0		CCADLM
C[C@H](CON)Oc1ccc(O[P@@](=O)([O-])O)cc1	ZINC001234337069	806226517	/nfs/dbraw/zinc/22/65/17/806226517.db2.gz	WSNXNXCPUNPMCF-SSDOTTSWSA-N	-1	2	263.186	0.816	20	0		CCADLM
C[C@H](CON)Oc1ccc(O[P@](=O)([O-])O)cc1	ZINC001234337069	806226521	/nfs/dbraw/zinc/22/65/21/806226521.db2.gz	WSNXNXCPUNPMCF-SSDOTTSWSA-N	-1	2	263.186	0.816	20	0		CCADLM
Cc1ncc(CO)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3=O)c1O	ZINC001140872148	799954094	/nfs/dbraw/zinc/95/40/94/799954094.db2.gz	QFEUKKWPUFOSIC-TXEJJXNPSA-N	-1	2	292.335	0.235	20	0		CCADLM
CN(C(=O)CCNc1ccc([P@@](=O)([O-])O)cc1)C1CC1	ZINC001162631213	802379443	/nfs/dbraw/zinc/37/94/43/802379443.db2.gz	UNLPYWNXABCCOQ-UHFFFAOYSA-N	-1	2	298.279	0.912	20	0		CCADLM
CN(C(=O)CCNc1ccc([P@](=O)([O-])O)cc1)C1CC1	ZINC001162631213	802379450	/nfs/dbraw/zinc/37/94/50/802379450.db2.gz	UNLPYWNXABCCOQ-UHFFFAOYSA-N	-1	2	298.279	0.912	20	0		CCADLM
[NH3+][C@@H](Cc1nn[nH]n1)c1nnc(Cc2ccccc2F)o1	ZINC001217694022	803900975	/nfs/dbraw/zinc/90/09/75/803900975.db2.gz	SUDJYUMVLSEDAD-VIFPVBQESA-N	-1	2	289.274	0.555	20	0		CCADLM
N[C@H](C(=O)Nc1cc(=O)[n-]c(Cl)n1)C(F)(F)F	ZINC001218648482	804058449	/nfs/dbraw/zinc/05/84/49/804058449.db2.gz	UMMZNNMCUIYXGY-SCSAIBSYSA-N	-1	2	270.598	0.664	20	0		CCADLM
C[N@@H+]1CCO[C@@H](COc2ccccc2-c2nn[nH]n2)C1	ZINC001229955907	805567517	/nfs/dbraw/zinc/56/75/17/805567517.db2.gz	ZWGVBYOKIZGKBF-SNVBAGLBSA-N	-1	2	275.312	0.576	20	0		CCADLM
Cc1[nH]c(=O)[nH]c(=S)c1C(=O)N1CC[NH+](C2CC2)CC1	ZINC001263721574	809557078	/nfs/dbraw/zinc/55/70/78/809557078.db2.gz	VSMWNQUBUIMIIP-UHFFFAOYSA-N	-1	2	294.380	0.700	20	0		CCADLM
O=C([O-])CCC(=O)CNC(=O)c1ccc(F)c(F)c1O	ZINC001192817123	845914307	/nfs/dbraw/zinc/91/43/07/845914307.db2.gz	DCFHHOIRUVBUSZ-UHFFFAOYSA-N	-1	2	287.218	0.834	20	0		CCADLM
CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@@H](c2nn[nH]n2)C1	ZINC001197297560	846889530	/nfs/dbraw/zinc/88/95/30/846889530.db2.gz	QBGIYGWDMTYZLC-RKDXNWHRSA-N	-1	2	253.306	0.331	20	0		CCADLM
CNC(=O)C[N@@H+](CCNC(=O)c1ccccc1O)C1CC1	ZINC001404186099	918234218	/nfs/dbraw/zinc/23/42/18/918234218.db2.gz	CIOPZBUELXQFJX-UHFFFAOYSA-N	-1	2	291.351	0.332	20	0		CCADLM
O=C([O-])c1cc(S(=O)(=O)Nc2cn[nH]c2)c[nH]1	ZINC000035764170	957223386	/nfs/dbraw/zinc/22/33/86/957223386.db2.gz	MMGJJHUVYGVVCY-UHFFFAOYSA-N	-1	2	256.243	0.237	20	0		CCADLM
O=C([O-])COc1cccc(NS(=O)(=O)c2cn[nH]c2)c1	ZINC000038087257	957355750	/nfs/dbraw/zinc/35/57/50/957355750.db2.gz	LFVCFDQINZAOSH-UHFFFAOYSA-N	-1	2	297.292	0.674	20	0		CCADLM
O=C([O-])[C@H]1C[C@@H](O)CN1Cc1nc(=O)c2sccc2[nH]1	ZINC000132047992	958763343	/nfs/dbraw/zinc/76/33/43/958763343.db2.gz	IZUZSMGOLKFONZ-HTRCEHHLSA-N	-1	2	295.320	0.004	20	0		CCADLM
CC(C)(NC(=O)C(F)(F)F)C(=O)O[C@H](C(=O)[O-])C1CC1	ZINC001588786797	961350156	/nfs/dbraw/zinc/35/01/56/961350156.db2.gz	VKABCNRFBNNZHB-LURJTMIESA-N	-1	2	297.229	0.850	20	0		CCADLM
O=C([O-])CCCC(=O)NNC(=O)c1n[nH]c2c1CCCC2	ZINC000010171150	967495081	/nfs/dbraw/zinc/49/50/81/967495081.db2.gz	KTNABUHIXDNJHZ-UHFFFAOYSA-N	-1	2	294.311	0.304	20	0		CCADLM
C[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])C1=NN(C)CC1=O	ZINC001593140019	993918799	/nfs/dbraw/zinc/91/87/99/993918799.db2.gz	DIVMHIJBYFTQSW-DSYKOEDSSA-N	-1	2	253.258	0.024	20	0		CCADLM
C[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1nn(C)cc1O	ZINC001593140019	993918809	/nfs/dbraw/zinc/91/88/09/993918809.db2.gz	DIVMHIJBYFTQSW-DSYKOEDSSA-N	-1	2	253.258	0.024	20	0		CCADLM
C[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1nn(C)cc1O	ZINC001593159612	993986081	/nfs/dbraw/zinc/98/60/81/993986081.db2.gz	KDTKCQSCWWTVTA-LURJTMIESA-N	-1	2	279.252	0.908	20	0		CCADLM
C[C@H](c1cnccn1)[N@H+](CCC(=O)[O-])CC(=O)[O-]	ZINC001593724276	996264673	/nfs/dbraw/zinc/26/46/73/996264673.db2.gz	JEHCLNYMLWJSTO-MRVPVSSYSA-N	-1	2	253.258	0.399	20	0		CCADLM
C[C@H](c1cnccn1)[N@@H+](CCC(=O)[O-])CC(=O)[O-]	ZINC001593724276	996264679	/nfs/dbraw/zinc/26/46/79/996264679.db2.gz	JEHCLNYMLWJSTO-MRVPVSSYSA-N	-1	2	253.258	0.399	20	0		CCADLM
CCOC(=O)c1c[nH]c(NC(=O)C2([NH+](C)C)CC2)n1	ZINC000600828006	362074951	/nfs/dbraw/zinc/07/49/51/362074951.db2.gz	YRMAXLQUYWZSMY-UHFFFAOYSA-N	-1	2	266.301	0.619	20	0		CCADLM
CCc1cc(=O)[nH]c(C[N@@H+](C)CCN2CCOCC2)n1	ZINC000120812852	350007255	/nfs/dbraw/zinc/00/72/55/350007255.db2.gz	LNPRBNOVVLEOGJ-UHFFFAOYSA-N	-1	2	280.372	0.509	20	0		CCADLM
CCn1ccnc1C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O	ZINC000192663034	351792295	/nfs/dbraw/zinc/79/22/95/351792295.db2.gz	WRIGJZHCPNFNAG-CYBMUJFWSA-N	-1	2	277.328	0.077	20	0		CCADLM
O=C([O-])CCCCNS(=O)(=O)CC(F)(F)F	ZINC000309633893	354186857	/nfs/dbraw/zinc/18/68/57/354186857.db2.gz	RWUDAJBURQEERJ-UHFFFAOYSA-N	-1	2	263.237	0.723	20	0		CCADLM
CC[C@@H](C)[C@H](NS(=O)(=O)CC(F)(F)F)C(=O)[O-]	ZINC000567800242	358587651	/nfs/dbraw/zinc/58/76/51/358587651.db2.gz	BKRVGOBGENACFS-RITPCOANSA-N	-1	2	277.264	0.967	20	0		CCADLM
Cc1ccc(O)c(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)n1	ZINC000329550149	202381292	/nfs/dbraw/zinc/38/12/92/202381292.db2.gz	FLCSXULBAJJFIW-JTQLQIEISA-N	-1	2	276.296	0.672	20	0		CCADLM
Cc1nsc(NC[C@@]2(C(=O)[O-])CCCOC2)n1	ZINC000630463620	370126487	/nfs/dbraw/zinc/12/64/87/370126487.db2.gz	OEKKVELLLHQISZ-JTQLQIEISA-N	-1	2	257.315	0.562	20	0		CCADLM
C[C@@H]1CN(C(=O)CCCc2nn[nH]n2)C[C@H](C)[N@H+]1C	ZINC000635968012	373173577	/nfs/dbraw/zinc/17/35/77/373173577.db2.gz	PNLRUHABINUUHD-AOOOYVTPSA-N	-1	2	266.349	0.073	20	0		CCADLM
Cc1oncc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000350300789	389503163	/nfs/dbraw/zinc/50/31/63/389503163.db2.gz	KTGKREANSYBWJS-UHFFFAOYSA-N	-1	2	271.254	0.810	20	0		CCADLM
CC(C)[C@H](NS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-]	ZINC000547599177	390385689	/nfs/dbraw/zinc/38/56/89/390385689.db2.gz	BHEXVNLEDRGBCE-RITPCOANSA-N	-1	2	277.264	0.966	20	0		CCADLM
N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)[C@H]1CCCS1(=O)=O	ZINC000572256315	390775240	/nfs/dbraw/zinc/77/52/40/390775240.db2.gz	IOVREQTWKFCXST-SECBINFHSA-N	-1	2	294.336	0.096	20	0		CCADLM
O=C([O-])[C@@H]1CN(C(=O)c2cc(F)c(O)c(F)c2)CCO1	ZINC000647219560	390792025	/nfs/dbraw/zinc/79/20/25/390792025.db2.gz	MRDJXBRPZOZGPD-VIFPVBQESA-N	-1	2	287.218	0.596	20	0		CCADLM
CC(C)(C)c1nc(=NC(=O)[C@@H]2C[C@H]2C(=O)[O-])s[nH]1	ZINC000649465761	397616552	/nfs/dbraw/zinc/61/65/52/397616552.db2.gz	GHOXZYVGFPZGJR-PHDIDXHHSA-N	-1	2	269.326	0.917	20	0		CCADLM
C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H](C(=O)[O-])C1CC1	ZINC000548216401	286017090	/nfs/dbraw/zinc/01/70/90/286017090.db2.gz	DNVWXXZATNXART-NJGYIYPDSA-N	-1	2	275.248	0.720	20	0		CCADLM
Cc1cc(=NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)[nH]nc1C	ZINC000417756454	301047028	/nfs/dbraw/zinc/04/70/28/301047028.db2.gz	SGNNEWCCPFOTLX-CYBMUJFWSA-N	-1	2	278.312	0.844	20	0		CCADLM
CCCc1n[n-]c(=NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])s1	ZINC000576488294	335210990	/nfs/dbraw/zinc/21/09/90/335210990.db2.gz	CZAMOHPDIRZSRJ-SECBINFHSA-N	-1	2	298.416	0.019	20	0		CCADLM
COCCN(CC(=O)[O-])C(=O)c1c(O)cc(F)cc1F	ZINC000739825082	581240269	/nfs/dbraw/zinc/24/02/69/581240269.db2.gz	AJZOCIIQBMTIMQ-UHFFFAOYSA-N	-1	2	289.234	0.844	20	0		CCADLM
C[N@H+]1CCO[C@H](C(=O)Nc2n[nH]c(-c3cccs3)n2)C1	ZINC000746211348	581901051	/nfs/dbraw/zinc/90/10/51/581901051.db2.gz	CVRUEUKEVZJPRD-QMMMGPOBSA-N	-1	2	293.352	0.802	20	0		CCADLM
CN(CC(=O)[O-])C(=O)CC[N@H+]1CCOC[C@@H]1c1ccco1	ZINC000737401489	581953091	/nfs/dbraw/zinc/95/30/91/581953091.db2.gz	PHARNBUICJMONV-LLVKDONJSA-N	-1	2	296.323	0.586	20	0		CCADLM
C[C@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1	ZINC000738994940	582096349	/nfs/dbraw/zinc/09/63/49/582096349.db2.gz	QKJTYHRSBNMAPK-LURJTMIESA-N	-1	2	292.251	0.625	20	0		CCADLM
N=C1NC(=O)[C@H](CC(=O)NC2(C(=O)[O-])CCCCC2)S1	ZINC000821357009	600864587	/nfs/dbraw/zinc/86/45/87/600864587.db2.gz	AKQOTPRUZIMQJI-ZETCQYMHSA-N	-1	2	299.352	0.447	20	0		CCADLM
Cc1ccc(C(=O)[O-])cc1NC(=O)NCc1n[nH]c(=O)[nH]1	ZINC000392307988	602309325	/nfs/dbraw/zinc/30/93/25/602309325.db2.gz	CVBCMRKRKZKQRF-UHFFFAOYSA-N	-1	2	291.267	0.839	20	0		CCADLM
O=C([O-])c1ccc(NC(=O)NCc2n[nH]c(=O)[nH]2)cc1	ZINC000392435157	602363074	/nfs/dbraw/zinc/36/30/74/602363074.db2.gz	KCOULFSVKWFFFF-UHFFFAOYSA-N	-1	2	277.240	0.530	20	0		CCADLM
O=C(C[C@H]1CCCN1C(=O)[O-])NCCCc1n[nH]c(=O)[nH]1	ZINC000831326448	603942574	/nfs/dbraw/zinc/94/25/74/603942574.db2.gz	JKCHZRBYCBLGJW-MRVPVSSYSA-N	-1	2	297.315	0.092	20	0		CCADLM
Cn1nccc1S(=O)(=O)Nc1ccc(C(=O)[O-])nc1	ZINC000124168132	605163544	/nfs/dbraw/zinc/16/35/44/605163544.db2.gz	HKDZMGYRRHPVSD-UHFFFAOYSA-N	-1	2	282.281	0.314	20	0		CCADLM
CC(C)OCCS(=O)(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000827033265	614023624	/nfs/dbraw/zinc/02/36/24/614023624.db2.gz	BQAQNMMETGHHIY-UHFFFAOYSA-N	-1	2	291.329	0.134	20	0		CCADLM
CCCCC[C@H](NC(=O)CCc1ncn[nH]1)C(=O)[O-]	ZINC000829320558	614937517	/nfs/dbraw/zinc/93/75/17/614937517.db2.gz	BVYPFPJFPBRRFG-VIFPVBQESA-N	-1	2	268.317	0.887	20	0		CCADLM
Cn1c[nH+]cc1COC(=O)c1cc(-c2nn[nH]n2)cn1C	ZINC000822704521	641696203	/nfs/dbraw/zinc/69/62/03/641696203.db2.gz	MHUSKMJSRYXIKT-UHFFFAOYSA-N	-1	2	287.283	0.296	20	0		CCADLM
COc1ccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c(Cl)c1O	ZINC001233397441	806056266	/nfs/dbraw/zinc/05/62/66/806056266.db2.gz	ADUBIEZRKHBKET-UWVGGRQHSA-N	-1	2	287.743	0.839	20	0		CCADLM
O=C(c1c[nH]c2cccnc2c1=O)N1CCC(O)CC1	ZINC001161187114	799812923	/nfs/dbraw/zinc/81/29/23/799812923.db2.gz	QXERWRMMPPDLIE-UHFFFAOYSA-N	-1	2	273.292	0.520	20	0		CCADLM
CN1CC[C@@H](Nc2ccc([P@@](=O)([O-])O)cc2)C1=O	ZINC001166694460	802941367	/nfs/dbraw/zinc/94/13/67/802941367.db2.gz	OWPDONWGYBDDQO-SNVBAGLBSA-N	-1	2	270.225	0.132	20	0		CCADLM
CN1CC[C@@H](Nc2ccc([P@](=O)([O-])O)cc2)C1=O	ZINC001166694460	802941371	/nfs/dbraw/zinc/94/13/71/802941371.db2.gz	OWPDONWGYBDDQO-SNVBAGLBSA-N	-1	2	270.225	0.132	20	0		CCADLM
[NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1cc2ccccc2s1	ZINC001218580468	804019314	/nfs/dbraw/zinc/01/93/14/804019314.db2.gz	DDFUTQZMKIJTCN-QMMMGPOBSA-N	-1	2	288.336	0.923	20	0		CCADLM
CCOc1ccc(C)cc1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1	ZINC001218851088	804139077	/nfs/dbraw/zinc/13/90/77/804139077.db2.gz	XHWFBPZZUBLZPE-VIFPVBQESA-N	-1	2	290.327	0.415	20	0		CCADLM
C[N@H+]1CCC[C@@H](NS(=O)(=O)c2nccs2)C1	ZINC001187908016	844795847	/nfs/dbraw/zinc/79/58/47/844795847.db2.gz	GOZAJAQEMIDHGH-MRVPVSSYSA-N	-1	2	261.372	0.516	20	0		CCADLM
CCOC(=O)[C@H](CC)[N@@H+]1CC[C@H](c2nn[nH]n2)C1	ZINC001197297559	846888857	/nfs/dbraw/zinc/88/88/57/846888857.db2.gz	QBGIYGWDMTYZLC-IUCAKERBSA-N	-1	2	253.306	0.331	20	0		CCADLM
COC[C@@H](NC(=O)c1cc(Cl)ccc1O)c1nn[n-]n1	ZINC001363438559	929234325	/nfs/dbraw/zinc/23/43/25/929234325.db2.gz	UHMPNEMAMVHJNS-MRVPVSSYSA-N	-1	2	297.702	0.676	20	0		CCADLM
O=C([O-])CCCC(=O)NNC(=O)c1ccccn1	ZINC000016482119	948787009	/nfs/dbraw/zinc/78/70/09/948787009.db2.gz	HWGWPIJPXNALND-UHFFFAOYSA-N	-1	2	251.242	0.098	20	0		CCADLM
C[C@@]1(C(=O)[O-])CCCN1C(=O)C[C@@H]1SC(=N)NC1=O	ZINC001589183455	956546935	/nfs/dbraw/zinc/54/69/35/956546935.db2.gz	CHJLLQFMXLZNDZ-KGFZYKRKSA-N	-1	2	285.325	0.009	20	0		CCADLM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C[C@H]2SC(=N)NC2=O)C1	ZINC001603359820	972814859	/nfs/dbraw/zinc/81/48/59/972814859.db2.gz	BEQJZXDNRUSWNQ-GJMOJQLCSA-N	-1	2	299.352	0.112	20	0		CCADLM
O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC001606399937	973851002	/nfs/dbraw/zinc/85/10/02/973851002.db2.gz	CPBNBPQWERIIGC-DJLDLDEBSA-N	-1	2	294.311	0.327	20	0		CCADLM
O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(F)C(F)(F)F)C2	ZINC001605660949	974064436	/nfs/dbraw/zinc/06/44/36/974064436.db2.gz	XYCGRLXJVVCLPD-HCVRKRLWSA-N	-1	2	285.193	0.446	20	0		CCADLM
O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C2	ZINC001605660949	974064442	/nfs/dbraw/zinc/06/44/42/974064442.db2.gz	XYCGRLXJVVCLPD-HCVRKRLWSA-N	-1	2	285.193	0.446	20	0		CCADLM
CO[C@@]1(C)C[C@H]([N@H+](C)Cc2nc(=O)n(C)[nH]2)C1(C)C	ZINC000408151963	357941988	/nfs/dbraw/zinc/94/19/88/357941988.db2.gz	YWHFDXLXPXVLMV-ZANVPECISA-N	-1	2	268.361	0.744	20	0		CCADLM
O=c1[nH]nc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[nH]1	ZINC000329272295	202260677	/nfs/dbraw/zinc/26/06/77/202260677.db2.gz	HUVCELWLNRNZIP-CMPLNLGQSA-N	-1	2	277.372	0.959	20	0		CCADLM
COCCc1nsc(N[C@@H]2CC[C@H](C(=O)[O-])C2)n1	ZINC000572367610	291874965	/nfs/dbraw/zinc/87/49/65/291874965.db2.gz	BOHMPVXGLCXPQT-JGVFFNPUSA-N	-1	2	271.342	0.814	20	0		CCADLM
CN(C[C@H]1CCC[N@@H+]1C)C(=O)N=c1nc2n([nH]1)CCCC2	ZINC000333828494	389445865	/nfs/dbraw/zinc/44/58/65/389445865.db2.gz	IYLGDMASYXWCBW-LLVKDONJSA-N	-1	2	292.387	0.594	20	0		CCADLM
Cc1nc(CN2CC[NH+](Cc3ncccc3O)CC2)no1	ZINC000579774851	390207709	/nfs/dbraw/zinc/20/77/09/390207709.db2.gz	PFNFOBWZVJPWHF-UHFFFAOYSA-N	-1	2	289.339	0.796	20	0		CCADLM
COCCOC[C@H](C)NC(=O)c1cccc2[nH]nnc21	ZINC000526115224	390677071	/nfs/dbraw/zinc/67/70/71/390677071.db2.gz	KCUBOVBINWZEAX-VIFPVBQESA-N	-1	2	278.312	0.739	20	0		CCADLM
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC(F)(F)F	ZINC000571638553	390745958	/nfs/dbraw/zinc/74/59/58/390745958.db2.gz	IDDKFXLNRQZWKA-RITPCOANSA-N	-1	2	275.248	0.721	20	0		CCADLM
CN(CC(C)(C)C)C(=O)NC[C@@H](CC(=O)[O-])C(=O)O	ZINC000549017583	286084248	/nfs/dbraw/zinc/08/42/48/286084248.db2.gz	SWLRRWBQLYXIJS-MRVPVSSYSA-N	-1	2	274.317	0.849	20	0		CCADLM
CC(C)[C@@H](CNC(=O)N=c1cccn[nH]1)C(=O)[O-]	ZINC000653540752	412312350	/nfs/dbraw/zinc/31/23/50/412312350.db2.gz	SFWSIZOHEVKFEZ-MRVPVSSYSA-N	-1	2	252.274	0.377	20	0		CCADLM
Cc1[nH]nc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c1O	ZINC000676699635	545349178	/nfs/dbraw/zinc/34/91/78/545349178.db2.gz	PRORNVXMERBRNR-VIFPVBQESA-N	-1	2	252.318	0.590	20	0		CCADLM
CN(CCC(=O)[O-])C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1	ZINC000737991877	581136393	/nfs/dbraw/zinc/13/63/93/581136393.db2.gz	QHRUHBZNHTWHPQ-UHFFFAOYSA-N	-1	2	291.263	0.577	20	0		CCADLM
O=C([O-])NCC(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1	ZINC000738654894	582068881	/nfs/dbraw/zinc/06/88/81/582068881.db2.gz	WFJGCCFDXIBNQE-UHFFFAOYSA-N	-1	2	278.224	0.236	20	0		CCADLM
Cc1cccnc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000020213617	600829056	/nfs/dbraw/zinc/82/90/56/600829056.db2.gz	JGFHNXYDRPDWPT-UHFFFAOYSA-N	-1	2	295.320	0.649	20	0		CCADLM
Cc1n[nH]c(SCC(=O)NC[C@@H]2CCCN2C(=O)[O-])n1	ZINC000830677484	603772148	/nfs/dbraw/zinc/77/21/48/603772148.db2.gz	GVMCGSIPJLVKKP-QMMMGPOBSA-N	-1	2	299.356	0.464	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N[C@H](CNC(=O)[O-])C2CC2)n1	ZINC000830678040	603834296	/nfs/dbraw/zinc/83/42/96/603834296.db2.gz	LQGVQBQLUVOVMQ-MRVPVSSYSA-N	-1	2	299.356	0.368	20	0		CCADLM
CSCC[C@H](NC(=O)[C@@H](C)[NH+](C)C)c1nn[nH]n1	ZINC000912863247	617245188	/nfs/dbraw/zinc/24/51/88/617245188.db2.gz	PZMKZENYAIZWRG-SFYZADRCSA-N	-1	2	272.378	0.060	20	0		CCADLM
CN(C(=O)c1ccccc1O)[C@@H]1CC[N@H+]2CCO[C@H]1C2	ZINC000295418868	615906536	/nfs/dbraw/zinc/90/65/36/615906536.db2.gz	PKJHNCSSLVAFGB-OCCSQVGLSA-N	-1	2	276.336	0.937	20	0		CCADLM
C[N@H+](CC(=O)NCCCc1n[nH]c(=O)[nH]1)CC(C)(C)C	ZINC000896770554	616047186	/nfs/dbraw/zinc/04/71/86/616047186.db2.gz	OVBICGPBYOTDSI-UHFFFAOYSA-N	-1	2	283.376	0.537	20	0		CCADLM
C[C@@H]1CCN(C(=O)NCc2cn(C)cn2)[C@@H](C(=O)[O-])C1	ZINC000900308714	633987630	/nfs/dbraw/zinc/98/76/30/633987630.db2.gz	MRAQWOXKTFIAKS-MWLCHTKSSA-N	-1	2	280.328	0.815	20	0		CCADLM
C[C@@H](C(=O)[O-])N(C(=O)NCc1cn(C)cn1)C1CCC1	ZINC000900308464	633987802	/nfs/dbraw/zinc/98/78/02/633987802.db2.gz	IOBDLDSBHQEXAN-VIFPVBQESA-N	-1	2	280.328	0.957	20	0		CCADLM
O=C([O-])c1ccc(N2CCOC[C@@H]2C(=O)[O-])[nH+]c1	ZINC000900943518	634132038	/nfs/dbraw/zinc/13/20/38/634132038.db2.gz	DADKCRPCHDJHQN-MRVPVSSYSA-N	-1	2	252.226	0.070	20	0		CCADLM
O=C(Nn1c(=O)[n-][nH]c1=O)c1csc(-c2ccoc2)n1	ZINC000816731716	641204675	/nfs/dbraw/zinc/20/46/75/641204675.db2.gz	BTBYKYRLUFJSIU-UHFFFAOYSA-N	-1	2	293.264	0.790	20	0		CCADLM
O=[P@@]([O-])(O)Oc1ccc(OC[C@@H]2COCO2)cc1	ZINC001234333487	806223871	/nfs/dbraw/zinc/22/38/71/806223871.db2.gz	WOMAPCNCOLQWHB-JTQLQIEISA-N	-1	2	276.181	0.910	20	0		CCADLM
O=[P@]([O-])(O)Oc1ccc(OC[C@@H]2COCO2)cc1	ZINC001234333487	806223880	/nfs/dbraw/zinc/22/38/80/806223880.db2.gz	WOMAPCNCOLQWHB-JTQLQIEISA-N	-1	2	276.181	0.910	20	0		CCADLM
O=C(c1c[nH]c2ncccc12)N1CC[C@H](c2nnn[n-]2)C1	ZINC001153002870	800580168	/nfs/dbraw/zinc/58/01/68/800580168.db2.gz	XWHIAODVJNWIGN-QMMMGPOBSA-N	-1	2	283.295	0.706	20	0		CCADLM
O=C(c1c[nH]c2ncccc12)N1CC[C@H](c2nn[n-]n2)C1	ZINC001153002870	800580172	/nfs/dbraw/zinc/58/01/72/800580172.db2.gz	XWHIAODVJNWIGN-QMMMGPOBSA-N	-1	2	283.295	0.706	20	0		CCADLM
O=S(=O)(CC(F)(F)F)NCCC[NH+]1CCCC1	ZINC000355563682	808736037	/nfs/dbraw/zinc/73/60/37/808736037.db2.gz	PPVNUKAJUZLXRM-UHFFFAOYSA-N	-1	2	274.308	0.954	20	0		CCADLM
CC(C)OCCS(=O)(=O)Nc1cc(C(=O)[O-])n(C)n1	ZINC000725224256	811275569	/nfs/dbraw/zinc/27/55/69/811275569.db2.gz	SGGJFMQCXGRMSB-UHFFFAOYSA-N	-1	2	291.329	0.285	20	0		CCADLM
Cc1n[nH]c(NC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)n1	ZINC000740224460	820212088	/nfs/dbraw/zinc/21/20/88/820212088.db2.gz	ZYHPOKYMEIAJJA-HTQZYQBOSA-N	-1	2	267.289	0.878	20	0		CCADLM
CCOC(=O)c1nnsc1Nc1cnn(CC(=O)[O-])c1	ZINC001176267883	842348828	/nfs/dbraw/zinc/34/88/28/842348828.db2.gz	VUPGUDFJCVDVGX-UHFFFAOYSA-N	-1	2	297.296	0.740	20	0		CCADLM
Cc1cccc(NCCNC(=O)CCc2nn[nH]n2)[nH+]1	ZINC001178608767	842884907	/nfs/dbraw/zinc/88/49/07/842884907.db2.gz	DMTAEWKDHCQPCX-UHFFFAOYSA-N	-1	2	275.316	0.064	20	0		CCADLM
N=C(NC(=O)C(F)(F)C(F)(F)C(=O)[O-])c1nccs1	ZINC001180176678	843110975	/nfs/dbraw/zinc/11/09/75/843110975.db2.gz	KOJKZORRXRHQIS-UHFFFAOYSA-N	-1	2	299.205	0.940	20	0		CCADLM
CSc1cc(C)c(C(=O)Nn2c(=O)[n-][nH]c2=O)o1	ZINC001412179569	901530795	/nfs/dbraw/zinc/53/07/95/901530795.db2.gz	IFJGMBDFOSBRSK-UHFFFAOYSA-N	-1	2	270.270	0.697	20	0		CCADLM
Cc1ccc2nc(CNC(=O)CCc3nn[nH]n3)[nH]c2c1	ZINC001294205124	906570832	/nfs/dbraw/zinc/57/08/32/906570832.db2.gz	QTYHEZDMUFYDMI-UHFFFAOYSA-N	-1	2	285.311	0.633	20	0		CCADLM
O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc(O)c(Cl)c1	ZINC001417884342	921679467	/nfs/dbraw/zinc/67/94/67/921679467.db2.gz	UJYGPRHLNYGZFS-UHFFFAOYSA-N	-1	2	270.632	0.432	20	0		CCADLM
O=C([O-])[C@H]1CN(C(=O)C(F)C(F)(F)F)CCO1	ZINC001594941590	954901243	/nfs/dbraw/zinc/90/12/43/954901243.db2.gz	VPWUHQGOASXIAP-RFZPGFLSSA-N	-1	2	259.155	0.199	20	0		CCADLM
O=C([O-])[C@H]1CN(C(=O)[C@@H](F)C(F)(F)F)CCO1	ZINC001594941590	954901249	/nfs/dbraw/zinc/90/12/49/954901249.db2.gz	VPWUHQGOASXIAP-RFZPGFLSSA-N	-1	2	259.155	0.199	20	0		CCADLM
COC(=O)CCCONC(=O)[C@@H](C(=O)[O-])C(C)(C)C	ZINC001593834059	955174957	/nfs/dbraw/zinc/17/49/57/955174957.db2.gz	HCIQVDMQPLAUQZ-VIFPVBQESA-N	-1	2	275.301	0.734	20	0		CCADLM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCCc1n[nH]c(=S)o1	ZINC001594226091	959426993	/nfs/dbraw/zinc/42/69/93/959426993.db2.gz	IDMALTUDIYCZGQ-FWOIEVBISA-N	-1	2	271.298	0.128	20	0		CCADLM
C[C@@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])C1=NN(C)CC1=O	ZINC001573622225	959518737	/nfs/dbraw/zinc/51/87/37/959518737.db2.gz	GKJJGTXFQLHYAQ-BWZBUEFSSA-N	-1	2	267.285	0.414	20	0		CCADLM
C[C@@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1nn(C)cc1O	ZINC001573622225	959518745	/nfs/dbraw/zinc/51/87/45/959518745.db2.gz	GKJJGTXFQLHYAQ-BWZBUEFSSA-N	-1	2	267.285	0.414	20	0		CCADLM
Cn1nnc2c1CC[C@@H](NC(=O)c1cccc3[nH]nnc31)C2	ZINC000655302685	412537352	/nfs/dbraw/zinc/53/73/52/412537352.db2.gz	NTBOCCTWMWMSLS-MRVPVSSYSA-N	-1	2	297.322	0.374	20	0		CCADLM
CCn1cc(CNC(=O)c2cccc3[nH]nnc32)nn1	ZINC000618152228	365906590	/nfs/dbraw/zinc/90/65/90/365906590.db2.gz	CJHPLHFIHYJHDF-UHFFFAOYSA-N	-1	2	271.284	0.499	20	0		CCADLM
Cn1nccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O	ZINC000135476085	350397593	/nfs/dbraw/zinc/39/75/93/350397593.db2.gz	BBPHSJAIPJDSHV-UHFFFAOYSA-N	-1	2	297.292	0.625	20	0		CCADLM
O=C([O-])c1cccc(S(=O)(=O)Nc2cncnc2)c1	ZINC000231773369	352134010	/nfs/dbraw/zinc/13/40/10/352134010.db2.gz	QMSPBIOHDMYWMA-UHFFFAOYSA-N	-1	2	279.277	0.976	20	0		CCADLM
COCCn1cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cn1	ZINC000329551607	202380571	/nfs/dbraw/zinc/38/05/71/202380571.db2.gz	FYJLVBCXPDAHHM-LLVKDONJSA-N	-1	2	293.327	0.106	20	0		CCADLM
CC[C@H]1C[N@H+](C)CCCN1C(=O)CSc1n[nH]c(=O)[nH]1	ZINC000614342905	364577352	/nfs/dbraw/zinc/57/73/52/364577352.db2.gz	QJNGEBDTTGRAFE-VIFPVBQESA-N	-1	2	299.400	0.545	20	0		CCADLM
CC[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2nn[nH]n2)C1	ZINC000574256591	335004506	/nfs/dbraw/zinc/00/45/06/335004506.db2.gz	JOCYCSJQZSJIME-DTWKUNHWSA-N	-1	2	252.322	0.649	20	0		CCADLM
CC[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2nn[nH]n2)C1	ZINC000574256591	335004507	/nfs/dbraw/zinc/00/45/07/335004507.db2.gz	JOCYCSJQZSJIME-DTWKUNHWSA-N	-1	2	252.322	0.649	20	0		CCADLM
CC(=O)N[C@@H]1C(C)=NN(c2cccc(C(=O)[O-])c2C)C1=O	ZINC000634632862	372108744	/nfs/dbraw/zinc/10/87/44/372108744.db2.gz	CPJWFHZRZPZEEG-GFCCVEGCSA-N	-1	2	289.291	0.920	20	0		CCADLM
O=C([O-])CCC(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC000572403365	291877089	/nfs/dbraw/zinc/87/70/89/291877089.db2.gz	GILCQLUOBSMVRJ-SSDOTTSWSA-N	-1	2	268.273	0.081	20	0		CCADLM
CCc1cc(C(=O)N(CC)CCC(=O)[O-])cc(=O)[nH]1	ZINC000190698407	388997868	/nfs/dbraw/zinc/99/78/68/388997868.db2.gz	RMTKFEWCMNTYGG-UHFFFAOYSA-N	-1	2	266.297	0.874	20	0		CCADLM
CCC(C)(C)NC(=O)CS(=O)(=O)c1n[n-]c(=N)s1	ZINC000350149709	389492423	/nfs/dbraw/zinc/49/24/23/389492423.db2.gz	VKAMRLKJHIETHL-UHFFFAOYSA-N	-1	2	292.386	0.029	20	0		CCADLM
CN1CC[N@H+](Cc2nc(=O)[nH][nH]2)Cc2ccccc21	ZINC000271636447	389443728	/nfs/dbraw/zinc/44/37/28/389443728.db2.gz	QFXQPTCEWAJGMO-UHFFFAOYSA-N	-1	2	259.313	0.550	20	0		CCADLM
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cccc2[nH]nnc21	ZINC000182748496	389716380	/nfs/dbraw/zinc/71/63/80/389716380.db2.gz	ZGMXQSUOOZWXSV-BDAKNGLRSA-N	-1	2	289.339	0.991	20	0		CCADLM
O=c1[nH]nc(CN=c2[n-]nc(C3CCOCC3)s2)[nH]1	ZINC000645037852	390365101	/nfs/dbraw/zinc/36/51/01/390365101.db2.gz	YIXIVHUZFLCXKA-UHFFFAOYSA-N	-1	2	282.329	0.290	20	0		CCADLM
C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2cccc3[nH]nnc32)CC1=O	ZINC000526115395	390677506	/nfs/dbraw/zinc/67/75/06/390677506.db2.gz	ADYMAOKPKJPFJR-VDDIYKPWSA-N	-1	2	299.334	0.697	20	0		CCADLM
O=c1[nH]nc([C@@H]2CCC[N@@H+](C[C@@H](O)CC3(O)CCC3)C2)o1	ZINC000528497813	390750872	/nfs/dbraw/zinc/75/08/72/390750872.db2.gz	SKXJMAVKNXNJSK-MNOVXSKESA-N	-1	2	297.355	0.621	20	0		CCADLM
O=C([O-])[C@]1(NC(=O)c2cc(F)c(O)c(F)c2)CCOC1	ZINC000663130617	415000251	/nfs/dbraw/zinc/00/02/51/415000251.db2.gz	KUJYUCNUUIPVMG-LBPRGKRZSA-N	-1	2	287.218	0.644	20	0		CCADLM
O=C([O-])c1cccc(N2CCO[C@@H](C(=O)[O-])C2)[nH+]1	ZINC000668131360	545165030	/nfs/dbraw/zinc/16/50/30/545165030.db2.gz	RKTBFTQOCXQHDN-MRVPVSSYSA-N	-1	2	252.226	0.070	20	0		CCADLM
O=C([O-])C[C@@H](NC(=O)C1=NNC(=O)C1)c1ccc(F)cc1	ZINC000738563935	581543625	/nfs/dbraw/zinc/54/36/25/581543625.db2.gz	PIDIWEKFFDJZKL-SECBINFHSA-N	-1	2	293.254	0.334	20	0		CCADLM
O=C(NC[C@@H]1CC[C@H](O)C1)c1cccc2[nH]nnc21	ZINC000191314095	581987355	/nfs/dbraw/zinc/98/73/55/581987355.db2.gz	UHFRELNBKFOFQR-BDAKNGLRSA-N	-1	2	260.297	0.849	20	0		CCADLM
O=C(NC[C@@H]1CC[C@@H](O)C1)c1cccc2[nH]nnc21	ZINC000191314128	581987423	/nfs/dbraw/zinc/98/74/23/581987423.db2.gz	UHFRELNBKFOFQR-RKDXNWHRSA-N	-1	2	260.297	0.849	20	0		CCADLM
Cc1nonc1C(=O)Nc1nnc(CCC(=O)[O-])s1	ZINC000738957610	582093886	/nfs/dbraw/zinc/09/38/86/582093886.db2.gz	UYEWWZVBCLLBMJ-UHFFFAOYSA-N	-1	2	283.269	0.499	20	0		CCADLM
O=C([O-])Nc1ccccc1C(=O)OCc1n[nH]c(=O)[nH]1	ZINC000834270071	605956211	/nfs/dbraw/zinc/95/62/11/605956211.db2.gz	JMXFTJGVTYFTSV-UHFFFAOYSA-N	-1	2	278.224	0.957	20	0		CCADLM
CC(C)N(CCC(=O)[O-])C(=O)C[C@@H]1SC(=N)NC1=O	ZINC000826940361	614290910	/nfs/dbraw/zinc/29/09/10/614290910.db2.gz	MUJNPJWAGXHJBM-ZETCQYMHSA-N	-1	2	287.341	0.255	20	0		CCADLM
CCC[C@](C)(NC(=O)C[C@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC000829193651	614447507	/nfs/dbraw/zinc/44/75/07/614447507.db2.gz	CHBMBDVXLWYDTD-KBUNVGBDSA-N	-1	2	287.341	0.302	20	0		CCADLM
CCc1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)oc1CC	ZINC000854613408	615635941	/nfs/dbraw/zinc/63/59/41/615635941.db2.gz	QEMMJFOXDVLVAS-UHFFFAOYSA-N	-1	2	266.257	0.791	20	0		CCADLM
C[C@@H]1[C@H](NC(=O)c2ccccc2O)CCC[N@@H+]1CC(N)=O	ZINC000993078493	637685670	/nfs/dbraw/zinc/68/56/70/637685670.db2.gz	ZALDCDHQQKKEJL-ZYHUDNBSSA-N	-1	2	291.351	0.460	20	0		CCADLM
C[C@H](C(F)(F)F)S(=O)(=O)NCC1(C(=O)[O-])CC1	ZINC000837293872	642734160	/nfs/dbraw/zinc/73/41/60/642734160.db2.gz	WFVXBUULKFLVOH-RXMQYKEDSA-N	-1	2	275.248	0.721	20	0		CCADLM
O=C(NOCCN1CCCC1=O)[C@@H]1CCc2[nH+]ccn2C1	ZINC000856039441	644382843	/nfs/dbraw/zinc/38/28/43/644382843.db2.gz	UZYWWSSSIUNPNL-LLVKDONJSA-N	-1	2	292.339	0.116	20	0		CCADLM
Cn1cc[nH+]c1CCC(=O)NOCCN1CCCC1=O	ZINC001123833376	799482914	/nfs/dbraw/zinc/48/29/14/799482914.db2.gz	FEJRXGLYXDJCKW-UHFFFAOYSA-N	-1	2	280.328	0.023	20	0		CCADLM
O=[P@]([O-])(O)c1ccc(-c2cnc(NCCO)nc2)cc1	ZINC001242835325	807018503	/nfs/dbraw/zinc/01/85/03/807018503.db2.gz	FCOWVBFUZGOFLC-UHFFFAOYSA-N	-1	2	295.235	0.351	20	0		CCADLM
O=[P@@]([O-])(O)c1ccc(-c2cnc(NCCO)nc2)cc1	ZINC001242835325	807018507	/nfs/dbraw/zinc/01/85/07/807018507.db2.gz	FCOWVBFUZGOFLC-UHFFFAOYSA-N	-1	2	295.235	0.351	20	0		CCADLM
O=C(NCCCc1cc(=O)[nH][nH]1)[C@H]1CCn2c[nH+]cc2C1	ZINC001261741919	809071873	/nfs/dbraw/zinc/07/18/73/809071873.db2.gz	GIFPWAOHBULUEM-JTQLQIEISA-N	-1	2	289.339	0.218	20	0		CCADLM
Cn1cc[nH+]c1CCNS(=O)(=O)c1ccco1	ZINC001186887155	844611851	/nfs/dbraw/zinc/61/18/51/844611851.db2.gz	RQIWUJFRZXZLEC-UHFFFAOYSA-N	-1	2	255.299	0.534	20	0		CCADLM
Nc1cccc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)c1	ZINC001176269906	842348648	/nfs/dbraw/zinc/34/86/48/842348648.db2.gz	NFRAZEXLXJJMJS-UHFFFAOYSA-N	-1	2	296.308	0.351	20	0		CCADLM
O=C([N-][C@@H]1SC(=O)NC1=O)C(F)(F)C(F)(F)Cl	ZINC001179779666	843045408	/nfs/dbraw/zinc/04/54/08/843045408.db2.gz	HJTMOVOPFFMBTR-UWTATZPHSA-N	-1	2	294.613	0.879	20	0		CCADLM
O=C(N[C@@H]1SC(=O)NC1=O)c1ccc(F)c(F)c1[O-]	ZINC001192811806	845914263	/nfs/dbraw/zinc/91/42/63/845914263.db2.gz	VMIQFRKUGCYPLR-SECBINFHSA-N	-1	2	288.231	0.709	20	0		CCADLM
C=CS(=O)(=O)[N-]c1cccc2c(=O)[nH][nH]c(=O)c12	ZINC001198609330	847139704	/nfs/dbraw/zinc/13/97/04/847139704.db2.gz	YHSSFSKXPWQOKR-UHFFFAOYSA-N	-1	2	267.266	0.926	20	0		CCADLM
Cc1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)nc2ccccc12	ZINC001328372616	915147326	/nfs/dbraw/zinc/14/73/26/915147326.db2.gz	KCYDKHICPRTVSB-UHFFFAOYSA-N	-1	2	285.263	0.930	20	0		CCADLM
COC[C@@H](NC(=O)c1c(O)cccc1Cl)c1nn[n-]n1	ZINC001419551913	922910718	/nfs/dbraw/zinc/91/07/18/922910718.db2.gz	IYARUTAMLMQIEB-SSDOTTSWSA-N	-1	2	297.702	0.676	20	0		CCADLM
C[C@@H](CNC(=O)CC1CCCC1)[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001480418713	925657539	/nfs/dbraw/zinc/65/75/39/925657539.db2.gz	PODYSFXQCBQNKO-JTQLQIEISA-N	-1	2	295.387	0.283	20	0		CCADLM
CC(C)(C)[C@@H](C(=O)[O-])C(=O)NOC1CCOCC1	ZINC001602852718	971691849	/nfs/dbraw/zinc/69/18/49/971691849.db2.gz	DSNCNJVHWRUIPF-SECBINFHSA-N	-1	2	259.302	0.960	20	0		CCADLM
O=C([O-])C1(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)CC1	ZINC001594847492	954156101	/nfs/dbraw/zinc/15/61/01/954156101.db2.gz	KRGAQFHVEXRFGF-UHFFFAOYSA-N	-1	2	280.284	0.081	20	0		CCADLM
N=C1NC(=O)C(CC(=O)Nc2cc(C(=O)[O-])ccn2)S1	ZINC001594654690	956498074	/nfs/dbraw/zinc/49/80/74/956498074.db2.gz	VMOQTXPMGXEBAF-ZCFIWIBFSA-N	-1	2	294.292	0.275	20	0		CCADLM
CCOCCONC(=O)[C@@H](C(=O)[O-])C1CCCC1	ZINC001603842510	974343726	/nfs/dbraw/zinc/34/37/26/974343726.db2.gz	VUAKIXYDHIYHMA-JTQLQIEISA-N	-1	2	259.302	0.962	20	0		CCADLM
CCOCCONC(=O)[C@H](C(=O)[O-])C1CCCC1	ZINC001603842511	974343863	/nfs/dbraw/zinc/34/38/63/974343863.db2.gz	VUAKIXYDHIYHMA-SNVBAGLBSA-N	-1	2	259.302	0.962	20	0		CCADLM
C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@@H](C(=O)[O-])O1	ZINC001599853070	989044885	/nfs/dbraw/zinc/04/48/85/989044885.db2.gz	VLVIGJYAGKBJNT-NGJCXOISSA-N	-1	2	273.182	0.587	20	0		CCADLM
C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@@H](C(=O)[O-])O1	ZINC001599853070	989044896	/nfs/dbraw/zinc/04/48/96/989044896.db2.gz	VLVIGJYAGKBJNT-NGJCXOISSA-N	-1	2	273.182	0.587	20	0		CCADLM
C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])C1=NN(C)CC1=O	ZINC001593140021	993919364	/nfs/dbraw/zinc/91/93/64/993919364.db2.gz	DIVMHIJBYFTQSW-LYFYHCNISA-N	-1	2	253.258	0.024	20	0		CCADLM
C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1nn(C)cc1O	ZINC001593140021	993919373	/nfs/dbraw/zinc/91/93/73/993919373.db2.gz	DIVMHIJBYFTQSW-LYFYHCNISA-N	-1	2	253.258	0.024	20	0		CCADLM
Cc1ncc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cn1	ZINC000343276037	137123950	/nfs/dbraw/zinc/12/39/50/137123950.db2.gz	PEQRIJULJUWBOZ-UHFFFAOYSA-N	-1	2	296.308	0.623	20	0		CCADLM
Cn1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)n1	ZINC000070156545	348874520	/nfs/dbraw/zinc/87/45/20/348874520.db2.gz	ANXDBOZTZSFBAN-UHFFFAOYSA-N	-1	2	287.322	0.981	20	0		CCADLM
O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1cccc2[nH]nnc21	ZINC000558723299	291071079	/nfs/dbraw/zinc/07/10/79/291071079.db2.gz	URCKWFDOAMAFHO-NEPJUHHUSA-N	-1	2	299.334	0.841	20	0		CCADLM
CNC(=O)C(C)(C)CNC(=O)c1cccc2[nH]nnc21	ZINC000188590749	388934425	/nfs/dbraw/zinc/93/44/25/388934425.db2.gz	XIDBUGJEOHGTKI-UHFFFAOYSA-N	-1	2	275.312	0.460	20	0		CCADLM
COCC[C@H](NC(=O)c1cccc2[nH]nnc21)C(=O)OC	ZINC000519680178	390528033	/nfs/dbraw/zinc/52/80/33/390528033.db2.gz	DQQBORAMGUTLAW-JTQLQIEISA-N	-1	2	292.295	0.266	20	0		CCADLM
C[NH+](C)[C@@H](CN=c1nc2[nH][nH]cc-2c(N)n1)c1ccco1	ZINC000341912965	130125707	/nfs/dbraw/zinc/12/57/07/130125707.db2.gz	AEVDJEZFSJFPAV-VIFPVBQESA-N	-1	2	287.327	0.447	20	0		CCADLM
O=C(NCC[C@]1(O)CCCOC1)c1cccc2[nH]nnc21	ZINC000652951271	412173636	/nfs/dbraw/zinc/17/36/36/412173636.db2.gz	QWQTWHRZTCUZFV-CQSZACIVSA-N	-1	2	290.323	0.619	20	0		CCADLM
C[C@@H](O)CN1CC[N@H+](Cc2ncccc2O)[C@@H](C)C1	ZINC000582872080	329278953	/nfs/dbraw/zinc/27/89/53/329278953.db2.gz	TUFCWTJOJBNGSQ-NWDGAFQWSA-N	-1	2	265.357	0.674	20	0		CCADLM
CSc1nc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)n[nH]1	ZINC000682483459	545480398	/nfs/dbraw/zinc/48/03/98/545480398.db2.gz	JZQHFCUACMNLAV-ZETCQYMHSA-N	-1	2	278.341	0.924	20	0		CCADLM
Cc1n[nH]c(C(=O)N[C@@H](c2nn[nH]n2)c2ccccc2)c1[O-]	ZINC000749207570	581999518	/nfs/dbraw/zinc/99/95/18/581999518.db2.gz	HNJWBYDDTMTTLD-SECBINFHSA-N	-1	2	299.294	0.456	20	0		CCADLM
Cc1cc(NC(=O)CC2SC(=N)NC2=O)c(C(=O)[O-])[nH]1	ZINC000832893502	600880263	/nfs/dbraw/zinc/88/02/63/600880263.db2.gz	ONUWPIWPSRBJMJ-LURJTMIESA-N	-1	2	296.308	0.516	20	0		CCADLM
O=C([O-])[C@@]1(F)CC[N@H+](Cc2cc(=O)n3[n-]ccc3n2)C1	ZINC000833174810	601557484	/nfs/dbraw/zinc/55/74/84/601557484.db2.gz	JWESBICNNDZQDL-GFCCVEGCSA-N	-1	2	280.259	0.021	20	0		CCADLM
O=C([O-])[C@@]1(F)CC[N@@H+](Cc2cc(=O)n3[n-]ccc3n2)C1	ZINC000833174810	601557485	/nfs/dbraw/zinc/55/74/85/601557485.db2.gz	JWESBICNNDZQDL-GFCCVEGCSA-N	-1	2	280.259	0.021	20	0		CCADLM
O=C([O-])N[C@@H](C(=O)OCc1n[nH]c(=O)[nH]1)c1ccccc1	ZINC000834250473	605955387	/nfs/dbraw/zinc/95/53/87/605955387.db2.gz	HSBKAQHGYOVDRP-SECBINFHSA-N	-1	2	292.251	0.562	20	0		CCADLM
CC(C)[C@@H](CO)ONC(=O)[C@@H]1CCc2[nH+]ccn2C1	ZINC000854829541	614104497	/nfs/dbraw/zinc/10/44/97/614104497.db2.gz	FLFRHWAHYRFAPJ-GHMZBOCLSA-N	-1	2	267.329	0.510	20	0		CCADLM
Cc1nc2ccccn2c1CNC(=O)N[C@H](CF)C(=O)[O-]	ZINC000900311090	633987823	/nfs/dbraw/zinc/98/78/23/633987823.db2.gz	QYQPLNXWTWDINU-SECBINFHSA-N	-1	2	294.286	0.865	20	0		CCADLM
COc1ncc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C)s1	ZINC000913971189	637478267	/nfs/dbraw/zinc/47/82/67/637478267.db2.gz	YUPMMPAYGXFVKX-MRVPVSSYSA-N	-1	2	291.398	0.524	20	0		CCADLM
O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cccc(F)c1O	ZINC000935844060	649266219	/nfs/dbraw/zinc/26/62/19/649266219.db2.gz	YYBANDXAIHFFJD-NSHDSACASA-N	-1	2	293.342	0.651	20	0		CCADLM
CC[C@H](C)C(=O)NCCC[N@H+](C)Cc1nc(=O)n(C)[nH]1	ZINC001234116322	806185608	/nfs/dbraw/zinc/18/56/08/806185608.db2.gz	VJSUDUWYYRUATP-JTQLQIEISA-N	-1	2	283.376	0.093	20	0		CCADLM
COC[C@@H]1COCC[N@@H+]1Cc1c(CO)cnc(C)c1O	ZINC001140871598	799955119	/nfs/dbraw/zinc/95/51/19/799955119.db2.gz	VZKWGQSXSCOOAM-GFCCVEGCSA-N	-1	2	282.340	0.435	20	0		CCADLM
CC[N@@H+](Cc1nc(=O)n(C)[nH]1)[C@H](C)CNC(=O)[C@H]1C[C@@H]1C	ZINC001154665222	800825729	/nfs/dbraw/zinc/82/57/29/800825729.db2.gz	AHEIIESZXLURTR-AXFHLTTASA-N	-1	2	295.387	0.091	20	0		CCADLM
CCOC(=O)C=C(N)Nc1ccc([P@@](=O)([O-])O)cc1	ZINC001163449089	802559380	/nfs/dbraw/zinc/55/93/80/802559380.db2.gz	NKABIHOGRIZITR-UHFFFAOYSA-N	-1	2	286.224	0.832	20	0		CCADLM
CCOC(=O)C=C(N)Nc1ccc([P@](=O)([O-])O)cc1	ZINC001163449089	802559383	/nfs/dbraw/zinc/55/93/83/802559383.db2.gz	NKABIHOGRIZITR-UHFFFAOYSA-N	-1	2	286.224	0.832	20	0		CCADLM
COc1ccc(CNc2ccc([P@@](=O)([O-])O)cc2)nn1	ZINC001169474936	836301456	/nfs/dbraw/zinc/30/14/56/836301456.db2.gz	QZJPGSFQOWUNGX-UHFFFAOYSA-N	-1	2	295.235	0.900	20	0		CCADLM
COc1ccc(CNc2ccc([P@](=O)([O-])O)cc2)nn1	ZINC001169474936	836301469	/nfs/dbraw/zinc/30/14/69/836301469.db2.gz	QZJPGSFQOWUNGX-UHFFFAOYSA-N	-1	2	295.235	0.900	20	0		CCADLM
COC(=O)CCS(=O)(=O)[N-]c1ncc(F)cc1O	ZINC001188355385	844882495	/nfs/dbraw/zinc/88/24/95/844882495.db2.gz	MXGUIZQDOAHCRE-UHFFFAOYSA-N	-1	2	278.261	0.231	20	0		CCADLM
CC(C)CN(Cc1nn[n-]n1)C(=O)c1cncc(O)c1	ZINC001419137994	891916926	/nfs/dbraw/zinc/91/69/26/891916926.db2.gz	PQSRUMBSIHMXCY-UHFFFAOYSA-N	-1	2	276.300	0.599	20	0		CCADLM
CCN(C)c1nc(NCCOP(=O)([O-])[O-])[nH+]cc1C	ZINC001168586121	897691658	/nfs/dbraw/zinc/69/16/58/897691658.db2.gz	FUVHIEUJMOZMQP-UHFFFAOYSA-N	-1	2	290.260	0.762	20	0		CCADLM
CCOC(=O)c1nnc(C[NH2+]Cc2ccnn2CC)[n-]1	ZINC001413263297	902827268	/nfs/dbraw/zinc/82/72/68/902827268.db2.gz	QBCLKMINTHJNEF-UHFFFAOYSA-N	-1	2	278.316	0.488	20	0		CCADLM
C[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)C1=NN(C)CC1=O	ZINC001589088260	955916048	/nfs/dbraw/zinc/91/60/48/955916048.db2.gz	MWSZBOXNRZFGIK-MUWHJKNJSA-N	-1	2	267.285	0.414	20	0		CCADLM
C[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)c1nn(C)cc1O	ZINC001589088260	955916052	/nfs/dbraw/zinc/91/60/52/955916052.db2.gz	MWSZBOXNRZFGIK-MUWHJKNJSA-N	-1	2	267.285	0.414	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)n1	ZINC001594441333	959274173	/nfs/dbraw/zinc/27/41/73/959274173.db2.gz	FMORRANUTUEVOJ-VXNVDRBHSA-N	-1	2	298.368	0.774	20	0		CCADLM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCc1n[nH]c(=O)[nH]1	ZINC000392338306	972472813	/nfs/dbraw/zinc/47/28/13/972472813.db2.gz	AAZLYEUXNYFILZ-NKWVEPMBSA-N	-1	2	268.273	0.018	20	0		CCADLM
COC[C@@]1(C(=O)[O-])CCN(C(=O)C(F)C(F)(F)F)C1	ZINC001604523504	973471759	/nfs/dbraw/zinc/47/17/59/973471759.db2.gz	RHVLAXOWKFFIFL-IMTBSYHQSA-N	-1	2	287.209	0.837	20	0		CCADLM
COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@H](F)C(F)(F)F)C1	ZINC001604523504	973471764	/nfs/dbraw/zinc/47/17/64/973471764.db2.gz	RHVLAXOWKFFIFL-IMTBSYHQSA-N	-1	2	287.209	0.837	20	0		CCADLM
CCOC(=O)C(C)(C)ONC(=O)[C@H](C(=O)[O-])C1CC1	ZINC001603778563	974231310	/nfs/dbraw/zinc/23/13/10/974231310.db2.gz	RAFPSGSKXPBOKI-MRVPVSSYSA-N	-1	2	273.285	0.487	20	0		CCADLM
CC(C)(NC(=O)C(F)(F)F)C(=O)OCC1(C(=O)[O-])CC1	ZINC001590839775	990701265	/nfs/dbraw/zinc/70/12/65/990701265.db2.gz	GGQHLKSPUJFGAJ-UHFFFAOYSA-N	-1	2	297.229	0.852	20	0		CCADLM
C[C@]1(C(=O)[O-])CCCN(C(=O)C[C@@H]2SC(=N)NC2=O)C1	ZINC001593766619	996447073	/nfs/dbraw/zinc/44/70/73/996447073.db2.gz	RGAWFAWWVXYOIE-MADCSZMMSA-N	-1	2	299.352	0.256	20	0		CCADLM
COC(=O)NCC(=O)Nc1nc(-c2ccccc2F)n[nH]1	ZINC000109625921	349754514	/nfs/dbraw/zinc/75/45/14/349754514.db2.gz	QQTLYMKDFNOBRM-UHFFFAOYSA-N	-1	2	293.258	0.905	20	0		CCADLM
O=C([O-])C1(CC(=O)NNC(=O)c2ccccn2)CCCC1	ZINC000016482120	348048245	/nfs/dbraw/zinc/04/82/45/348048245.db2.gz	WFNIKOXZAKICOF-UHFFFAOYSA-N	-1	2	291.307	0.878	20	0		CCADLM
COc1ccc(=NC(=O)NC[C@@H]2CCC[C@H](O)C2)[n-]n1	ZINC000346678485	137298989	/nfs/dbraw/zinc/29/89/89/137298989.db2.gz	YLANEBGNLRDSRQ-ZJUUUORDSA-N	-1	2	280.328	0.580	20	0		CCADLM
O=c1[nH]nc(SCCn2cc[nH+]c2)n1C[C@@H]1CCCO1	ZINC000121863980	350059120	/nfs/dbraw/zinc/05/91/20/350059120.db2.gz	DYBHIFIVVGCBOR-JTQLQIEISA-N	-1	2	295.368	0.739	20	0		CCADLM
CCCN(CC(=O)[O-])S(=O)(=O)NCC(F)(F)F	ZINC000126341511	350145001	/nfs/dbraw/zinc/14/50/01/350145001.db2.gz	CQNSBLQOURVPTA-UHFFFAOYSA-N	-1	2	278.252	0.180	20	0		CCADLM
CCOC(=O)c1cc(=NC(=O)c2c(O)cccc2O)[nH][n-]1	ZINC000542833381	290963192	/nfs/dbraw/zinc/96/31/92/290963192.db2.gz	YOCWQIUGBHHRMZ-UHFFFAOYSA-N	-1	2	291.263	0.672	20	0		CCADLM
O=c1nc(C[N@@H+]2CCC[C@@H](c3ccncc3)C2)[nH][nH]1	ZINC000295893001	353923183	/nfs/dbraw/zinc/92/31/83/353923183.db2.gz	HYFMWCKPLFOXEV-LLVKDONJSA-N	-1	2	259.313	0.873	20	0		CCADLM
C[C@H]1CCCN(C(=O)CCc2ncn[nH]2)[C@@H]1C(=O)[O-]	ZINC000424270946	235193016	/nfs/dbraw/zinc/19/30/16/235193016.db2.gz	YDNFOQICCZDGJW-KWQFWETISA-N	-1	2	266.301	0.449	20	0		CCADLM
C[C@](O)(CN=c1[nH]nc(C2CCOCC2)s1)C(=O)[O-]	ZINC000570519465	358865646	/nfs/dbraw/zinc/86/56/46/358865646.db2.gz	FWOHDYJYCQYRGP-NSHDSACASA-N	-1	2	287.341	0.102	20	0		CCADLM
C[C@@](O)(CN=c1[nH]nc(C2CCOCC2)s1)C(=O)[O-]	ZINC000570519464	358866045	/nfs/dbraw/zinc/86/60/45/358866045.db2.gz	FWOHDYJYCQYRGP-LLVKDONJSA-N	-1	2	287.341	0.102	20	0		CCADLM
Cc1c[nH+]cn1CC(=O)Nc1n[nH]c(SCCO)n1	ZINC000629972500	369862282	/nfs/dbraw/zinc/86/22/82/369862282.db2.gz	RISCNVFINGYCKA-UHFFFAOYSA-N	-1	2	282.329	0.033	20	0		CCADLM
Cc1c[nH+]cn1CC(=O)Nc1nc(SCCO)n[nH]1	ZINC000629972500	369862287	/nfs/dbraw/zinc/86/22/87/369862287.db2.gz	RISCNVFINGYCKA-UHFFFAOYSA-N	-1	2	282.329	0.033	20	0		CCADLM
O=C([O-])[C@@]1(NS(=O)(=O)CC(F)(F)F)CCSC1	ZINC000569599166	291692569	/nfs/dbraw/zinc/69/25/69/291692569.db2.gz	NNBJASPTEURJAO-ZCFIWIBFSA-N	-1	2	293.288	0.428	20	0		CCADLM
O=S(=O)(NCC[NH2+]Cc1cocn1)c1cccs1	ZINC000192334989	389033127	/nfs/dbraw/zinc/03/31/27/389033127.db2.gz	WAVGABCBFYWWPG-UHFFFAOYSA-N	-1	2	287.366	0.804	20	0		CCADLM
N=c1[n-]nc(CCNC(=O)c2cc(F)c(O)c(F)c2)o1	ZINC000436543732	389978969	/nfs/dbraw/zinc/97/89/69/389978969.db2.gz	JCXVPLFPOWVIKY-UHFFFAOYSA-N	-1	2	284.222	0.438	20	0		CCADLM
O=C([O-])c1ccc[nH+]c1N1CCO[C@H](C(=O)[O-])C1	ZINC000647448020	390817869	/nfs/dbraw/zinc/81/78/69/390817869.db2.gz	NJCNBQATADMYBO-QMMMGPOBSA-N	-1	2	252.226	0.070	20	0		CCADLM
O=C(NCc1c[nH+]c[nH]1)c1ccc2c(c1)C(=O)NC2=O	ZINC000358585150	144164391	/nfs/dbraw/zinc/16/43/91/144164391.db2.gz	GTEVIGZQNIRBDR-UHFFFAOYSA-N	-1	2	270.248	0.223	20	0		CCADLM
O=C(NCc1c[nH]c[nH+]1)c1ccc2c(c1)C(=O)NC2=O	ZINC000358585150	144164393	/nfs/dbraw/zinc/16/43/93/144164393.db2.gz	GTEVIGZQNIRBDR-UHFFFAOYSA-N	-1	2	270.248	0.223	20	0		CCADLM
CCC(CC)(C(=O)[O-])C(=O)NCc1n[nH]c(=O)[nH]1	ZINC000653301082	412285146	/nfs/dbraw/zinc/28/51/46/412285146.db2.gz	LSUXZEPWGNXMSP-UHFFFAOYSA-N	-1	2	256.262	0.018	20	0		CCADLM
C[C@@H](CNC(=O)N=c1ccc(C2CC2)n[nH]1)C(=O)[O-]	ZINC000653540901	412313689	/nfs/dbraw/zinc/31/36/89/412313689.db2.gz	YELRXKRPPIZNHT-ZETCQYMHSA-N	-1	2	264.285	0.618	20	0		CCADLM
O=C([O-])c1cccc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)[nH+]1	ZINC000662896877	414874972	/nfs/dbraw/zinc/87/49/72/414874972.db2.gz	QDDBJXSTYMPONP-ZQARSLAVSA-N	-1	2	266.253	0.416	20	0		CCADLM
O=C([O-])[C@@H](NS(=O)(=O)CC(F)(F)F)C1CC1	ZINC000576700339	335236548	/nfs/dbraw/zinc/23/65/48/335236548.db2.gz	CCZHPMCEKUFEAF-YFKPBYRVSA-N	-1	2	261.221	0.331	20	0		CCADLM
CC[NH+](CC)C[C@@H](C)NS(=O)(=O)NCC(F)(F)F	ZINC000443224426	545095967	/nfs/dbraw/zinc/09/59/67/545095967.db2.gz	JABCHOZORVDNBI-MRVPVSSYSA-N	-1	2	291.339	0.703	20	0		CCADLM
O=C(NCc1n[nH]c(=O)[nH]1)c1c([O-])cc(F)cc1F	ZINC000673918943	545295494	/nfs/dbraw/zinc/29/54/94/545295494.db2.gz	HATPMFYHDIGFTC-UHFFFAOYSA-N	-1	2	270.195	0.424	20	0		CCADLM
O=C([O-])C[C@H](NC(=O)C1=NNC(=O)C1)c1ccc(F)cc1	ZINC000738563940	581543734	/nfs/dbraw/zinc/54/37/34/581543734.db2.gz	PIDIWEKFFDJZKL-VIFPVBQESA-N	-1	2	293.254	0.334	20	0		CCADLM
COCCN(CC(=O)NO[C@H]1CCCCO1)C(=O)[O-]	ZINC000739821521	581624500	/nfs/dbraw/zinc/62/45/00/581624500.db2.gz	YYRLYGWWOOXJBJ-JTQLQIEISA-N	-1	2	276.289	0.187	20	0		CCADLM
C[C@@H](CNc1cccc(-c2nn[nH]n2)n1)[NH+]1CCOCC1	ZINC000736025876	581684047	/nfs/dbraw/zinc/68/40/47/581684047.db2.gz	JYPITUDYHXCQDY-JTQLQIEISA-N	-1	2	289.343	0.394	20	0		CCADLM
Cc1cccc(S(=O)(=O)Nc2ncn(CC(=O)[O-])n2)c1	ZINC000832972566	600987049	/nfs/dbraw/zinc/98/70/49/600987049.db2.gz	FVJRTGVYMLDUCS-UHFFFAOYSA-N	-1	2	296.308	0.472	20	0		CCADLM
Cn1cc(NC(=O)CC2SC(=N)NC2=O)cc1C(=O)[O-]	ZINC000833045653	601312292	/nfs/dbraw/zinc/31/22/92/601312292.db2.gz	PEUJRYUATCLHAI-ZETCQYMHSA-N	-1	2	296.308	0.218	20	0		CCADLM
O=C([O-])N[C@@H]1CCC[C@@H](C(=O)OCc2n[nH]c(=O)[nH]2)C1	ZINC000834170873	605955414	/nfs/dbraw/zinc/95/54/14/605955414.db2.gz	WDDOSTDHMRIYIM-RNFRBKRXSA-N	-1	2	284.272	0.380	20	0		CCADLM
C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCc1n[nH]c(=O)[nH]1	ZINC000833832451	606062911	/nfs/dbraw/zinc/06/29/11/606062911.db2.gz	WDVREWHZLBPQSB-KRTXAFLBSA-N	-1	2	297.315	0.343	20	0		CCADLM
CC(C)N(CCC(=O)NCCCc1n[nH]c(=O)[nH]1)C(=O)[O-]	ZINC000824336584	614290862	/nfs/dbraw/zinc/29/08/62/614290862.db2.gz	VIGVGVBSBLFHPE-UHFFFAOYSA-N	-1	2	299.331	0.338	20	0		CCADLM
CC[N@H+]1[C@H](C)CN(C(=O)CCc2nn[nH]n2)C[C@@H]1C	ZINC000912020413	615449045	/nfs/dbraw/zinc/44/90/45/615449045.db2.gz	FLMMSSIXMRRJDN-AOOOYVTPSA-N	-1	2	266.349	0.073	20	0		CCADLM
Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@H]2C(=O)NCC2(C)C)n1	ZINC000931654383	630967695	/nfs/dbraw/zinc/96/76/95/630967695.db2.gz	KYZQZINDZISUNY-WPRPVWTQSA-N	-1	2	264.329	0.666	20	0		CCADLM
C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2O)C1	ZINC001006768919	631078718	/nfs/dbraw/zinc/07/87/18/631078718.db2.gz	YRKHFLAXJXOOTC-GHMZBOCLSA-N	-1	2	291.351	0.460	20	0		CCADLM
O=[P@@]([O-])(O)Oc1ccc(OC[C@H]2COCCO2)cc1	ZINC001234341117	806226068	/nfs/dbraw/zinc/22/60/68/806226068.db2.gz	WYSOIECGNDXCPA-LLVKDONJSA-N	-1	2	290.208	0.952	20	0		CCADLM
O=[P@]([O-])(O)Oc1ccc(OC[C@H]2COCCO2)cc1	ZINC001234341117	806226071	/nfs/dbraw/zinc/22/60/71/806226071.db2.gz	WYSOIECGNDXCPA-LLVKDONJSA-N	-1	2	290.208	0.952	20	0		CCADLM
Cn1cncc1NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC001260184139	808856521	/nfs/dbraw/zinc/85/65/21/808856521.db2.gz	UYDKWVRGTUUSII-UHFFFAOYSA-N	-1	2	281.293	0.919	20	0		CCADLM
O=C([O-])c1ccc(S(=O)(=O)Nc2nnco2)cc1	ZINC001260220723	808857470	/nfs/dbraw/zinc/85/74/70/808857470.db2.gz	JMAUDTSLUBGKNB-UHFFFAOYSA-N	-1	2	269.238	0.569	20	0		CCADLM
O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(O)c(F)c1F	ZINC001192843622	845921491	/nfs/dbraw/zinc/92/14/91/845921491.db2.gz	ZSWOKSJHFSKAOC-UHFFFAOYSA-N	-1	2	270.195	0.424	20	0		CCADLM
O=C(CCCc1nn[nH]n1)N1CCC(c2nnc[nH]2)CC1	ZINC001363283816	929075060	/nfs/dbraw/zinc/07/50/60/929075060.db2.gz	HOXDELKBXMDLTO-UHFFFAOYSA-N	-1	2	290.331	0.047	20	0		CCADLM
C[C@@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1C)C1=NN(C)CC1=O	ZINC001589114034	956075191	/nfs/dbraw/zinc/07/51/91/956075191.db2.gz	AIVBFFQOLUPISG-QHMRUWFYSA-N	-1	2	267.285	0.414	20	0		CCADLM
C[C@@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1C)c1nn(C)cc1O	ZINC001589114034	956075204	/nfs/dbraw/zinc/07/52/04/956075204.db2.gz	AIVBFFQOLUPISG-QHMRUWFYSA-N	-1	2	267.285	0.414	20	0		CCADLM
Cc1n[nH]c(Br)c1C(=O)N[C@H](C)C(=O)[O-]	ZINC001594441191	959272797	/nfs/dbraw/zinc/27/27/97/959272797.db2.gz	UAEBWMOMWBUYPE-SCSAIBSYSA-N	-1	2	276.090	0.684	20	0		CCADLM
O=C([O-])CC1(C(=O)OCc2n[nH]c(=O)[nH]2)CCC1	ZINC001606074484	973228932	/nfs/dbraw/zinc/22/89/32/973228932.db2.gz	FUSDWTDBRDACMJ-UHFFFAOYSA-N	-1	2	255.230	0.199	20	0		CCADLM
CCC[C@](C)(O)CNC(=O)N=c1ccc(OC)n[n-]1	ZINC000346677738	137298975	/nfs/dbraw/zinc/29/89/75/137298975.db2.gz	VPKLAWZMDYWBTG-LBPRGKRZSA-N	-1	2	268.317	0.580	20	0		CCADLM
CC1(C)COCC[N@@H+]1CCNC(=O)c1cncc(O)c1	ZINC000171870058	350938919	/nfs/dbraw/zinc/93/89/19/350938919.db2.gz	JWUHWYZRBIUYEO-UHFFFAOYSA-N	-1	2	279.340	0.628	20	0		CCADLM
Cc1cc(=NC(=O)NCCCC(=O)[O-])[nH]nc1C	ZINC000417753621	234003291	/nfs/dbraw/zinc/00/32/91/234003291.db2.gz	OWTYMLQPIQBNDA-UHFFFAOYSA-N	-1	2	252.274	0.502	20	0		CCADLM
C[C@H]1C[N@H+](Cc2ncccc2O)[C@@H](C)CN1CCO	ZINC000557201066	291026430	/nfs/dbraw/zinc/02/64/30/291026430.db2.gz	LYCFGHRCSCWBPZ-RYUDHWBXSA-N	-1	2	265.357	0.674	20	0		CCADLM
COCCCONC(=O)[C@H]1CCc2[nH+]ccn2C1	ZINC000367867838	357288566	/nfs/dbraw/zinc/28/85/66/357288566.db2.gz	ZWSDJJWZWJPLGC-JTQLQIEISA-N	-1	2	253.302	0.530	20	0		CCADLM
O=C([O-])c1ccc(-n2[nH]c([C@H]3CCOC3)cc2=O)nc1	ZINC000634609273	372096803	/nfs/dbraw/zinc/09/68/03/372096803.db2.gz	AOILAVHBTRVEQE-VIFPVBQESA-N	-1	2	275.264	0.909	20	0		CCADLM
COC[C@@]1(C(=O)[O-])CCN(c2[nH+]cccc2C(=O)[O-])C1	ZINC000634965994	372318011	/nfs/dbraw/zinc/31/80/11/372318011.db2.gz	YYHILEYJKISJLP-CYBMUJFWSA-N	-1	2	280.280	0.707	20	0		CCADLM
Cc1n[nH]cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O	ZINC000124644771	284703780	/nfs/dbraw/zinc/70/37/80/284703780.db2.gz	RVAZWBKZNQODAB-UHFFFAOYSA-N	-1	2	297.292	0.923	20	0		CCADLM
COC(=O)[C@@H]1C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1C	ZINC000366766148	130396089	/nfs/dbraw/zinc/39/60/89/130396089.db2.gz	CGMIAMQDMWXQIO-MWLCHTKSSA-N	-1	2	290.323	0.264	20	0		CCADLM
CC[C@@](C)(CNS(=O)(=O)c1c(C)cnn1C)C(=O)[O-]	ZINC000285167326	196212332	/nfs/dbraw/zinc/21/23/32/196212332.db2.gz	PRFHOIOKSQLGGO-NSHDSACASA-N	-1	2	289.357	0.508	20	0		CCADLM
O=C([O-])C1(NS(=O)(=O)NCC(F)(F)F)CCCC1	ZINC000126275333	544595023	/nfs/dbraw/zinc/59/50/23/544595023.db2.gz	XGNKICOKRZTWPW-UHFFFAOYSA-N	-1	2	290.263	0.370	20	0		CCADLM
C[C@@H](NS(=O)(=O)CC(F)(F)F)[C@@H](C)C(=O)[O-]	ZINC000577488537	335357994	/nfs/dbraw/zinc/35/79/94/335357994.db2.gz	BPBFDPGSHMOCRH-RFZPGFLSSA-N	-1	2	263.237	0.577	20	0		CCADLM
COc1ncccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000037045630	536904055	/nfs/dbraw/zinc/90/40/55/536904055.db2.gz	OBLQGEZKGXVRMC-UHFFFAOYSA-N	-1	2	297.292	0.917	20	0		CCADLM
C[C@@H]1CN(C(=O)[O-])CCN1Cc1cc(=O)n2[nH]ccc2n1	ZINC000739158086	581513549	/nfs/dbraw/zinc/51/35/49/581513549.db2.gz	YCGQKYNJMJCWGX-SECBINFHSA-N	-1	2	291.311	0.207	20	0		CCADLM
CN(CC(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1)C(=O)[O-]	ZINC000737396249	581953381	/nfs/dbraw/zinc/95/33/81/581953381.db2.gz	DHUAJAKNQGUVIF-UHFFFAOYSA-N	-1	2	292.251	0.578	20	0		CCADLM
Cn1nccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000044593596	600243685	/nfs/dbraw/zinc/24/36/85/600243685.db2.gz	FLCJWJJTQDFKAN-UHFFFAOYSA-N	-1	2	295.320	0.848	20	0		CCADLM
O=C([O-])NCc1ccc(C(=O)NCc2n[nH]c(=O)[nH]2)cc1	ZINC000832701982	603741833	/nfs/dbraw/zinc/74/18/33/603741833.db2.gz	JKPCJATWBCPIML-UHFFFAOYSA-N	-1	2	291.267	0.208	20	0		CCADLM
CC(C)(C)c1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)nc1	ZINC000854612459	614049267	/nfs/dbraw/zinc/04/92/67/614049267.db2.gz	NLNBNDQMXSTELQ-UHFFFAOYSA-N	-1	2	277.284	0.766	20	0		CCADLM
CC(C)(CCC(=O)[O-])NC(=O)C[C@H]1SC(=N)NC1=O	ZINC000817828178	614082214	/nfs/dbraw/zinc/08/22/14/614082214.db2.gz	NBRYCHXPXNDYOO-ZCFIWIBFSA-N	-1	2	287.341	0.302	20	0		CCADLM
CC[NH+](CC)Cc1cn(CCNC(=O)C(F)(F)F)nn1	ZINC000864625351	615004802	/nfs/dbraw/zinc/00/48/02/615004802.db2.gz	RBIPVBYYBBSZOJ-UHFFFAOYSA-N	-1	2	293.293	0.798	20	0		CCADLM
Cn1cnc(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)c1	ZINC000900308480	633987796	/nfs/dbraw/zinc/98/77/96/633987796.db2.gz	ITWRERGHVGKUOJ-UHFFFAOYSA-N	-1	2	278.312	0.711	20	0		CCADLM
O=C([O-])[C@@H]1CSCCN1C(=O)NC/C=C\Cl	ZINC000900311062	633987945	/nfs/dbraw/zinc/98/79/45/633987945.db2.gz	QOAJYNCTRTVWBE-XRHZSYRXSA-N	-1	2	264.734	0.951	20	0		CCADLM
O=C([O-])C(F)(F)CNS(=O)(=O)C[C@H]1CCCCO1	ZINC000905998763	634946357	/nfs/dbraw/zinc/94/63/57/634946357.db2.gz	CJFAFGDFGZDKPO-SSDOTTSWSA-N	-1	2	287.284	0.195	20	0		CCADLM
C[C@@H]1[C@@H](NC(=O)c2ccccc2O)CCC[N@@H+]1CC(N)=O	ZINC000993078489	637685385	/nfs/dbraw/zinc/68/53/85/637685385.db2.gz	ZALDCDHQQKKEJL-PWSUYJOCSA-N	-1	2	291.351	0.460	20	0		CCADLM
O=C(Nn1c(=O)[n-][nH]c1=O)c1occ2c1CCC2	ZINC000854610274	644233161	/nfs/dbraw/zinc/23/31/61/644233161.db2.gz	BFKZDFOXWJXMPZ-UHFFFAOYSA-N	-1	2	250.214	0.155	20	0		CCADLM
Cc1ccc2ncc(O)c(C(=O)N=c3nn[n-]n3C)c2c1	ZINC001154528350	800795087	/nfs/dbraw/zinc/79/50/87/800795087.db2.gz	SMWWLEQBOSEKHP-UHFFFAOYSA-N	-1	2	284.279	0.447	20	0		CCADLM
Cn1nccc1CNc1ccc([P@@](=O)([O-])O)cc1	ZINC001161876648	802236839	/nfs/dbraw/zinc/23/68/39/802236839.db2.gz	HMDHSMFUZLVZDZ-UHFFFAOYSA-N	-1	2	267.225	0.835	20	0		CCADLM
Cn1nccc1CNc1ccc([P@](=O)([O-])O)cc1	ZINC001161876648	802236842	/nfs/dbraw/zinc/23/68/42/802236842.db2.gz	HMDHSMFUZLVZDZ-UHFFFAOYSA-N	-1	2	267.225	0.835	20	0		CCADLM
O=[P@]([O-])(O)c1ccc(-c2cnn(CCO)c2)cc1	ZINC001206594701	803271913	/nfs/dbraw/zinc/27/19/13/803271913.db2.gz	DJZRAZMSIRHDPR-UHFFFAOYSA-N	-1	2	268.209	0.345	20	0		CCADLM
O=[P@@]([O-])(O)c1ccc(-c2cnn(CCO)c2)cc1	ZINC001206594701	803271917	/nfs/dbraw/zinc/27/19/17/803271917.db2.gz	DJZRAZMSIRHDPR-UHFFFAOYSA-N	-1	2	268.209	0.345	20	0		CCADLM
[NH3+][C@@H](Cc1nn[nH]n1)c1nnc(-c2ccccc2)o1	ZINC001217694170	803899655	/nfs/dbraw/zinc/89/96/55/803899655.db2.gz	UUBGJTKKEBGONV-QMMMGPOBSA-N	-1	2	257.257	0.492	20	0		CCADLM
O=[P@@]([O-])(O)c1ccc(NCCn2cnnc2)cc1	ZINC001168876235	836037780	/nfs/dbraw/zinc/03/77/80/836037780.db2.gz	GANJKYQSDHJVEE-UHFFFAOYSA-N	-1	2	268.213	0.193	20	0		CCADLM
O=[P@]([O-])(O)c1ccc(NCCn2cnnc2)cc1	ZINC001168876235	836037790	/nfs/dbraw/zinc/03/77/90/836037790.db2.gz	GANJKYQSDHJVEE-UHFFFAOYSA-N	-1	2	268.213	0.193	20	0		CCADLM
C[C@@H]1CCN(C(=O)CCc2ncn[nH]2)[C@@H](C(=O)[O-])C1	ZINC001119580935	856752733	/nfs/dbraw/zinc/75/27/33/856752733.db2.gz	RVQHUYGJNGRIRI-RKDXNWHRSA-N	-1	2	266.301	0.449	20	0		CCADLM
C[C@H]1CCN(C(=O)CCc2ncn[nH]2)[C@@H](C(=O)[O-])C1	ZINC001119580932	856753365	/nfs/dbraw/zinc/75/33/65/856753365.db2.gz	RVQHUYGJNGRIRI-DTWKUNHWSA-N	-1	2	266.301	0.449	20	0		CCADLM
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)CCc1ncn[nH]1	ZINC001334336263	919508683	/nfs/dbraw/zinc/50/86/83/919508683.db2.gz	ARPGWTOBTYUKML-PELKAZGASA-N	-1	2	264.285	0.203	20	0		CCADLM
C[C@@H](O)CC[N@@H+](C)Cc1nc2c(c(=O)[nH]1)COCC2	ZINC001352888816	925666153	/nfs/dbraw/zinc/66/61/53/925666153.db2.gz	QYQYXRNZMRAQFY-SECBINFHSA-N	-1	2	267.329	0.458	20	0		CCADLM
CC(C)OCc1noc(C[N@@H+]2CC[C@@H](c3nn[nH]n3)C2)n1	ZINC001363293859	929088140	/nfs/dbraw/zinc/08/81/40/929088140.db2.gz	ZKQRDPAXABYJCL-SECBINFHSA-N	-1	2	293.331	0.497	20	0		CCADLM
CC(C)OCc1noc(C[N@H+]2CC[C@@H](c3nn[nH]n3)C2)n1	ZINC001363293859	929088151	/nfs/dbraw/zinc/08/81/51/929088151.db2.gz	ZKQRDPAXABYJCL-SECBINFHSA-N	-1	2	293.331	0.497	20	0		CCADLM
O=C([O-])[C@@H]1CC[C@H]1C(=O)NCCc1n[nH]c(=S)o1	ZINC001595181828	952253494	/nfs/dbraw/zinc/25/34/94/952253494.db2.gz	ZDUDKEKLZRELHX-PHDIDXHHSA-N	-1	2	271.298	0.128	20	0		CCADLM
CO[C@H](C(=O)[O-])C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1	ZINC001593913756	956001291	/nfs/dbraw/zinc/00/12/91/956001291.db2.gz	WVLNFDXJUFDCBR-QMMMGPOBSA-N	-1	2	292.251	0.215	20	0		CCADLM
O=C([O-])CC[N@H+](CC(=O)[O-])CC(=O)NCc1ccccc1	ZINC000071734766	957731276	/nfs/dbraw/zinc/73/12/76/957731276.db2.gz	ZMXQJILWFNBNKD-UHFFFAOYSA-N	-1	2	294.307	0.164	20	0		CCADLM
O=C([O-])CC[N@@H+](CC(=O)[O-])CC(=O)NCc1ccccc1	ZINC000071734766	957731286	/nfs/dbraw/zinc/73/12/86/957731286.db2.gz	ZMXQJILWFNBNKD-UHFFFAOYSA-N	-1	2	294.307	0.164	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)n1	ZINC001594441329	959275028	/nfs/dbraw/zinc/27/50/28/959275028.db2.gz	FMORRANUTUEVOJ-APPZFPTMSA-N	-1	2	298.368	0.774	20	0		CCADLM
Cc1cc(C(=O)[O-])ccc1NC(=O)NCc1n[nH]c(=O)[nH]1	ZINC000392314987	972469689	/nfs/dbraw/zinc/46/96/89/972469689.db2.gz	IEJFIGIABKVVOD-UHFFFAOYSA-N	-1	2	291.267	0.839	20	0		CCADLM
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)C(F)C(F)(F)F)C2	ZINC001574512832	961817057	/nfs/dbraw/zinc/81/70/57/961817057.db2.gz	XYCGRLXJVVCLPD-WATHFIQWSA-N	-1	2	285.193	0.446	20	0		CCADLM
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C2	ZINC001574512832	961817072	/nfs/dbraw/zinc/81/70/72/961817072.db2.gz	XYCGRLXJVVCLPD-WATHFIQWSA-N	-1	2	285.193	0.446	20	0		CCADLM
CCCC[C@@H](NC(=O)C[C@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC001595635503	981904189	/nfs/dbraw/zinc/90/41/89/981904189.db2.gz	XJPXLGCKPAFNAS-RNFRBKRXSA-N	-1	2	287.341	0.302	20	0		CCADLM
COc1cccc(S([O-])=CC(=O)N[C@H]2C[C@@H](CO)C2)c1	ZINC000601712930	362360997	/nfs/dbraw/zinc/36/09/97/362360997.db2.gz	GRQDIDIAKOHIID-QZXWKGOOSA-N	-1	2	297.376	0.690	20	0		CCADLM
Cn1ccc(CNC(=O)N=c2[n-]nc(C(F)F)s2)n1	ZINC000346639872	137296460	/nfs/dbraw/zinc/29/64/60/137296460.db2.gz	TWSATNAJJOMADZ-UHFFFAOYSA-N	-1	2	288.283	0.953	20	0		CCADLM
Cn1cc(S(=O)(=O)Nc2cncnc2)cc1C(=O)[O-]	ZINC000231773389	352133531	/nfs/dbraw/zinc/13/35/31/352133531.db2.gz	WBEYSRHWTVGBGW-UHFFFAOYSA-N	-1	2	282.281	0.314	20	0		CCADLM
CC[N@H+]1CCN(C(=O)CCCc2nn[nH]n2)[C@H](C)C1	ZINC000635917677	373102679	/nfs/dbraw/zinc/10/26/79/373102679.db2.gz	AQODYKYNRHIPIT-SNVBAGLBSA-N	-1	2	266.349	0.075	20	0		CCADLM
C[C@H](CNS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-]	ZINC000381373146	389764797	/nfs/dbraw/zinc/76/47/97/389764797.db2.gz	IDHGOQKVOGRIAC-UHNVWZDZSA-N	-1	2	263.237	0.577	20	0		CCADLM
CCc1ncc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1	ZINC000446987721	389944159	/nfs/dbraw/zinc/94/41/59/389944159.db2.gz	CAOJYNNVKXXQGS-UHFFFAOYSA-N	-1	2	296.308	0.866	20	0		CCADLM
O=c1[nH]nc([C@H]2CCC[N@@H+](C[C@H](O)CC3(O)CCC3)C2)o1	ZINC000528497815	390751180	/nfs/dbraw/zinc/75/11/80/390751180.db2.gz	SKXJMAVKNXNJSK-WDEREUQCSA-N	-1	2	297.355	0.621	20	0		CCADLM
O=C([O-])c1ccc[nH+]c1NCCCc1n[nH]c(=O)[n-]1	ZINC000647451243	390817976	/nfs/dbraw/zinc/81/79/76/390817976.db2.gz	RGJFFVUFTYKSLR-UHFFFAOYSA-N	-1	2	263.257	0.648	20	0		CCADLM
O=C([O-])CCNC(=O)C1=NN(c2ccccc2)CC1=O	ZINC000357386308	144087050	/nfs/dbraw/zinc/08/70/50/144087050.db2.gz	CAFYWEQIQKUDSO-UHFFFAOYSA-N	-1	2	275.264	0.782	20	0		CCADLM
C[C@@H](C(=O)[O-])N(C)c1cc(N(C)[C@@H](C)C(=O)[O-])[nH+]cn1	ZINC000662877483	414865025	/nfs/dbraw/zinc/86/50/25/414865025.db2.gz	DAURIYLNVJUUEH-YUMQZZPRSA-N	-1	2	282.300	0.295	20	0		CCADLM
O=C(C[NH2+]C[C@H]1CCCO1)N=c1cc([C@H]2CCCO2)[nH][nH]1	ZINC000577176238	335316135	/nfs/dbraw/zinc/31/61/35/335316135.db2.gz	QGOBIRNSUWWWKB-ZYHUDNBSSA-N	-1	2	294.355	0.390	20	0		CCADLM
C[C@H](CCC(=O)[O-])NS(=O)(=O)CC(F)(F)F	ZINC000381187467	336054031	/nfs/dbraw/zinc/05/40/31/336054031.db2.gz	XXZARPMVITVADW-RXMQYKEDSA-N	-1	2	263.237	0.721	20	0		CCADLM
O=C([O-])[C@H]1C[C@H]1C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1	ZINC000739553370	581570424	/nfs/dbraw/zinc/57/04/24/581570424.db2.gz	OYDWLGNGZZPKTR-BDAKNGLRSA-N	-1	2	289.247	0.689	20	0		CCADLM
COCCO[N-]C(=O)C(C)(C)NC(=O)C(F)(F)F	ZINC000760413995	581858671	/nfs/dbraw/zinc/85/86/71/581858671.db2.gz	YQHVGUHLXUKOBX-UHFFFAOYSA-N	-1	2	272.223	0.138	20	0		CCADLM
N=C1NC(=O)[C@@H](CC(=O)NC2(C(=O)[O-])CCCC2)S1	ZINC000819124751	600866249	/nfs/dbraw/zinc/86/62/49/600866249.db2.gz	NPPKEPLWOLWSDH-ZCFIWIBFSA-N	-1	2	285.325	0.056	20	0		CCADLM
O=C([O-])c1ccc(CCC(=O)NCc2n[nH]c(=O)[nH]2)cc1	ZINC000833101718	601385186	/nfs/dbraw/zinc/38/51/86/601385186.db2.gz	CCTXMXZRROBVEF-UHFFFAOYSA-N	-1	2	290.279	0.458	20	0		CCADLM
O=C([O-])NCc1nc(C(=O)NN2CCCC2=O)cs1	ZINC000834248446	605788344	/nfs/dbraw/zinc/78/83/44/605788344.db2.gz	DPCGJKTVJJXNJQ-UHFFFAOYSA-N	-1	2	284.297	0.178	20	0		CCADLM
CC(C)(CCC(=O)NCCCc1n[nH]c(=O)[nH]1)NC(=O)[O-]	ZINC000823890225	614081292	/nfs/dbraw/zinc/08/12/92/614081292.db2.gz	ONAMFMSFVFXSIG-UHFFFAOYSA-N	-1	2	299.331	0.386	20	0		CCADLM
CC(C)(CCC(=O)[O-])NC(=O)C[C@@H]1SC(=N)NC1=O	ZINC000817828177	614082158	/nfs/dbraw/zinc/08/21/58/614082158.db2.gz	NBRYCHXPXNDYOO-LURJTMIESA-N	-1	2	287.341	0.302	20	0		CCADLM
CCc1cc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n(C)n1	ZINC000830223994	615658357	/nfs/dbraw/zinc/65/83/57/615658357.db2.gz	CXHIQJQALKXKQV-UHFFFAOYSA-N	-1	2	298.324	0.810	20	0		CCADLM
COCCONC(=O)[C@@H](CNC(=O)[O-])c1ccccc1	ZINC000829007713	616579347	/nfs/dbraw/zinc/57/93/47/616579347.db2.gz	MLXURSZHJTXFOZ-NSHDSACASA-N	-1	2	282.296	0.732	20	0		CCADLM
C[C@](Cn1cccn1)(NC(=O)NC/C=C\Cl)C(=O)[O-]	ZINC000900313252	633987687	/nfs/dbraw/zinc/98/76/87/633987687.db2.gz	LUGCANNWOLWJJQ-CJHWANRJSA-N	-1	2	286.719	0.778	20	0		CCADLM
O=C(CSCC(=O)NOC1CCC1)[N-]OC1CCC1	ZINC000812791410	641012619	/nfs/dbraw/zinc/01/26/19/641012619.db2.gz	OAZGJZZEXWJJLN-UHFFFAOYSA-N	-1	2	288.369	0.920	20	0		CCADLM
CC(=O)C[C@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-]	ZINC000863407439	645092516	/nfs/dbraw/zinc/09/25/16/645092516.db2.gz	HZOGWSMADCFSKB-WDSKDSINSA-N	-1	2	291.247	0.289	20	0		CCADLM
O=[P@@]([O-])(O)c1ccc(NCc2cccnn2)cc1	ZINC001167330819	790904978	/nfs/dbraw/zinc/90/49/78/790904978.db2.gz	XXUCFXWKPUUMJV-UHFFFAOYSA-N	-1	2	265.209	0.892	20	0		CCADLM
O=[P@]([O-])(O)c1ccc(NCc2cccnn2)cc1	ZINC001167330819	790904985	/nfs/dbraw/zinc/90/49/85/790904985.db2.gz	XXUCFXWKPUUMJV-UHFFFAOYSA-N	-1	2	265.209	0.892	20	0		CCADLM
CC[C@H](O)C(=O)Oc1ccc(O[P@@](=O)([O-])O)cc1	ZINC001234331808	806224104	/nfs/dbraw/zinc/22/41/04/806224104.db2.gz	KCXUAOHLNPPXSA-VIFPVBQESA-N	-1	2	276.181	0.834	20	0		CCADLM
CC[C@H](O)C(=O)Oc1ccc(O[P@](=O)([O-])O)cc1	ZINC001234331808	806224111	/nfs/dbraw/zinc/22/41/11/806224111.db2.gz	KCXUAOHLNPPXSA-VIFPVBQESA-N	-1	2	276.181	0.834	20	0		CCADLM
Cn1cnc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)n1	ZINC001260220801	808857217	/nfs/dbraw/zinc/85/72/17/808857217.db2.gz	OQEANHUMUMJMHK-UHFFFAOYSA-N	-1	2	282.281	0.314	20	0		CCADLM
CC(C)(C)c1nc(=NCc2n[nH]c(=O)[n-]2)s[nH]1	ZINC000392671226	809801660	/nfs/dbraw/zinc/80/16/60/809801660.db2.gz	YZQVXQZAZUGBJU-UHFFFAOYSA-N	-1	2	254.319	0.693	20	0		CCADLM
COCC[NH+]1CC(NC(=O)c2cnc(C3CC3)[nH]c2=O)C1	ZINC001031061397	816615862	/nfs/dbraw/zinc/61/58/62/816615862.db2.gz	XKLMHDFPYZIBQO-UHFFFAOYSA-N	-1	2	292.339	0.120	20	0		CCADLM
O=C(NCc1n[nH]c(=O)[nH]1)c1cccc([S-])c1	ZINC001186156837	844517382	/nfs/dbraw/zinc/51/73/82/844517382.db2.gz	SJWDQOMTMAXSNK-UHFFFAOYSA-N	-1	2	250.283	0.729	20	0		CCADLM
C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@@H](C(=O)[O-])O1	ZINC001335365433	920148023	/nfs/dbraw/zinc/14/80/23/920148023.db2.gz	ALGNGMCXVPGREI-MNOVXSKESA-N	-1	2	253.302	0.447	20	0		CCADLM
Cc1nc[nH]c1C(=O)N(C)CCc1nc(O)c(C)c(=O)[nH]1	ZINC001363661786	929464636	/nfs/dbraw/zinc/46/46/36/929464636.db2.gz	OMLYZBQSLKVGQF-UHFFFAOYSA-N	-1	2	291.311	0.542	20	0		CCADLM
C[C@@H]1CCCN(C(=O)C[C@H]2SC(=N)NC2=O)[C@H]1C(=O)[O-]	ZINC001589325594	953904339	/nfs/dbraw/zinc/90/43/39/953904339.db2.gz	GVBBVJYEVPFNMC-ZXFLCMHBSA-N	-1	2	299.352	0.255	20	0		CCADLM
COCC[N@H+](CC(=O)[O-])CC(=O)[N-]OCc1ccccc1	ZINC001593999822	956917695	/nfs/dbraw/zinc/91/76/95/956917695.db2.gz	LODWCUFKJGMLSY-UHFFFAOYSA-N	-1	2	296.323	0.267	20	0		CCADLM
COCC[N@@H+](CC(=O)[O-])CC(=O)[N-]OCc1ccccc1	ZINC001593999822	956917706	/nfs/dbraw/zinc/91/77/06/956917706.db2.gz	LODWCUFKJGMLSY-UHFFFAOYSA-N	-1	2	296.323	0.267	20	0		CCADLM
Cc1cccc(CONC(=O)CSCC(=O)[O-])n1	ZINC001594403802	958876802	/nfs/dbraw/zinc/87/68/02/958876802.db2.gz	WCSYIEFEDJORLP-UHFFFAOYSA-N	-1	2	270.310	0.756	20	0		CCADLM
CCCN(C(=O)C[C@H]1SC(=N)NC1=O)[C@H](C)C(=O)[O-]	ZINC001571030557	960488601	/nfs/dbraw/zinc/48/86/01/960488601.db2.gz	KCQPSRVVSGXUMZ-RNFRBKRXSA-N	-1	2	287.341	0.255	20	0		CCADLM
Cn1cc(NS(=O)(=O)c2ccccc2C(=O)[O-])cn1	ZINC001198730658	960574079	/nfs/dbraw/zinc/57/40/79/960574079.db2.gz	VIBWGNLKXJBWGV-UHFFFAOYSA-N	-1	2	281.293	0.919	20	0		CCADLM
COC[C@]1(C(=O)[O-])CCN(C(=O)C(F)C(F)(F)F)C1	ZINC001604523506	973471992	/nfs/dbraw/zinc/47/19/92/973471992.db2.gz	RHVLAXOWKFFIFL-RCOVLWMOSA-N	-1	2	287.209	0.837	20	0		CCADLM
COC[C@]1(C(=O)[O-])CCN(C(=O)[C@H](F)C(F)(F)F)C1	ZINC001604523506	973471995	/nfs/dbraw/zinc/47/19/95/973471995.db2.gz	RHVLAXOWKFFIFL-RCOVLWMOSA-N	-1	2	287.209	0.837	20	0		CCADLM
C[C@@](NCc1n[nH]c(=O)[nH]1)(C(=O)[O-])c1ccccc1	ZINC001593312360	994800923	/nfs/dbraw/zinc/80/09/23/994800923.db2.gz	UTEVYFQODMCEAY-LBPRGKRZSA-N	-1	2	262.269	0.600	20	0		CCADLM
C[C@](O)(CNC(=O)c1cc(F)cc(Cl)c1O)C(=O)[O-]	ZINC001593407770	995176864	/nfs/dbraw/zinc/17/68/64/995176864.db2.gz	SNGCMPMUCPESBY-NSHDSACASA-N	-1	2	291.662	0.750	20	0		CCADLM
COC[C@@](C)(NC(=O)C(F)C(F)(F)F)C(=O)[O-]	ZINC001599152277	998314419	/nfs/dbraw/zinc/31/44/19/998314419.db2.gz	ZVROOZCQMMBDBW-MHTLYPKNSA-N	-1	2	261.171	0.493	20	0		CCADLM
COC[C@@](C)(NC(=O)[C@H](F)C(F)(F)F)C(=O)[O-]	ZINC001599152277	998314428	/nfs/dbraw/zinc/31/44/28/998314428.db2.gz	ZVROOZCQMMBDBW-MHTLYPKNSA-N	-1	2	261.171	0.493	20	0		CCADLM
Cc1noc(=NC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)[n-]1	ZINC000348812943	137377626	/nfs/dbraw/zinc/37/76/26/137377626.db2.gz	YYFKVPUORKAQTK-UHFFFAOYSA-N	-1	2	287.235	0.396	20	0		CCADLM
CC[N@H+](CC(=O)N(C)C[C@@H](C)c1nn[nH]n1)C1CC1	ZINC000124608457	350102409	/nfs/dbraw/zinc/10/24/09/350102409.db2.gz	AJTACVQMHNJNQF-SECBINFHSA-N	-1	2	266.349	0.246	20	0		CCADLM
CC[N@@H+](CC(=O)N(C)C[C@@H](C)c1nn[nH]n1)C1CC1	ZINC000124608457	350102411	/nfs/dbraw/zinc/10/24/11/350102411.db2.gz	AJTACVQMHNJNQF-SECBINFHSA-N	-1	2	266.349	0.246	20	0		CCADLM
CS[C@H](CO)[C@@H](C)NC(=O)c1cccc2[nH]nnc21	ZINC000163670349	350769928	/nfs/dbraw/zinc/76/99/28/350769928.db2.gz	UKRQHMGRSGEPHJ-GMSGAONNSA-N	-1	2	280.353	0.800	20	0		CCADLM
O=C([O-])CCCCCNC(=O)N=c1nc2n([nH]1)CCCC2	ZINC000417791071	304047057	/nfs/dbraw/zinc/04/70/57/304047057.db2.gz	LBKDRJUUZFQPGF-UHFFFAOYSA-N	-1	2	295.343	0.803	20	0		CCADLM
O=C(Nc1cc[nH+]cc1O)[C@@H]1CC12CCS(=O)(=O)CC2	ZINC000328848276	202080623	/nfs/dbraw/zinc/08/06/23/202080623.db2.gz	YJTQIRUCAJONLL-VIFPVBQESA-N	-1	2	296.348	0.363	20	0		CCADLM
O=c1[nH]nc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[nH]1	ZINC000329272296	202261085	/nfs/dbraw/zinc/26/10/85/202261085.db2.gz	HUVCELWLNRNZIP-ZYHUDNBSSA-N	-1	2	277.372	0.959	20	0		CCADLM
CO[C@@H](C)c1nsc(NCCn2cc(C(=O)[O-])nn2)n1	ZINC000380247354	389763627	/nfs/dbraw/zinc/76/36/27/389763627.db2.gz	NLASUDJGLCCUIM-LURJTMIESA-N	-1	2	298.328	0.069	20	0		CCADLM
O=C([O-])[C@@H]1CC[C@H](NC(=O)N=c2nc3n([nH]2)CCCC3)C1	ZINC000647703547	390140813	/nfs/dbraw/zinc/14/08/13/390140813.db2.gz	NVBKORZWBJBXHG-BDAKNGLRSA-N	-1	2	293.327	0.411	20	0		CCADLM
O=C([O-])CC1(NC(=O)N=c2cccn[nH]2)CCC1	ZINC000649540981	397631569	/nfs/dbraw/zinc/63/15/69/397631569.db2.gz	MVUZBTMWYTVKMT-UHFFFAOYSA-N	-1	2	250.258	0.417	20	0		CCADLM
C[C@H](CNS(=O)(=O)[C@@H](C)C(F)(F)F)CC(=O)[O-]	ZINC000548264045	286020750	/nfs/dbraw/zinc/02/07/50/286020750.db2.gz	HVKSVAUGVIBIAC-WDSKDSINSA-N	-1	2	277.264	0.967	20	0		CCADLM
O=C([O-])[C@H](CC1CC1)NS(=O)(=O)c1ccoc1	ZINC000285167081	196212427	/nfs/dbraw/zinc/21/24/27/196212427.db2.gz	PPDNIROZSUSKSM-VIFPVBQESA-N	-1	2	259.283	0.811	20	0		CCADLM
CCN1CC[C@H]([N@@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)C1=O	ZINC000660461228	414339834	/nfs/dbraw/zinc/33/98/34/414339834.db2.gz	AZRDYYUIPLQBLN-ZJUUUORDSA-N	-1	2	280.328	0.575	20	0		CCADLM
O=C([O-])c1ccc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)[nH+]c1	ZINC000662899947	414879235	/nfs/dbraw/zinc/87/92/35/414879235.db2.gz	ZUJGPKWNYJHLKY-IWSPIJDZSA-N	-1	2	266.253	0.416	20	0		CCADLM
Cn1nccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000044593603	600975962	/nfs/dbraw/zinc/97/59/62/600975962.db2.gz	WIACTXCAEXCSPB-UHFFFAOYSA-N	-1	2	270.270	0.247	20	0		CCADLM
O=C([O-])[C@H]1CCC[C@H](C(=O)NCCCc2n[nH]c(=O)[nH]2)C1	ZINC000833182940	601212743	/nfs/dbraw/zinc/21/27/43/601212743.db2.gz	LSKVBTKZHJDATC-IUCAKERBSA-N	-1	2	296.327	0.450	20	0		CCADLM
Cn1[nH]cnc1=NC(=O)c1ccc(NC(=O)[O-])cc1O	ZINC000831058589	604932608	/nfs/dbraw/zinc/93/26/08/604932608.db2.gz	KJKDAHIPJVIQDH-UHFFFAOYSA-N	-1	2	277.240	0.285	20	0		CCADLM
Cc1cc(=O)[nH]c([C@@H](C)[NH2+][C@H]2C(=O)NCC2(C)C)n1	ZINC000931654379	630967293	/nfs/dbraw/zinc/96/72/93/630967293.db2.gz	KYZQZINDZISUNY-SCZZXKLOSA-N	-1	2	264.329	0.666	20	0		CCADLM
CCOC(=O)CS(=O)(=O)[N-]c1ncc(F)cc1O	ZINC001195943151	846648350	/nfs/dbraw/zinc/64/83/50/846648350.db2.gz	YTRAJSBPBWDZSM-UHFFFAOYSA-N	-1	2	278.261	0.231	20	0		CCADLM
O=C([O-])c1ccccc1S(=O)(=O)Nc1ccncn1	ZINC001198738948	847155487	/nfs/dbraw/zinc/15/54/87/847155487.db2.gz	IQYUBRHYOWMPHA-UHFFFAOYSA-N	-1	2	279.277	0.976	20	0		CCADLM
C[C@H]1CCN(C(=O)CCc2ncn[nH]2)[C@H](C(=O)[O-])C1	ZINC001119580934	856753250	/nfs/dbraw/zinc/75/32/50/856753250.db2.gz	RVQHUYGJNGRIRI-IUCAKERBSA-N	-1	2	266.301	0.449	20	0		CCADLM
CC(C)CN(Cc1nn[n-]n1)C(=O)[C@H]1CCC[N@H+]1C1CC1	ZINC001363275604	929060197	/nfs/dbraw/zinc/06/01/97/929060197.db2.gz	IYQRRMDREOIADH-GFCCVEGCSA-N	-1	2	292.387	0.811	20	0		CCADLM
O=C([O-])[C@@H]1CN(C(=O)C(F)C(F)(F)F)CCO1	ZINC001594941592	954901217	/nfs/dbraw/zinc/90/12/17/954901217.db2.gz	VPWUHQGOASXIAP-WHFBIAKZSA-N	-1	2	259.155	0.199	20	0		CCADLM
O=C([O-])[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)CCO1	ZINC001594941592	954901220	/nfs/dbraw/zinc/90/12/20/954901220.db2.gz	VPWUHQGOASXIAP-WHFBIAKZSA-N	-1	2	259.155	0.199	20	0		CCADLM
O=C([O-])[C@H]1C[C@H](O)CN1Cc1nc(=O)c2sccc2[nH]1	ZINC000132048207	958763574	/nfs/dbraw/zinc/76/35/74/958763574.db2.gz	IZUZSMGOLKFONZ-POYBYMJQSA-N	-1	2	295.320	0.004	20	0		CCADLM
C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1nn(C)cc1O	ZINC001573625351	959537854	/nfs/dbraw/zinc/53/78/54/959537854.db2.gz	QMGGDMKBTVLASD-SSDOTTSWSA-N	-1	2	290.279	0.710	20	0		CCADLM
O=C([O-])CSCC(=O)NOCCC(F)(F)F	ZINC000315053506	967970348	/nfs/dbraw/zinc/97/03/48/967970348.db2.gz	CQYOHVGMQAWBSD-UHFFFAOYSA-N	-1	2	261.221	0.804	20	0		CCADLM
O=C([O-])[C@H](C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1)C1CC1	ZINC001605893368	972703726	/nfs/dbraw/zinc/70/37/26/972703726.db2.gz	WXUCHAGXDIFCSC-BDAKNGLRSA-N	-1	2	294.311	0.327	20	0		CCADLM
CCOC(=O)C(C)(C)ONC(=O)[C@H](C(=O)[O-])C(C)C	ZINC001603778748	974231983	/nfs/dbraw/zinc/23/19/83/974231983.db2.gz	XWMMWYTYQDAFFP-MRVPVSSYSA-N	-1	2	275.301	0.733	20	0		CCADLM
COc1ccc(NC(=O)NCc2n[n-]c(=N)o2)cc1	ZINC000346635753	137296244	/nfs/dbraw/zinc/29/62/44/137296244.db2.gz	BMOSNANBGRLJNA-UHFFFAOYSA-N	-1	2	263.257	0.812	20	0		CCADLM
COc1ccc(NC(=O)NCCc2n[n-]c(=N)o2)cn1	ZINC000346641475	137296593	/nfs/dbraw/zinc/29/65/93/137296593.db2.gz	LFRZSMFHTVBCDJ-UHFFFAOYSA-N	-1	2	278.272	0.250	20	0		CCADLM
C/C=C/C[C@H](CO)NC(=O)N=c1ccc(OC)n[n-]1	ZINC000346681100	137298768	/nfs/dbraw/zinc/29/87/68/137298768.db2.gz	KIQWTVKLBIVPTK-CDAZIORVSA-N	-1	2	266.301	0.356	20	0		CCADLM
CC(C)C[C@@H](NS(=O)(=O)NCC(F)(F)F)C(=O)[O-]	ZINC000126220766	350140690	/nfs/dbraw/zinc/14/06/90/350140690.db2.gz	VEEOYUIRORTRAU-ZCFIWIBFSA-N	-1	2	292.279	0.472	20	0		CCADLM
Cn1ncc(NS(=O)(=O)c2ccccc2)c1C(=O)[O-]	ZINC000539843495	290902663	/nfs/dbraw/zinc/90/26/63/290902663.db2.gz	ZKSNCFQYXYTXRQ-UHFFFAOYSA-N	-1	2	281.293	0.919	20	0		CCADLM
Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cnn1C	ZINC000362434777	138059203	/nfs/dbraw/zinc/05/92/03/138059203.db2.gz	OWEYURHZLSDUST-UHFFFAOYSA-N	-1	2	298.324	0.566	20	0		CCADLM
CN1CC[C@H](CNC(=O)c2cccc3[nH]nnc32)CC1=O	ZINC000567704646	358574679	/nfs/dbraw/zinc/57/46/79/358574679.db2.gz	FEFWXVNAOGGSHG-VIFPVBQESA-N	-1	2	287.323	0.556	20	0		CCADLM
CCS(=O)(=O)N1CC[NH+](Cc2nc(C)ccc2O)CC1	ZINC000127221917	389174082	/nfs/dbraw/zinc/17/40/82/389174082.db2.gz	ZVSLUUXYXLYABU-UHFFFAOYSA-N	-1	2	299.396	0.563	20	0		CCADLM
COCC[C@H](NS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-]	ZINC000547878933	390406870	/nfs/dbraw/zinc/40/68/70/390406870.db2.gz	ACIAPCFTLJNRDE-RITPCOANSA-N	-1	2	293.263	0.346	20	0		CCADLM
Cc1ncc(CNC(=O)NCCCn2cc[nH+]c2)c(=O)[nH]1	ZINC000342215351	130389202	/nfs/dbraw/zinc/38/92/02/130389202.db2.gz	PKDZFPNDWNKTNT-UHFFFAOYSA-N	-1	2	290.327	0.577	20	0		CCADLM
CC(C)[C@@H](CNC(=O)N=c1nc2n([nH]1)CCCC2)C(=O)[O-]	ZINC000653546379	412313811	/nfs/dbraw/zinc/31/38/11/412313811.db2.gz	CSDSXTNYGAADOD-SECBINFHSA-N	-1	2	295.343	0.515	20	0		CCADLM
O=C([O-])Cc1ccc(S(=O)(=O)Nc2nncs2)cc1	ZINC000035296007	172107931	/nfs/dbraw/zinc/10/79/31/172107931.db2.gz	AVYCMKIQHGOHDI-UHFFFAOYSA-N	-1	2	299.333	0.966	20	0		CCADLM
Cc1n[nH]c(C)c1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000036736468	172666964	/nfs/dbraw/zinc/66/69/64/172666964.db2.gz	XPAJXADMQOVSHU-UHFFFAOYSA-N	-1	2	284.297	0.854	20	0		CCADLM
O=c1cc(C[N@@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)nc2cc[nH]n21	ZINC000661203795	414576011	/nfs/dbraw/zinc/57/60/11/414576011.db2.gz	RZPBDQBLEUWGSH-NTZNESFSSA-N	-1	2	288.351	0.615	20	0		CCADLM
O=C([O-])c1ccc(C(=O)NCc2n[nH]c(=O)[nH]2)s1	ZINC000392334473	601384412	/nfs/dbraw/zinc/38/44/12/601384412.db2.gz	UXQMFYDKVODFKU-UHFFFAOYSA-N	-1	2	268.254	0.200	20	0		CCADLM
Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCc1n[nH]c(=O)[nH]1	ZINC000392387754	604331170	/nfs/dbraw/zinc/33/11/70/604331170.db2.gz	ZUYOCZREOJHBFV-UHFFFAOYSA-N	-1	2	279.256	0.083	20	0		CCADLM
Cn1nccc1S(=O)(=O)Nc1ccc(C(=O)[O-])s1	ZINC000129737432	605301955	/nfs/dbraw/zinc/30/19/55/605301955.db2.gz	RTFISHUTBUFDRY-UHFFFAOYSA-N	-1	2	287.322	0.981	20	0		CCADLM
O=C([O-])CC[C@@H]1C[C@@H](C(=O)NO[C@@H]2CCCCO2)CO1	ZINC000901981535	634296046	/nfs/dbraw/zinc/29/60/46/634296046.db2.gz	DTLUVGHUMJBVEP-CKYFFXLPSA-N	-1	2	287.312	0.831	20	0		CCADLM
O=C(CSCC(=O)NOCC1CC1)[N-]OCC1CC1	ZINC000817339321	641254237	/nfs/dbraw/zinc/25/42/37/641254237.db2.gz	DHLFIGFNEPVEHW-UHFFFAOYSA-N	-1	2	288.369	0.635	20	0		CCADLM
CC(=O)C[C@H](NS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-]	ZINC000863407437	645092247	/nfs/dbraw/zinc/09/22/47/645092247.db2.gz	HZOGWSMADCFSKB-RITPCOANSA-N	-1	2	291.247	0.289	20	0		CCADLM
O=C1OCC[C@@H]1Oc1ccc(O[P@](=O)([O-])O)cc1	ZINC001234331968	806225061	/nfs/dbraw/zinc/22/50/61/806225061.db2.gz	MDRKBHIROPCKTC-VIFPVBQESA-N	-1	2	274.165	0.852	20	0		CCADLM
O=C1OCC[C@@H]1Oc1ccc(O[P@@](=O)([O-])O)cc1	ZINC001234331968	806225069	/nfs/dbraw/zinc/22/50/69/806225069.db2.gz	MDRKBHIROPCKTC-VIFPVBQESA-N	-1	2	274.165	0.852	20	0		CCADLM
O=C(c1cccc2c1NC(=O)C2=O)N1CC[N@@H+]2CC[C@H]2C1	ZINC001152456789	800524666	/nfs/dbraw/zinc/52/46/66/800524666.db2.gz	KVHMNNROBLAQPY-VIFPVBQESA-N	-1	2	285.303	0.352	20	0		CCADLM
O=C(c1cnc2n[nH]cc2c1)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001153001652	800580258	/nfs/dbraw/zinc/58/02/58/800580258.db2.gz	MBGUZXNONDNIHG-SSDOTTSWSA-N	-1	2	284.283	0.101	20	0		CCADLM
O=C(c1cnc2n[nH]cc2c1)N1CC[C@@H](c2nn[n-]n2)C1	ZINC001153001652	800580260	/nfs/dbraw/zinc/58/02/60/800580260.db2.gz	MBGUZXNONDNIHG-SSDOTTSWSA-N	-1	2	284.283	0.101	20	0		CCADLM
Cc1ccc(F)cc1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1	ZINC001218808160	804128343	/nfs/dbraw/zinc/12/83/43/804128343.db2.gz	AUPWSZASRCXFQA-QMMMGPOBSA-N	-1	2	264.264	0.156	20	0		CCADLM
C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2O)C1	ZINC001032921378	818360493	/nfs/dbraw/zinc/36/04/93/818360493.db2.gz	PLVWKJHSFVPRIV-QWRGUYRKSA-N	-1	2	291.351	0.412	20	0		CCADLM
COc1ccc(S(=O)(=O)Nc2nnco2)cc1C(=O)[O-]	ZINC001185259224	844384246	/nfs/dbraw/zinc/38/42/46/844384246.db2.gz	BXKKRCTYSUEBSV-UHFFFAOYSA-N	-1	2	299.264	0.577	20	0		CCADLM
O=C(Nn1c(=O)[n-][nH]c1=O)c1ncsc1C1CC1	ZINC001298667955	907300409	/nfs/dbraw/zinc/30/04/09/907300409.db2.gz	KUJNYXSQGYZAKM-UHFFFAOYSA-N	-1	2	267.270	0.407	20	0		CCADLM
COC(=O)CCCONC(=O)CCc1[nH+]ccn1C	ZINC001348000642	924574597	/nfs/dbraw/zinc/57/45/97/924574597.db2.gz	FLJFFSJNKZKBBA-UHFFFAOYSA-N	-1	2	269.301	0.354	20	0		CCADLM
Cc1c(C(=O)N2CC[C@H](c3nn[nH]n3)C2)ccc2c[nH+]cn21	ZINC001349002750	924865566	/nfs/dbraw/zinc/86/55/66/924865566.db2.gz	QWXRUKUEXVRQSQ-JTQLQIEISA-N	-1	2	297.322	0.786	20	0		CCADLM
CC(C)CN(Cc1nn[n-]n1)C(=O)[C@@H]1CCC[N@H+]1C1CC1	ZINC001363275606	929058818	/nfs/dbraw/zinc/05/88/18/929058818.db2.gz	IYQRRMDREOIADH-LBPRGKRZSA-N	-1	2	292.387	0.811	20	0		CCADLM
C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=NN(C)CC1=O	ZINC001589114862	956086514	/nfs/dbraw/zinc/08/65/14/956086514.db2.gz	XTPAJDKSZXEZFX-XHNCKOQMSA-N	-1	2	281.312	0.804	20	0		CCADLM
C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1nn(C)cc1O	ZINC001589114862	956086534	/nfs/dbraw/zinc/08/65/34/956086534.db2.gz	XTPAJDKSZXEZFX-XHNCKOQMSA-N	-1	2	281.312	0.804	20	0		CCADLM
N=C1NC(=O)[C@@H](CC(=O)NC[C@H](C(=O)[O-])C2CCC2)S1	ZINC001594654290	956495771	/nfs/dbraw/zinc/49/57/71/956495771.db2.gz	PHNCMUHUGXHOGA-JGVFFNPUSA-N	-1	2	299.352	0.160	20	0		CCADLM
C[C@@H](C(=O)[O-])N(C(=O)C[C@H]1SC(=N)NC1=O)C1CC1	ZINC001588585213	959301089	/nfs/dbraw/zinc/30/10/89/959301089.db2.gz	ZCRLUTGZMFJFAF-CAHLUQPWSA-N	-1	2	285.325	0.007	20	0		CCADLM
O=C([O-])[C@@H]1c2ccccc2OCC[N@H+]1Cc1n[nH]c(=O)[n-]1	ZINC001571038225	960549342	/nfs/dbraw/zinc/54/93/42/960549342.db2.gz	IZBCYUQRFKMOBZ-NSHDSACASA-N	-1	2	290.279	0.531	20	0		CCADLM
O=C([O-])[C@@H]1c2ccccc2OCC[N@@H+]1Cc1n[nH]c(=O)[n-]1	ZINC001571038225	960549359	/nfs/dbraw/zinc/54/93/59/960549359.db2.gz	IZBCYUQRFKMOBZ-NSHDSACASA-N	-1	2	290.279	0.531	20	0		CCADLM
CC(C)(O)CONC(=O)[C@@H](C(=O)[O-])C1CCCC1	ZINC001588795511	961386811	/nfs/dbraw/zinc/38/68/11/961386811.db2.gz	MRMQNSKYPWRURK-VIFPVBQESA-N	-1	2	259.302	0.696	20	0		CCADLM
CC(C)[C@@H](C(=O)[O-])C(=O)NOCc1ccccn1	ZINC001588808166	961492519	/nfs/dbraw/zinc/49/25/19/961492519.db2.gz	LWMWMCBKIDGEJF-SNVBAGLBSA-N	-1	2	252.270	0.986	20	0		CCADLM
O=C([O-])C1(C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)CCC1	ZINC001605912093	972780806	/nfs/dbraw/zinc/78/08/06/972780806.db2.gz	HYBHIEVANUGFNU-QMMMGPOBSA-N	-1	2	294.311	0.471	20	0		CCADLM
O=C([O-])[C@]1(C(=O)NCCc2n[nH]c(=S)o2)CC=CCC1	ZINC001605928471	972843605	/nfs/dbraw/zinc/84/36/05/972843605.db2.gz	DIMMEYPLBLXBBO-GFCCVEGCSA-N	-1	2	297.336	0.828	20	0		CCADLM
COC[C@@H](CCNC(=O)c1cccc2[nH]nnc21)OC	ZINC000617238692	365572853	/nfs/dbraw/zinc/57/28/53/365572853.db2.gz	JMIBJPMTEJPIMX-SECBINFHSA-N	-1	2	278.312	0.739	20	0		CCADLM
COc1ccc(=NC(=O)NCC(=O)OC(C)(C)C)[n-]n1	ZINC000346641627	137296249	/nfs/dbraw/zinc/29/62/49/137296249.db2.gz	WDALVMKILXBBBN-UHFFFAOYSA-N	-1	2	282.300	0.370	20	0		CCADLM
COc1ccc(=NC(=O)N2CCC(C)(CO)CC2)[n-]n1	ZINC000346642619	137296256	/nfs/dbraw/zinc/29/62/56/137296256.db2.gz	WTPJUGOUKPTRGZ-UHFFFAOYSA-N	-1	2	280.328	0.533	20	0		CCADLM
N=c1[n-]nc(CCNC(=O)Nc2ccccc2F)o1	ZINC000346644010	137296394	/nfs/dbraw/zinc/29/63/94/137296394.db2.gz	OAQCITMRMRPAJB-UHFFFAOYSA-N	-1	2	265.248	0.985	20	0		CCADLM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1	ZINC000055311562	348575310	/nfs/dbraw/zinc/57/53/10/348575310.db2.gz	CRPSIYGOSFDQBE-UHFFFAOYSA-N	-1	2	285.281	0.821	20	0		CCADLM
O=c1[nH]nc(SCCn2cc[nH+]c2)n1C[C@H]1CCCO1	ZINC000121864096	350059147	/nfs/dbraw/zinc/05/91/47/350059147.db2.gz	DYBHIFIVVGCBOR-SNVBAGLBSA-N	-1	2	295.368	0.739	20	0		CCADLM
C[C@@H](C(=O)[O-])C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1	ZINC000229336976	352090173	/nfs/dbraw/zinc/09/01/73/352090173.db2.gz	BZHGMBLPCMOZDI-ZCFIWIBFSA-N	-1	2	295.320	0.664	20	0		CCADLM
O=C1NC(=O)N2CC[N@H+](Cc3cncs3)C[C@H]12	ZINC000329272027	202261209	/nfs/dbraw/zinc/26/12/09/202261209.db2.gz	IJHDUHBLZUSPFK-MRVPVSSYSA-N	-1	2	252.299	0.719	20	0		CCADLM
CSc1nc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)n[nH]1	ZINC000567975585	358619495	/nfs/dbraw/zinc/61/94/95/358619495.db2.gz	XFBIEJFXWYCXCJ-SSDOTTSWSA-N	-1	2	278.341	0.924	20	0		CCADLM
CSc1n[nH]c(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)n1	ZINC000567975585	358619499	/nfs/dbraw/zinc/61/94/99/358619499.db2.gz	XFBIEJFXWYCXCJ-SSDOTTSWSA-N	-1	2	278.341	0.924	20	0		CCADLM
c1[nH]c2c([nH+]1)CC[C@@H](N=c1ncnc3[nH][nH]cc1-3)C2	ZINC000568820610	358707341	/nfs/dbraw/zinc/70/73/41/358707341.db2.gz	DAGHZRZSUQPBCP-SSDOTTSWSA-N	-1	2	255.285	0.419	20	0		CCADLM
Cn1ncnc1CCCNC(=O)c1cccc2[nH]nnc21	ZINC000627896592	369129206	/nfs/dbraw/zinc/12/92/06/369129206.db2.gz	JOPLOKFHGPQHPS-UHFFFAOYSA-N	-1	2	285.311	0.449	20	0		CCADLM
Nc1cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)ccn1	ZINC000330187595	389218326	/nfs/dbraw/zinc/21/83/26/389218326.db2.gz	TXJBFSRRRCWILP-VIFPVBQESA-N	-1	2	261.285	0.070	20	0		CCADLM
CCOC(=O)c1cc(=NC(=O)c2ccc(O)cc2O)[nH][n-]1	ZINC000540963635	390231907	/nfs/dbraw/zinc/23/19/07/390231907.db2.gz	WZKMSPCMHMXHND-UHFFFAOYSA-N	-1	2	291.263	0.672	20	0		CCADLM
O=C(NC[C@@H]1CCC[C@H]1O)c1cccc2[nH]nnc21	ZINC000583796618	390311827	/nfs/dbraw/zinc/31/18/27/390311827.db2.gz	VVIIETZVLMRNGI-GZMMTYOYSA-N	-1	2	260.297	0.849	20	0		CCADLM
O=C([O-])c1cc(N2CCO[C@H](C(=O)[O-])C2)cc[nH+]1	ZINC000096959940	544551912	/nfs/dbraw/zinc/55/19/12/544551912.db2.gz	JQUNMYSVJLHTPU-VIFPVBQESA-N	-1	2	252.226	0.070	20	0		CCADLM
Cc1cnc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)s1	ZINC000192662942	262207564	/nfs/dbraw/zinc/20/75/64/262207564.db2.gz	HIMXMBVUTKMKFT-GFCCVEGCSA-N	-1	2	280.353	0.626	20	0		CCADLM
O=C([O-])NCC(=O)N=c1nc(-c2ccsc2)[nH]s1	ZINC000367534293	534512367	/nfs/dbraw/zinc/51/23/67/534512367.db2.gz	UATPPTUJYFEEAD-UHFFFAOYSA-N	-1	2	284.322	0.895	20	0		CCADLM
C[NH+](C)Cc1ccsc1C(=O)NCc1nn[nH]n1	ZINC000674878654	545316918	/nfs/dbraw/zinc/31/69/18/545316918.db2.gz	KJWJJSURQPLPAQ-UHFFFAOYSA-N	-1	2	266.330	0.253	20	0		CCADLM
O=C([O-])Cc1ccccc1NS(=O)(=O)c1cn[nH]c1	ZINC000053200417	597313717	/nfs/dbraw/zinc/31/37/17/597313717.db2.gz	FTEVCYMOORNTFR-UHFFFAOYSA-N	-1	2	281.293	0.838	20	0		CCADLM
Cc1ccccc1S(=O)(=O)Nc1ncn(CC(=O)[O-])n1	ZINC000832981418	600987225	/nfs/dbraw/zinc/98/72/25/600987225.db2.gz	GVNCZJKNMBGQNG-UHFFFAOYSA-N	-1	2	296.308	0.472	20	0		CCADLM
O=C([O-])N[C@H](C(=O)NCc1n[nH]c(=O)[nH]1)c1ccccc1	ZINC000832788987	604058978	/nfs/dbraw/zinc/05/89/78/604058978.db2.gz	GFMRUNZKDGOAGB-VIFPVBQESA-N	-1	2	291.267	0.135	20	0		CCADLM
N=C1NC(=O)[C@H](CC(=O)N2CCC[C@@H]2CC(=O)[O-])S1	ZINC000833087814	604751868	/nfs/dbraw/zinc/75/18/68/604751868.db2.gz	DLZVTTMAGQSCQS-RQJHMYQMSA-N	-1	2	285.325	0.009	20	0		CCADLM
O=C([O-])NC1(C(=O)OCc2n[nH]c(=O)[nH]2)CCCCC1	ZINC000834155095	605955027	/nfs/dbraw/zinc/95/50/27/605955027.db2.gz	ZVDQJGNCKZCVNT-UHFFFAOYSA-N	-1	2	284.272	0.524	20	0		CCADLM
O=C([O-])NCc1nc(C(=O)OCc2n[nH]c(=O)[nH]2)cs1	ZINC000834248602	605955368	/nfs/dbraw/zinc/95/53/68/605955368.db2.gz	HGGKPWFSBXFTSN-UHFFFAOYSA-N	-1	2	299.268	0.091	20	0		CCADLM
O=C([O-])N(CC(=O)NOCc1cccnc1)C1CC1	ZINC000834001751	605971835	/nfs/dbraw/zinc/97/18/35/605971835.db2.gz	ORSFKBOQZZGWNI-UHFFFAOYSA-N	-1	2	265.269	0.772	20	0		CCADLM
CC(C)(C)c1ncsc1C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000816733715	614056276	/nfs/dbraw/zinc/05/62/76/614056276.db2.gz	IOGQRYBZECZRQU-UHFFFAOYSA-N	-1	2	283.313	0.827	20	0		CCADLM
CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)CCc1nn[nH]n1	ZINC000886599534	614200284	/nfs/dbraw/zinc/20/02/84/614200284.db2.gz	AQIXEIIXNZFFLL-LLVKDONJSA-N	-1	2	280.376	0.321	20	0		CCADLM
CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)CCc1nn[nH]n1	ZINC000886599534	614200285	/nfs/dbraw/zinc/20/02/85/614200285.db2.gz	AQIXEIIXNZFFLL-LLVKDONJSA-N	-1	2	280.376	0.321	20	0		CCADLM
COC(=O)c1cc(C(=O)OCc2c[nH+]cn2C)c[nH]1	ZINC000815968119	616832703	/nfs/dbraw/zinc/83/27/03/616832703.db2.gz	XHCCQHKGHAMBNB-UHFFFAOYSA-N	-1	2	263.253	0.892	20	0		CCADLM
COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c(Cl)c1O	ZINC001233397442	806055781	/nfs/dbraw/zinc/05/57/81/806055781.db2.gz	ADUBIEZRKHBKET-VHSXEESVSA-N	-1	2	287.743	0.839	20	0		CCADLM
OC[C@@]1([NH2+]Cc2ccc(O)c(F)c2F)CCOC1	ZINC001205304474	803133532	/nfs/dbraw/zinc/13/35/32/803133532.db2.gz	ADKSZUXXYLHJJU-LBPRGKRZSA-N	-1	2	259.252	0.911	20	0		CCADLM
CCOC(=O)c1nnc(C[NH2+]Cc2ccc(F)nc2)[n-]1	ZINC001207392663	803391940	/nfs/dbraw/zinc/39/19/40/803391940.db2.gz	MMMPQHQHYACCQY-UHFFFAOYSA-N	-1	2	279.275	0.805	20	0		CCADLM
Oc1cccnc1C[NH+]1CC2(CCN2Cc2cn[nH]c2)C1	ZINC001276590584	803548331	/nfs/dbraw/zinc/54/83/31/803548331.db2.gz	IZANZIUCJXJHJZ-UHFFFAOYSA-N	-1	2	285.351	0.971	20	0		CCADLM
O=c1nc2c(=O)[n-]c(=O)[nH]c2c(OC2CC(F)(F)C2)[nH]1	ZINC001226888672	805292994	/nfs/dbraw/zinc/29/29/94/805292994.db2.gz	UBFOEKBPONBEOE-UHFFFAOYSA-N	-1	2	286.194	0.713	20	0		CCADLM
COCCn1cc(-c2ccc([P@@](=O)([O-])O)cc2)cn1	ZINC001240631641	821620116	/nfs/dbraw/zinc/62/01/16/821620116.db2.gz	DRKJBOMUMBHWEN-UHFFFAOYSA-N	-1	2	282.236	1.000	20	0		CCADLM
COCCn1cc(-c2ccc([P@](=O)([O-])O)cc2)cn1	ZINC001240631641	821620119	/nfs/dbraw/zinc/62/01/19/821620119.db2.gz	DRKJBOMUMBHWEN-UHFFFAOYSA-N	-1	2	282.236	1.000	20	0		CCADLM
CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@H](c2nn[nH]n2)C1	ZINC001197297556	846889986	/nfs/dbraw/zinc/88/99/86/846889986.db2.gz	QBGIYGWDMTYZLC-BDAKNGLRSA-N	-1	2	253.306	0.331	20	0		CCADLM
Cc1c(C(=O)Nc2nn[nH]n2)cnn1-c1ccncc1	ZINC001116405722	855760257	/nfs/dbraw/zinc/76/02/57/855760257.db2.gz	HOOBEWSBHRHYGC-UHFFFAOYSA-N	-1	2	270.256	0.341	20	0		CCADLM
O=C(Nn1c(=O)[n-][nH]c1=O)c1cnc(CC2CC2)s1	ZINC001417883211	921675669	/nfs/dbraw/zinc/67/56/69/921675669.db2.gz	BVSZCBGVLRLVAI-UHFFFAOYSA-N	-1	2	281.297	0.482	20	0		CCADLM
O=C([O-])C12CCC(CC1)N2C(=O)CCc1ncn[nH]1	ZINC001332161400	917922687	/nfs/dbraw/zinc/92/26/87/917922687.db2.gz	HTLMVYBTZVZOLM-UHFFFAOYSA-N	-1	2	264.285	0.346	20	0		CCADLM
O=C([O-])[C@H]1CCCCCN1C(=O)CCc1ncn[nH]1	ZINC001333346430	918822763	/nfs/dbraw/zinc/82/27/63/918822763.db2.gz	CVLSRSPVYLJEFO-SECBINFHSA-N	-1	2	266.301	0.593	20	0		CCADLM
CN(C(=O)c1cc(C(=O)OC(C)(C)C)[n-]n1)c1nn[nH]n1	ZINC001363152422	928924383	/nfs/dbraw/zinc/92/43/83/928924383.db2.gz	TVJLFRQPKWSDAX-UHFFFAOYSA-N	-1	2	293.287	0.155	20	0		CCADLM
CN(C(=O)c1cc(C(=O)OC(C)(C)C)n[n-]1)c1nn[nH]n1	ZINC001363152422	928924393	/nfs/dbraw/zinc/92/43/93/928924393.db2.gz	TVJLFRQPKWSDAX-UHFFFAOYSA-N	-1	2	293.287	0.155	20	0		CCADLM
Cc1cc([C@@H]2CCCCN2C(=O)CCc2nn[nH]n2)[nH]n1	ZINC001363732001	929529287	/nfs/dbraw/zinc/52/92/87/929529287.db2.gz	ZAHPZOYYLOXABN-NSHDSACASA-N	-1	2	289.343	0.918	20	0		CCADLM
Cc1cc([C@@H]2CCCCN2C(=O)CCc2nn[nH]n2)n[nH]1	ZINC001363732001	929529295	/nfs/dbraw/zinc/52/92/95/929529295.db2.gz	ZAHPZOYYLOXABN-NSHDSACASA-N	-1	2	289.343	0.918	20	0		CCADLM
CO[C@H](C)c1nsc(NCCSCC(=O)[O-])n1	ZINC000389457562	972226513	/nfs/dbraw/zinc/22/65/13/972226513.db2.gz	ZIZARQOTCJPKBF-ZCFIWIBFSA-N	-1	2	277.371	0.897	20	0		CCADLM
Cc1nnc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)o1	ZINC000127703809	958620629	/nfs/dbraw/zinc/62/06/29/958620629.db2.gz	WMZDSCQBGUPZLI-UHFFFAOYSA-N	-1	2	272.242	0.205	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1	ZINC001594441332	959274131	/nfs/dbraw/zinc/27/41/31/959274131.db2.gz	FMORRANUTUEVOJ-IONNQARKSA-N	-1	2	298.368	0.774	20	0		CCADLM
C[C@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)c1nn(C)cc1O	ZINC001573622211	959518672	/nfs/dbraw/zinc/51/86/72/959518672.db2.gz	GCXQLIDTQNPXFE-YFKPBYRVSA-N	-1	2	279.256	0.038	20	0		CCADLM
CC(C)(O)CONC(=O)[C@H](C(=O)[O-])C1CCCC1	ZINC001588795509	961385688	/nfs/dbraw/zinc/38/56/88/961385688.db2.gz	MRMQNSKYPWRURK-SECBINFHSA-N	-1	2	259.302	0.696	20	0		CCADLM
O=C([O-])COCCOCCNC(=O)C(F)C(F)(F)F	ZINC001606278630	973658122	/nfs/dbraw/zinc/65/81/22/973658122.db2.gz	AKVBYXRXYLYWMQ-ZETCQYMHSA-N	-1	2	291.197	0.121	20	0		CCADLM
O=C([O-])COCCOCCNC(=O)[C@H](F)C(F)(F)F	ZINC001606278630	973658128	/nfs/dbraw/zinc/65/81/28/973658128.db2.gz	AKVBYXRXYLYWMQ-ZETCQYMHSA-N	-1	2	291.197	0.121	20	0		CCADLM
C[C@@H](NS(=O)(=O)c1onc(C2CC2)c1Cl)C(=O)[O-]	ZINC001599842647	988871969	/nfs/dbraw/zinc/87/19/69/988871969.db2.gz	UCYSVRLXWAPAGZ-SCSAIBSYSA-N	-1	2	294.716	0.957	20	0		CCADLM
COC(=O)CC[C@@H](NC(=O)C(F)C(F)(F)F)C(=O)[O-]	ZINC001598854756	996628599	/nfs/dbraw/zinc/62/85/99/996628599.db2.gz	BTHOTDMPXBTVQR-INEUFUBQSA-N	-1	2	289.181	0.409	20	0		CCADLM
COC(=O)CC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C(=O)[O-]	ZINC001598854756	996628603	/nfs/dbraw/zinc/62/86/03/996628603.db2.gz	BTHOTDMPXBTVQR-INEUFUBQSA-N	-1	2	289.181	0.409	20	0		CCADLM
COc1ccc(=NC(=O)N(CC(C)(C)O)C2CC2)[n-]n1	ZINC000346681187	137298713	/nfs/dbraw/zinc/29/87/13/137298713.db2.gz	KNYXQNSPHNZTPX-UHFFFAOYSA-N	-1	2	280.328	0.674	20	0		CCADLM
COc1ccc(=NC(=O)N(C)Cc2ccon2)[n-]n1	ZINC000346677759	137298718	/nfs/dbraw/zinc/29/87/18/137298718.db2.gz	VUADCSSRNMNDIS-UHFFFAOYSA-N	-1	2	263.257	0.559	20	0		CCADLM
O=c1[nH]nc(CCCN=c2[n-]c(C(F)(F)F)ns2)[nH]1	ZINC000342825629	355753229	/nfs/dbraw/zinc/75/32/29/355753229.db2.gz	QLFNRMTWCUZBPG-UHFFFAOYSA-N	-1	2	294.262	0.847	20	0		CCADLM
O=c1[nH]nc(CCCN=c2nc(C(F)(F)F)[n-]s2)[nH]1	ZINC000342825629	355753233	/nfs/dbraw/zinc/75/32/33/355753233.db2.gz	QLFNRMTWCUZBPG-UHFFFAOYSA-N	-1	2	294.262	0.847	20	0		CCADLM
COc1n[nH]c(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)n1	ZINC000376491094	357473014	/nfs/dbraw/zinc/47/30/14/357473014.db2.gz	JJXAFOHNNYZYBV-SSDOTTSWSA-N	-1	2	262.273	0.211	20	0		CCADLM
Cc1ccc(-n2cc(C(=O)N[C@H](C)C(=O)[O-])nn2)cc1	ZINC000237362009	219819101	/nfs/dbraw/zinc/81/91/01/219819101.db2.gz	PCKVPLFYLRZFDC-SECBINFHSA-N	-1	2	274.280	0.779	20	0		CCADLM
COC(=O)c1ccc(=NC[C@H](C(=O)[O-])C2CCC2)[nH]n1	ZINC000595977950	360753313	/nfs/dbraw/zinc/75/33/13/360753313.db2.gz	PPNSBHKUYQCCPM-VIFPVBQESA-N	-1	2	279.296	0.598	20	0		CCADLM
O=S(=O)(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ncc[nH]1	ZINC000632539874	371127962	/nfs/dbraw/zinc/12/79/62/371127962.db2.gz	RJXRSIHIDGCCDZ-MNOVXSKESA-N	-1	2	284.385	0.705	20	0		CCADLM
O=S(=O)(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ncc[nH]1	ZINC000632539875	371128478	/nfs/dbraw/zinc/12/84/78/371128478.db2.gz	RJXRSIHIDGCCDZ-QWRGUYRKSA-N	-1	2	284.385	0.705	20	0		CCADLM
CCCc1noc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)n1	ZINC000192639797	389046765	/nfs/dbraw/zinc/04/67/65/389046765.db2.gz	FGFJDRSROLKMJH-ZDUSSCGKSA-N	-1	2	293.327	0.196	20	0		CCADLM
C[N@@H+]1CC[C@@]2(CCN(C(=O)N=c3cccn[nH]3)C2)C1	ZINC000366601137	389307056	/nfs/dbraw/zinc/30/70/56/389307056.db2.gz	KARYDAWLQDGQLT-CYBMUJFWSA-N	-1	2	261.329	0.458	20	0		CCADLM
C[N@@H+]1CC[C@@H]2CN(C(=O)N=c3ncn(C(C)(C)C)[nH]3)C[C@@H]21	ZINC000567078237	390670167	/nfs/dbraw/zinc/67/01/67/390670167.db2.gz	BWGLLVNBBLMMTB-MNOVXSKESA-N	-1	2	292.387	0.623	20	0		CCADLM
C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CC1)c1nn[nH]n1	ZINC000578394698	390881520	/nfs/dbraw/zinc/88/15/20/390881520.db2.gz	PPIQYTRXNCYKOO-MWLCHTKSSA-N	-1	2	278.360	0.388	20	0		CCADLM
C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C1CC1)c1nn[nH]n1	ZINC000578394698	390881523	/nfs/dbraw/zinc/88/15/23/390881523.db2.gz	PPIQYTRXNCYKOO-MWLCHTKSSA-N	-1	2	278.360	0.388	20	0		CCADLM
CC(C)[C@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-]	ZINC000547599178	285959312	/nfs/dbraw/zinc/95/93/12/285959312.db2.gz	BHEXVNLEDRGBCE-WDSKDSINSA-N	-1	2	277.264	0.966	20	0		CCADLM
CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)NCC(F)(F)F	ZINC000126298191	286773166	/nfs/dbraw/zinc/77/31/66/286773166.db2.gz	VLIRGLSNDAPSNB-ZCFIWIBFSA-N	-1	2	292.279	0.568	20	0		CCADLM
O=C([O-])c1cc(S(=O)(=O)Nc2ccncc2)c[nH]1	ZINC000022159571	171363642	/nfs/dbraw/zinc/36/36/42/171363642.db2.gz	LGVOEFBTDHHQEO-UHFFFAOYSA-N	-1	2	267.266	0.909	20	0		CCADLM
CC(C)[C@H](CNC(=O)N=c1nc2n([nH]1)CCCC2)C(=O)[O-]	ZINC000653546380	412313900	/nfs/dbraw/zinc/31/39/00/412313900.db2.gz	CSDSXTNYGAADOD-VIFPVBQESA-N	-1	2	295.343	0.515	20	0		CCADLM
CO[C@H](CNS(=O)(=O)[C@H](C)C(F)(F)F)CC(=O)[O-]	ZINC000530542072	545101870	/nfs/dbraw/zinc/10/18/70/545101870.db2.gz	AAVJJIRFSPUEHM-RITPCOANSA-N	-1	2	293.263	0.346	20	0		CCADLM
Cc1n[nH]c(C(=O)NN2CCc3ccccc3C2=O)c1[O-]	ZINC000780717785	581242587	/nfs/dbraw/zinc/24/25/87/581242587.db2.gz	AOWCCRCTQSKIKD-UHFFFAOYSA-N	-1	2	286.291	0.767	20	0		CCADLM
Cc1[nH]nc(C(=O)[N-]N2CCc3ccccc3C2=O)c1O	ZINC000780717785	581242589	/nfs/dbraw/zinc/24/25/89/581242589.db2.gz	AOWCCRCTQSKIKD-UHFFFAOYSA-N	-1	2	286.291	0.767	20	0		CCADLM
C[C@@H]1CN(Cc2cc(=O)n3[nH]ccc3n2)CCN1C(=O)[O-]	ZINC000739185693	581519955	/nfs/dbraw/zinc/51/99/55/581519955.db2.gz	QLWOOGPDCHMRKF-SECBINFHSA-N	-1	2	291.311	0.207	20	0		CCADLM
O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1	ZINC000739549893	581570353	/nfs/dbraw/zinc/57/03/53/581570353.db2.gz	VGMNXNIYEBIOBE-RKDXNWHRSA-N	-1	2	289.247	0.689	20	0		CCADLM
O=C([O-])C[C@H](NC(=O)C1=NNC(=O)C1)c1cccs1	ZINC000739625991	581583388	/nfs/dbraw/zinc/58/33/88/581583388.db2.gz	DDJNLDTVOICDNB-LURJTMIESA-N	-1	2	281.293	0.256	20	0		CCADLM
O=C([O-])C[C@H](NC(=O)C1=NNC(=O)C1)c1ccccc1	ZINC000738563113	582062743	/nfs/dbraw/zinc/06/27/43/582062743.db2.gz	GVVMCXGYHRGASN-VIFPVBQESA-N	-1	2	275.264	0.195	20	0		CCADLM
Cn1cc(NS(=O)(=O)c2cn[nH]c2)cc1C(=O)[O-]	ZINC000833052833	601783813	/nfs/dbraw/zinc/78/38/13/601783813.db2.gz	LCSIONZZTAXFIG-UHFFFAOYSA-N	-1	2	270.270	0.247	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N2CCCN(C(=O)[O-])CC2)n1	ZINC000830679999	603684631	/nfs/dbraw/zinc/68/46/31/603684631.db2.gz	YQJGOCNMAAVZEQ-UHFFFAOYSA-N	-1	2	299.356	0.418	20	0		CCADLM
CCC[C@@](C)(NC(=O)C[C@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC000829193653	615028328	/nfs/dbraw/zinc/02/83/28/615028328.db2.gz	CHBMBDVXLWYDTD-KSBSHMNSSA-N	-1	2	287.341	0.302	20	0		CCADLM
COC(=O)C[N@@H+](C)CCCNC(=O)C(F)(F)F	ZINC000180492686	623604733	/nfs/dbraw/zinc/60/47/33/623604733.db2.gz	RVOJCPWWLFHPID-UHFFFAOYSA-N	-1	2	256.224	0.160	20	0		CCADLM
CSC[C@H](NC(=O)NCc1cn(C)cn1)C(=O)[O-]	ZINC000900309356	633988270	/nfs/dbraw/zinc/98/82/70/633988270.db2.gz	YQBAAROMDMBLSX-QMMMGPOBSA-N	-1	2	272.330	0.036	20	0		CCADLM
Cc1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)[nH]n1	ZINC000822201105	641652630	/nfs/dbraw/zinc/65/26/30/641652630.db2.gz	QWLFDSGSPUNTBL-UHFFFAOYSA-N	-1	2	259.273	0.781	20	0		CCADLM
C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H](CCF)C(=O)[O-]	ZINC000848680128	643667779	/nfs/dbraw/zinc/66/77/79/643667779.db2.gz	AWCJOETWMLEVFR-WHFBIAKZSA-N	-1	2	281.227	0.669	20	0		CCADLM
[NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1ccc2ccncc2c1	ZINC001218890000	804149103	/nfs/dbraw/zinc/14/91/03/804149103.db2.gz	ZAKMWAHGOSTGHR-NSHDSACASA-N	-1	2	283.295	0.256	20	0		CCADLM
COc1cc(C)c[nH+]c1NCCOP(=O)([O-])[O-]	ZINC001157792189	837443644	/nfs/dbraw/zinc/44/36/44/837443644.db2.gz	WFKUFKFHAQBJBB-UHFFFAOYSA-N	-1	2	262.202	0.920	20	0		CCADLM
Cn1c[nH+]c(CCNS(=O)(=O)c2ccco2)c1	ZINC001186867834	844614803	/nfs/dbraw/zinc/61/48/03/844614803.db2.gz	OGVMDQCSYQAWJT-UHFFFAOYSA-N	-1	2	255.299	0.534	20	0		CCADLM
O=C(NCc1n[nH]c(=O)[n-]1)c1cc(Cl)c(F)cc1O	ZINC001196477449	846751732	/nfs/dbraw/zinc/75/17/32/846751732.db2.gz	CNUUSHWYTSOSEM-UHFFFAOYSA-N	-1	2	286.650	0.938	20	0		CCADLM
COc1ccc(NCCOP(=O)([O-])[O-])[nH+]c1C	ZINC001168596530	897733889	/nfs/dbraw/zinc/73/38/89/897733889.db2.gz	VDKYAWOTCRKNLZ-UHFFFAOYSA-N	-1	2	262.202	0.920	20	0		CCADLM
CCC[N@H+](C)CC(=O)N[C@@H](C)c1nn(C)cc1O	ZINC001304545511	908170795	/nfs/dbraw/zinc/17/07/95/908170795.db2.gz	VGMDOOROTTZRRS-VIFPVBQESA-N	-1	2	254.334	0.645	20	0		CCADLM
Cc1nc(NCC[N@H+]2CCOC[C@@H]2C)cc(=O)[nH]1	ZINC001342880021	923120957	/nfs/dbraw/zinc/12/09/57/923120957.db2.gz	KNNSNDMHOHFMOX-VIFPVBQESA-N	-1	2	252.318	0.623	20	0		CCADLM
C[C@@H]1CN(C(=O)C[C@H]2SC(=N)NC2=O)CC[C@@H]1C(=O)[O-]	ZINC001589373593	954228055	/nfs/dbraw/zinc/22/80/55/954228055.db2.gz	VOZDYGJRQNJNPS-GJMOJQLCSA-N	-1	2	299.352	0.112	20	0		CCADLM
C[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1C)C1=NN(C)CC1=O	ZINC001589114033	956075917	/nfs/dbraw/zinc/07/59/17/956075917.db2.gz	AIVBFFQOLUPISG-LTMDPNIMSA-N	-1	2	267.285	0.414	20	0		CCADLM
C[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1C)c1nn(C)cc1O	ZINC001589114033	956075927	/nfs/dbraw/zinc/07/59/27/956075927.db2.gz	AIVBFFQOLUPISG-LTMDPNIMSA-N	-1	2	267.285	0.414	20	0		CCADLM
C[C@@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)c1nn(C)cc1O	ZINC001573622210	959518157	/nfs/dbraw/zinc/51/81/57/959518157.db2.gz	GCXQLIDTQNPXFE-RXMQYKEDSA-N	-1	2	279.256	0.038	20	0		CCADLM
CCCN(C(=O)C[C@H]1SC(=N)NC1=O)[C@@H](C)C(=O)[O-]	ZINC001571030556	960489076	/nfs/dbraw/zinc/48/90/76/960489076.db2.gz	KCQPSRVVSGXUMZ-NKWVEPMBSA-N	-1	2	287.341	0.255	20	0		CCADLM
CC(C)[C@@H](C(=O)[O-])C(=O)NCCc1n[nH]c(=S)o1	ZINC001588808077	961490583	/nfs/dbraw/zinc/49/05/83/961490583.db2.gz	QPRBGJXFAIIBQN-SSDOTTSWSA-N	-1	2	273.314	0.374	20	0		CCADLM
CC(C)(NC(=O)C(F)(F)F)C(=O)N1CC[C@@H]1C(=O)[O-]	ZINC001590840561	990707454	/nfs/dbraw/zinc/70/74/54/990707454.db2.gz	QRIPAMJCJIVERV-RXMQYKEDSA-N	-1	2	282.218	0.129	20	0		CCADLM
C[C@@](O)(CNC(=O)c1cc(F)cc(Cl)c1O)C(=O)[O-]	ZINC001593407769	995176591	/nfs/dbraw/zinc/17/65/91/995176591.db2.gz	SNGCMPMUCPESBY-LLVKDONJSA-N	-1	2	291.662	0.750	20	0		CCADLM
Cn1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cn1	ZINC000036983438	348177278	/nfs/dbraw/zinc/17/72/78/348177278.db2.gz	WRMSNUBSHXYROM-UHFFFAOYSA-N	-1	2	281.293	0.919	20	0		CCADLM
CCn1cc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])cn1	ZINC000539843493	290902261	/nfs/dbraw/zinc/90/22/61/290902261.db2.gz	ZJWWCCFUEBHKBJ-UHFFFAOYSA-N	-1	2	299.312	0.136	20	0		CCADLM
Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](OCCO)C2)on1	ZINC000246962051	352390921	/nfs/dbraw/zinc/39/09/21/352390921.db2.gz	YVHPIKUJVBPSJG-NWDGAFQWSA-N	-1	2	297.355	0.783	20	0		CCADLM
Cc1cc(=NC(=O)NC[C@@H]2CCC[N@H+]2C)[nH]nc1C	ZINC000531814057	358482285	/nfs/dbraw/zinc/48/22/85/358482285.db2.gz	MCLUJSZSOZELCP-NSHDSACASA-N	-1	2	263.345	0.731	20	0		CCADLM
CCc1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)o1	ZINC000335827083	355022462	/nfs/dbraw/zinc/02/24/62/355022462.db2.gz	HCPSTZYJGJDJER-NSHDSACASA-N	-1	2	263.297	0.578	20	0		CCADLM
COC(=O)CC[N@H+]1CCN(Cc2ncccc2O)[C@@H](C)C1	ZINC000558404856	291053959	/nfs/dbraw/zinc/05/39/59/291053959.db2.gz	KMBUWASEQOXPPI-LBPRGKRZSA-N	-1	2	293.367	0.856	20	0		CCADLM
COC1CN(C(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)C1	ZINC000331933288	204309607	/nfs/dbraw/zinc/30/96/07/204309607.db2.gz	FGBFPNMNINUDQH-UHFFFAOYSA-N	-1	2	298.364	0.837	20	0		CCADLM
CC[N@H+]1CCN(C(=O)CCCc2nn[nH]n2)[C@@H](C)C1	ZINC000635917673	373102498	/nfs/dbraw/zinc/10/24/98/373102498.db2.gz	AQODYKYNRHIPIT-JTQLQIEISA-N	-1	2	266.349	0.075	20	0		CCADLM
O=C([O-])CCC(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC000572403366	291877223	/nfs/dbraw/zinc/87/72/23/291877223.db2.gz	GILCQLUOBSMVRJ-ZETCQYMHSA-N	-1	2	268.273	0.081	20	0		CCADLM
O=C(N[C@@H]1CCCC[C@H]1O)c1cccc2[nH]nnc21	ZINC000188561401	388933397	/nfs/dbraw/zinc/93/33/97/388933397.db2.gz	HQYJHXGXGSKVDS-MWLCHTKSSA-N	-1	2	260.297	0.991	20	0		CCADLM
CC(C)(CCNS(=O)(=O)NCC(F)(F)F)C(=O)[O-]	ZINC000302598475	389075252	/nfs/dbraw/zinc/07/52/52/389075252.db2.gz	VTVTZDXDPPWIJX-UHFFFAOYSA-N	-1	2	292.279	0.474	20	0		CCADLM
C[C@H](c1nncn1C)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC000329627295	389178491	/nfs/dbraw/zinc/17/84/91/389178491.db2.gz	GWOHQNFQDWDQII-RKDXNWHRSA-N	-1	2	277.332	0.579	20	0		CCADLM
Cc1oncc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000350313630	389504863	/nfs/dbraw/zinc/50/48/63/389504863.db2.gz	AJZBOTSGVUEGPB-UHFFFAOYSA-N	-1	2	285.281	0.821	20	0		CCADLM
Cc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cn1	ZINC000545199290	390318584	/nfs/dbraw/zinc/31/85/84/390318584.db2.gz	DNXGSEMDAVNRLP-LLVKDONJSA-N	-1	2	260.297	0.126	20	0		CCADLM
O=C(NCC[C@@]1(O)CCCOC1)c1cccc2[nH]nnc21	ZINC000652951270	412172760	/nfs/dbraw/zinc/17/27/60/412172760.db2.gz	QWQTWHRZTCUZFV-AWEZNQCLSA-N	-1	2	290.323	0.619	20	0		CCADLM
O=C([O-])Cn1cc(S(=O)(=O)Nc2cccnc2)cn1	ZINC000035651605	172328145	/nfs/dbraw/zinc/32/81/45/172328145.db2.gz	DPDIKGPNKRGNHN-UHFFFAOYSA-N	-1	2	282.281	0.164	20	0		CCADLM
Cc1n[nH]c(C)c1S(=O)(=O)Nc1cnn(CC(=O)[O-])c1	ZINC000038030522	174022541	/nfs/dbraw/zinc/02/25/41/174022541.db2.gz	VRRXWQXJKBPEJJ-UHFFFAOYSA-N	-1	2	299.312	0.108	20	0		CCADLM
C[C@H](O)CN1CC[N@H+](Cc2ncccc2O)[C@@H](C)C1	ZINC000582872081	329278725	/nfs/dbraw/zinc/27/87/25/329278725.db2.gz	TUFCWTJOJBNGSQ-RYUDHWBXSA-N	-1	2	265.357	0.674	20	0		CCADLM
O=C([O-])[C@H](NS(=O)(=O)CC(F)(F)F)C1CC1	ZINC000576700338	335236579	/nfs/dbraw/zinc/23/65/79/335236579.db2.gz	CCZHPMCEKUFEAF-RXMQYKEDSA-N	-1	2	261.221	0.331	20	0		CCADLM
C[N@@H+](CC(=O)Nc1ccncc1)C(C)(C)C(=O)[O-]	ZINC000737399860	581953420	/nfs/dbraw/zinc/95/34/20/581953420.db2.gz	RKGMCYZTKLVAPK-UHFFFAOYSA-N	-1	2	251.286	0.237	20	0		CCADLM
COC(=O)[C@@](C)([NH2+]CCCNC(=O)C(F)(F)F)C1CC1	ZINC000774764924	581996183	/nfs/dbraw/zinc/99/61/83/581996183.db2.gz	GFJZTGFCQDNDLM-NSHDSACASA-N	-1	2	296.289	0.986	20	0		CCADLM
O[C@H](CNc1[nH+]c2c(cc1-c1nn[nH]n1)CCC2)C1CC1	ZINC000738383077	582041900	/nfs/dbraw/zinc/04/19/00/582041900.db2.gz	NVEZVVBWZZBKMZ-GFCCVEGCSA-N	-1	2	286.339	0.933	20	0		CCADLM
O=C([O-])[C@H]1CN(Cc2nc(=O)c3sccc3[nH]2)CCO1	ZINC000043703925	599977419	/nfs/dbraw/zinc/97/74/19/599977419.db2.gz	FEXYOVDERDJKPJ-MRVPVSSYSA-N	-1	2	295.320	0.270	20	0		CCADLM
O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCCCc2n[nH]c(=O)[nH]2)C1	ZINC000833182941	601212771	/nfs/dbraw/zinc/21/27/71/601212771.db2.gz	LSKVBTKZHJDATC-RKDXNWHRSA-N	-1	2	296.327	0.450	20	0		CCADLM
Cc1ccc2c(n1)[nH]cc(C(=O)N[C@H](C)C(=O)[O-])c2=O	ZINC000821103420	602273630	/nfs/dbraw/zinc/27/36/30/602273630.db2.gz	GYQKVEVIIJXPCK-SSDOTTSWSA-N	-1	2	275.264	0.847	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N2CCC[C@H]2CNC(=O)[O-])n1	ZINC000830677664	603862739	/nfs/dbraw/zinc/86/27/39/603862739.db2.gz	INOQNNNVDDJBTD-QMMMGPOBSA-N	-1	2	299.356	0.464	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N2CCC[C@@H]2CNC(=O)[O-])n1	ZINC000830677656	603862783	/nfs/dbraw/zinc/86/27/83/603862783.db2.gz	INOQNNNVDDJBTD-MRVPVSSYSA-N	-1	2	299.356	0.464	20	0		CCADLM
CC(C)N1CC[C@H](NCc2ccc(-c3nn[nH]n3)o2)C1=O	ZINC000820126652	614389366	/nfs/dbraw/zinc/38/93/66/614389366.db2.gz	CUEHFQJEDIKOTK-JTQLQIEISA-N	-1	2	290.327	0.559	20	0		CCADLM
CCCO[N-]C(=O)CSCC(=O)NOCCC	ZINC000844084506	614944614	/nfs/dbraw/zinc/94/46/14/614944614.db2.gz	TXJHFDKXJFWFDD-UHFFFAOYSA-N	-1	2	264.347	0.635	20	0		CCADLM
O=C([O-])COCCNC(=O)c1cc(F)c(O)c(F)c1	ZINC000902292522	634353154	/nfs/dbraw/zinc/35/31/54/634353154.db2.gz	PXFKPDDRAIBPPR-UHFFFAOYSA-N	-1	2	275.207	0.501	20	0		CCADLM
CC(=O)C[C@@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-]	ZINC000863407419	645092760	/nfs/dbraw/zinc/09/27/60/645092760.db2.gz	HZOGWSMADCFSKB-NTSWFWBYSA-N	-1	2	291.247	0.289	20	0		CCADLM
O=[P@@]([O-])(O)Oc1ccc(OC2COCOC2)cc1	ZINC001234340582	806227318	/nfs/dbraw/zinc/22/73/18/806227318.db2.gz	UHHQWIJVCNEVNB-UHFFFAOYSA-N	-1	2	276.181	0.910	20	0		CCADLM
O=[P@]([O-])(O)Oc1ccc(OC2COCOC2)cc1	ZINC001234340582	806227322	/nfs/dbraw/zinc/22/73/22/806227322.db2.gz	UHHQWIJVCNEVNB-UHFFFAOYSA-N	-1	2	276.181	0.910	20	0		CCADLM
CCOC(=O)c1c[nH]c(NC(=O)c2cnc(C[NH3+])s2)n1	ZINC001218527036	803987202	/nfs/dbraw/zinc/98/72/02/803987202.db2.gz	CDBXBCILSNVHPN-UHFFFAOYSA-N	-1	2	295.324	0.754	20	0		CCADLM
C[C@H]1CN(C(=O)C(F)F)CC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1	ZINC001035869729	819644275	/nfs/dbraw/zinc/64/42/75/819644275.db2.gz	UWGRBGHKHFUCLE-BQBZGAKWSA-N	-1	2	289.286	0.102	20	0		CCADLM
Cn1c[nH+]cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001198741562	847155267	/nfs/dbraw/zinc/15/52/67/847155267.db2.gz	OYPHAOLCVZQDGD-UHFFFAOYSA-N	-1	2	281.293	0.919	20	0		CCADLM
NC(=O)c1ccc(-c2ccc([P@@](=O)([O-])O)cc2)cn1	ZINC001239567196	897809478	/nfs/dbraw/zinc/80/94/78/897809478.db2.gz	UEAGSOQSDDMPGV-UHFFFAOYSA-N	-1	2	278.204	0.651	20	0		CCADLM
NC(=O)c1ccc(-c2ccc([P@](=O)([O-])O)cc2)cn1	ZINC001239567196	897809492	/nfs/dbraw/zinc/80/94/92/897809492.db2.gz	UEAGSOQSDDMPGV-UHFFFAOYSA-N	-1	2	278.204	0.651	20	0		CCADLM
CCC(CC)(NC(=O)c1cncc(O)c1)c1nn[n-]n1	ZINC001362499479	928102090	/nfs/dbraw/zinc/10/20/90/928102090.db2.gz	WSSUGCWYCPEAEE-UHFFFAOYSA-N	-1	2	276.300	0.746	20	0		CCADLM
CN(C(=O)c1ccc(Br)cc1[O-])c1nn[nH]n1	ZINC001363051289	928810863	/nfs/dbraw/zinc/81/08/63/928810863.db2.gz	LWWPJZWQSBNTCA-UHFFFAOYSA-N	-1	2	298.100	0.944	20	0		CCADLM
O=C(CC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1)N1CCCC1	ZINC001363246945	929022009	/nfs/dbraw/zinc/02/20/09/929022009.db2.gz	FRDYSVJICLLKKQ-NSHDSACASA-N	-1	2	293.371	0.702	20	0		CCADLM
O=C([O-])[C@@H]1CC[C@H](C(=O)NCCc2n[nH]c(=S)o2)C1	ZINC001594765757	953529624	/nfs/dbraw/zinc/52/96/24/953529624.db2.gz	RAPCHRNZPRFVGU-NKWVEPMBSA-N	-1	2	285.325	0.518	20	0		CCADLM
O=C([O-])[C@H]1CN(C(=O)C(F)C(F)(F)F)CCO1	ZINC001594941591	954900990	/nfs/dbraw/zinc/90/09/90/954900990.db2.gz	VPWUHQGOASXIAP-UHNVWZDZSA-N	-1	2	259.155	0.199	20	0		CCADLM
O=C([O-])[C@H]1CN(C(=O)[C@H](F)C(F)(F)F)CCO1	ZINC001594941591	954900994	/nfs/dbraw/zinc/90/09/94/954900994.db2.gz	VPWUHQGOASXIAP-UHNVWZDZSA-N	-1	2	259.155	0.199	20	0		CCADLM
C[C@@]1(C(=O)[O-])CCCN1C(=O)C[C@H]1SC(=N)NC1=O	ZINC001589183454	956546486	/nfs/dbraw/zinc/54/64/86/956546486.db2.gz	CHJLLQFMXLZNDZ-KBUNVGBDSA-N	-1	2	285.325	0.009	20	0		CCADLM
COCCCONC(=O)[C@H](C(=O)[O-])C1CCCC1	ZINC001593994826	956872196	/nfs/dbraw/zinc/87/21/96/956872196.db2.gz	UJEPMMRJGZDEHY-SNVBAGLBSA-N	-1	2	259.302	0.962	20	0		CCADLM
C[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=NN(C)CC1=O	ZINC001573568845	959306371	/nfs/dbraw/zinc/30/63/71/959306371.db2.gz	GKJJGTXFQLHYAQ-GJMOJQLCSA-N	-1	2	267.285	0.414	20	0		CCADLM
C[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1nn(C)cc1O	ZINC001573568845	959306388	/nfs/dbraw/zinc/30/63/88/959306388.db2.gz	GKJJGTXFQLHYAQ-GJMOJQLCSA-N	-1	2	267.285	0.414	20	0		CCADLM
Cc1cccc([C@@H](NCc2n[nH]c(=O)[nH]2)C(=O)[O-])c1	ZINC001605328863	973189796	/nfs/dbraw/zinc/18/97/96/973189796.db2.gz	FJBMELCQOQPHIY-SNVBAGLBSA-N	-1	2	262.269	0.734	20	0		CCADLM
COCc1nnc(CNC(=O)c2cc(C(=O)[O-])oc2C)[nH]1	ZINC001599305866	997312371	/nfs/dbraw/zinc/31/23/71/997312371.db2.gz	ADFHKWQQYMVIOE-UHFFFAOYSA-N	-1	2	294.267	0.481	20	0		CCADLM
COc1ccc(=NC(=O)NC[C@@H]2CCC[C@@H](O)C2)[n-]n1	ZINC000346678482	137298744	/nfs/dbraw/zinc/29/87/44/137298744.db2.gz	YLANEBGNLRDSRQ-NXEZZACHSA-N	-1	2	280.328	0.580	20	0		CCADLM
COc1ccc(=NC(=O)N(C)CC[C@@H](C)O)[n-]n1	ZINC000346677773	137298786	/nfs/dbraw/zinc/29/87/86/137298786.db2.gz	VVQYDOHUCYRMOV-MRVPVSSYSA-N	-1	2	254.290	0.142	20	0		CCADLM
CS[C@@H](CO)[C@@H](C)NC(=O)c1cccc2[nH]nnc21	ZINC000163670572	350770262	/nfs/dbraw/zinc/77/02/62/350770262.db2.gz	UKRQHMGRSGEPHJ-XCBNKYQSSA-N	-1	2	280.353	0.800	20	0		CCADLM
COc1ncccc1C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O	ZINC000192662408	351792456	/nfs/dbraw/zinc/79/24/56/351792456.db2.gz	RBXSWKBYTHKZQE-CQSZACIVSA-N	-1	2	290.323	0.264	20	0		CCADLM
CCCc1nc(C)c(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)o1	ZINC000573184134	358945017	/nfs/dbraw/zinc/94/50/17/358945017.db2.gz	FFLLYLAMVCEZMM-JTQLQIEISA-N	-1	2	292.339	0.672	20	0		CCADLM
O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(=O)[nH]cn1	ZINC000626213053	368489654	/nfs/dbraw/zinc/48/96/54/368489654.db2.gz	HLCXSGTXXJZFCJ-SSDOTTSWSA-N	-1	2	259.269	0.193	20	0		CCADLM
O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(=O)[nH]cn1	ZINC000626213053	368489657	/nfs/dbraw/zinc/48/96/57/368489657.db2.gz	HLCXSGTXXJZFCJ-SSDOTTSWSA-N	-1	2	259.269	0.193	20	0		CCADLM
Cc1cc(S(=O)(=O)NCc2c[nH]c[nH+]2)sn1	ZINC000632588039	371165966	/nfs/dbraw/zinc/16/59/66/371165966.db2.gz	CFIUXQMAXUCMQP-UHFFFAOYSA-N	-1	2	258.328	0.653	20	0		CCADLM
O=C(N[C@H](CO)C1CCOCC1)c1cccc2[nH]nnc21	ZINC000574389063	335015110	/nfs/dbraw/zinc/01/51/10/335015110.db2.gz	MRWNBUUNKLJCBD-GFCCVEGCSA-N	-1	2	290.323	0.475	20	0		CCADLM
COc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1C	ZINC000355314189	389058922	/nfs/dbraw/zinc/05/89/22/389058922.db2.gz	UYGKOGUXKANYLZ-GFCCVEGCSA-N	-1	2	289.335	0.740	20	0		CCADLM
Cn1ncc2c1[nH]cc(C(=O)NCCCCO)c2=O	ZINC000194992355	389113317	/nfs/dbraw/zinc/11/33/17/389113317.db2.gz	AVOWOCZIPAFRFW-UHFFFAOYSA-N	-1	2	264.285	0.176	20	0		CCADLM
Cn1cc(CNC(=O)c2cccc3[nH]nnc32)cn1	ZINC000182737674	389715871	/nfs/dbraw/zinc/71/58/71/389715871.db2.gz	GPLREBRDDDQBBL-UHFFFAOYSA-N	-1	2	256.269	0.621	20	0		CCADLM
C[C@@H](CNS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-]	ZINC000381373148	389765023	/nfs/dbraw/zinc/76/50/23/389765023.db2.gz	IDHGOQKVOGRIAC-WHFBIAKZSA-N	-1	2	263.237	0.577	20	0		CCADLM
O=c1[nH]nc(CCCN=c2[n-]nc(C(F)F)o2)[nH]1	ZINC000432314392	389877112	/nfs/dbraw/zinc/87/71/12/389877112.db2.gz	NYVUHLIJFTWIHY-UHFFFAOYSA-N	-1	2	260.204	0.298	20	0		CCADLM
N=c1[n-]nc(CNC(=O)c2cc(F)cc(Cl)c2O)o1	ZINC000436983162	389989101	/nfs/dbraw/zinc/98/91/01/389989101.db2.gz	JEAPABUOIFZMEM-UHFFFAOYSA-N	-1	2	286.650	0.910	20	0		CCADLM
C[C@H]1[C@@H](NC(=O)c2cccc3[nH]nnc32)CCS1(=O)=O	ZINC000554375316	390425811	/nfs/dbraw/zinc/42/58/11/390425811.db2.gz	RADVDVKQELIVQH-CBAPKCEASA-N	-1	2	294.336	0.263	20	0		CCADLM
COc1ccccc1[C@H](CNC(=O)c1cn[nH]n1)[NH+](C)C	ZINC000341727268	130000420	/nfs/dbraw/zinc/00/04/20/130000420.db2.gz	NGXBISOEDDJJFC-LBPRGKRZSA-N	-1	2	289.339	0.846	20	0		CCADLM
COc1ccccc1[C@H](CNC(=O)c1cnn[nH]1)[NH+](C)C	ZINC000341727268	130000421	/nfs/dbraw/zinc/00/04/21/130000421.db2.gz	NGXBISOEDDJJFC-LBPRGKRZSA-N	-1	2	289.339	0.846	20	0		CCADLM
O=C([O-])Cn1cc(S(=O)(=O)Nc2nccs2)cn1	ZINC000035651575	172328258	/nfs/dbraw/zinc/32/82/58/172328258.db2.gz	AVWFDACTDRZVJX-UHFFFAOYSA-N	-1	2	288.310	0.225	20	0		CCADLM
O=C1NC(=O)N2CC[N@@H+](Cc3cnc4ccccc4n3)C[C@H]12	ZINC000660147468	414156380	/nfs/dbraw/zinc/15/63/80/414156380.db2.gz	NNXWJUDIGFQFKW-CYBMUJFWSA-N	-1	2	297.318	0.366	20	0		CCADLM
O=C([O-])c1cccc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)[nH+]1	ZINC000662896873	414876193	/nfs/dbraw/zinc/87/61/93/414876193.db2.gz	QDDBJXSTYMPONP-NBEYISGCSA-N	-1	2	266.253	0.416	20	0		CCADLM
Cc1nn(-c2ccccc2)c(=NC(=O)c2n[nH]c(C)c2[O-])[nH]1	ZINC000676700365	545349060	/nfs/dbraw/zinc/34/90/60/545349060.db2.gz	PFILZFXJYFASTH-UHFFFAOYSA-N	-1	2	298.306	0.987	20	0		CCADLM
C[C@@H]1COCC[N@H+]1CCNc1ccc(-c2nn[nH]n2)cn1	ZINC000736295074	581732455	/nfs/dbraw/zinc/73/24/55/581732455.db2.gz	YDUYCGNUQIHUFR-SNVBAGLBSA-N	-1	2	289.343	0.394	20	0		CCADLM
O=C([O-])[C@@H]1CN(C(=O)c2c(O)cc(F)cc2F)CCO1	ZINC000738546843	582060997	/nfs/dbraw/zinc/06/09/97/582060997.db2.gz	BMLKGWZTBBYJET-VIFPVBQESA-N	-1	2	287.218	0.596	20	0		CCADLM
O=C([O-])c1ccc(NC(=O)NCc2n[nH]c(=O)[nH]2)c(F)c1	ZINC000392327794	602364977	/nfs/dbraw/zinc/36/49/77/602364977.db2.gz	UYUDTBUUQGCRHP-UHFFFAOYSA-N	-1	2	295.230	0.669	20	0		CCADLM
O=C(C[C@@H]1CCCN1C(=O)[O-])NCCCc1n[nH]c(=O)[nH]1	ZINC000831326449	603942440	/nfs/dbraw/zinc/94/24/40/603942440.db2.gz	JKCHZRBYCBLGJW-QMMMGPOBSA-N	-1	2	297.315	0.092	20	0		CCADLM
O=C([O-])c1ccc(C(=O)NCc2n[nH]c(=O)[nH]2)cc1F	ZINC000833147464	604300351	/nfs/dbraw/zinc/30/03/51/604300351.db2.gz	FIVGTULRRALZRM-UHFFFAOYSA-N	-1	2	280.215	0.278	20	0		CCADLM
O=C([O-])N[C@H](C(=O)OCc1n[nH]c(=O)[nH]1)c1ccccc1	ZINC000834256241	605955668	/nfs/dbraw/zinc/95/56/68/605955668.db2.gz	HSBKAQHGYOVDRP-VIFPVBQESA-N	-1	2	292.251	0.562	20	0		CCADLM
C[C@@H]1[C@@H](C)N(C(=O)[O-])CCN1Cc1n[nH]c(=O)[nH]1	ZINC000833825316	606039034	/nfs/dbraw/zinc/03/90/34/606039034.db2.gz	BAUBMMRQEIWCGI-RNFRBKRXSA-N	-1	2	255.278	0.083	20	0		CCADLM
CCc1cc(=O)[nH]c(C[N@@H+]2CCC(OC)(OC)[C@H](O)C2)n1	ZINC000931635204	615658984	/nfs/dbraw/zinc/65/89/84/615658984.db2.gz	SUOIXTDWGBYRCS-LLVKDONJSA-N	-1	2	297.355	0.300	20	0		CCADLM
CN(Cc1nc(=O)o[n-]1)C(=O)C(F)C(F)(F)F	ZINC000880390881	616102379	/nfs/dbraw/zinc/10/23/79/616102379.db2.gz	XQTKDWBIQVELJG-BYPYZUCNSA-N	-1	2	257.143	0.222	20	0		CCADLM
CN(Cc1nc(=O)o[n-]1)C(=O)[C@H](F)C(F)(F)F	ZINC000880390881	616102380	/nfs/dbraw/zinc/10/23/80/616102380.db2.gz	XQTKDWBIQVELJG-BYPYZUCNSA-N	-1	2	257.143	0.222	20	0		CCADLM
O=C([O-])C(F)(F)CNS(=O)(=O)CC1(F)CC1	ZINC000906000060	634946220	/nfs/dbraw/zinc/94/62/20/634946220.db2.gz	SJOCYYRQVTXREJ-UHFFFAOYSA-N	-1	2	261.221	0.128	20	0		CCADLM
C[C@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)CCC1=O	ZINC000801943103	640678238	/nfs/dbraw/zinc/67/82/38/640678238.db2.gz	KAKXJDBCGXIWKP-QMMMGPOBSA-N	-1	2	266.263	0.966	20	0		CCADLM
O=C(NCCOP(=O)([O-])[O-])c1cc2c[nH+]ccc2[nH]1	ZINC001151975929	800476469	/nfs/dbraw/zinc/47/64/69/800476469.db2.gz	KPAPYHQPHRPHCQ-UHFFFAOYSA-N	-1	2	285.196	0.402	20	0		CCADLM
O=C([O-])C1(C(=O)N[C@@H]2SC(=O)NC2=O)CCCCC1	ZINC001180439446	843167028	/nfs/dbraw/zinc/16/70/28/843167028.db2.gz	XIZIZBAAJOEKHJ-SSDOTTSWSA-N	-1	2	286.309	0.447	20	0		CCADLM
O=C([O-])CCCCC(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC001329169592	915724376	/nfs/dbraw/zinc/72/43/76/915724376.db2.gz	RITOUSICKRBNRE-VIFPVBQESA-N	-1	2	296.327	0.861	20	0		CCADLM
CC[N@@H+]1CC[C@H]1C(=O)Nc1cccc(Cc2nn[nH]n2)c1	ZINC001362976135	928716776	/nfs/dbraw/zinc/71/67/76/928716776.db2.gz	GKOVGRUFGSRCDM-LBPRGKRZSA-N	-1	2	286.339	0.823	20	0		CCADLM
CC[N@H+]1CC[C@H]1C(=O)Nc1cccc(Cc2nn[nH]n2)c1	ZINC001362976135	928716782	/nfs/dbraw/zinc/71/67/82/928716782.db2.gz	GKOVGRUFGSRCDM-LBPRGKRZSA-N	-1	2	286.339	0.823	20	0		CCADLM
Cc1nnc(NS(=O)(=O)c2ccc(C(=O)[O-])o2)o1	ZINC000127707400	958621252	/nfs/dbraw/zinc/62/12/52/958621252.db2.gz	DYZNYXZURDNTHF-UHFFFAOYSA-N	-1	2	273.226	0.470	20	0		CCADLM
C[C@@H](NC(=O)c1cc(C(=O)[O-])nn1C)c1nn(C)cc1O	ZINC001573622778	959524101	/nfs/dbraw/zinc/52/41/01/959524101.db2.gz	OLUZHODXBZFQPN-ZCFIWIBFSA-N	-1	2	293.283	0.048	20	0		CCADLM
CC(C)(NC(=O)C(F)(F)F)C(=O)NCCC(=O)[O-]	ZINC001609789226	970527493	/nfs/dbraw/zinc/52/74/93/970527493.db2.gz	FKYMDQOOOTVACW-UHFFFAOYSA-N	-1	2	270.207	0.034	20	0		CCADLM
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NOCCCC(=O)[O-])C1	ZINC001594624495	986684923	/nfs/dbraw/zinc/68/49/23/986684923.db2.gz	VXXUYTFDMGALDQ-WCBMZHEXSA-N	-1	2	281.312	0.988	20	0		CCADLM
O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cn[nH]n1	ZINC000531681230	358477608	/nfs/dbraw/zinc/47/76/08/358477608.db2.gz	ZULUCUYMCQNTDA-PWSUYJOCSA-N	-1	2	279.344	0.178	20	0		CCADLM
O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cnn[nH]1	ZINC000531681230	358477609	/nfs/dbraw/zinc/47/76/09/358477609.db2.gz	ZULUCUYMCQNTDA-PWSUYJOCSA-N	-1	2	279.344	0.178	20	0		CCADLM
C[N@@H+]1CCC[C@H]1CNC(=O)N=c1nc2n([nH]1)CCCC2	ZINC000626583772	368583572	/nfs/dbraw/zinc/58/35/72/368583572.db2.gz	SZCQDRYGILWLFN-JTQLQIEISA-N	-1	2	278.360	0.252	20	0		CCADLM
Cc1n[nH]c(=NC[C@@]2(C(=O)[O-])CCCOC2)s1	ZINC000630463221	370126529	/nfs/dbraw/zinc/12/65/29/370126529.db2.gz	JUCUZGKEJMTUJK-JTQLQIEISA-N	-1	2	257.315	0.562	20	0		CCADLM
C[N@@H+]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1C(C)(C)C	ZINC000639746784	375974667	/nfs/dbraw/zinc/97/46/67/375974667.db2.gz	MXFXOCRVPRPHTL-SECBINFHSA-N	-1	2	253.350	0.672	20	0		CCADLM
COc1ccc(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(O)c1	ZINC000152116349	389284115	/nfs/dbraw/zinc/28/41/15/389284115.db2.gz	MDZANQLJIXPATD-JSGCOSHPSA-N	-1	2	292.335	0.556	20	0		CCADLM
CC(C)[C@@H](O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC000367788330	389358138	/nfs/dbraw/zinc/35/81/38/389358138.db2.gz	AHEWPEDNPYFCGK-ZJUUUORDSA-N	-1	2	254.334	0.707	20	0		CCADLM
Cc1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1F	ZINC000336398676	389635933	/nfs/dbraw/zinc/63/59/33/389635933.db2.gz	AZVGMAOJDIWWPV-GFCCVEGCSA-N	-1	2	277.299	0.870	20	0		CCADLM
C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CC1)c1nn[nH]n1	ZINC000578394696	390881368	/nfs/dbraw/zinc/88/13/68/390881368.db2.gz	PPIQYTRXNCYKOO-GXSJLCMTSA-N	-1	2	278.360	0.388	20	0		CCADLM
C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C1CC1)c1nn[nH]n1	ZINC000578394696	390881370	/nfs/dbraw/zinc/88/13/70/390881370.db2.gz	PPIQYTRXNCYKOO-GXSJLCMTSA-N	-1	2	278.360	0.388	20	0		CCADLM
O=C([O-])c1ccc(S(=O)(=O)Nc2cn[nH]c2)s1	ZINC000038058707	174068921	/nfs/dbraw/zinc/06/89/21/174068921.db2.gz	JSYYKRCZLMYVKE-UHFFFAOYSA-N	-1	2	273.295	0.970	20	0		CCADLM
CCn1cc(S(=O)(=O)Nc2cnn(C)c2)cc1C(=O)[O-]	ZINC000036864346	544420923	/nfs/dbraw/zinc/42/09/23/544420923.db2.gz	IXOZJMPZWBGMAR-UHFFFAOYSA-N	-1	2	298.324	0.741	20	0		CCADLM
COC[C@@H](CNC(=O)C(F)(F)F)[N-]C(=O)C(F)(F)F	ZINC000783729526	581357781	/nfs/dbraw/zinc/35/77/81/581357781.db2.gz	OFMJUYUNQVVAQR-SCSAIBSYSA-N	-1	2	296.167	0.358	20	0		CCADLM
CCO[N-]C(=O)C(C)(C)[NH+]1CCN(C(=O)[O-])CC1	ZINC000739488080	581561828	/nfs/dbraw/zinc/56/18/28/581561828.db2.gz	RRTKOMMYMDBYJJ-UHFFFAOYSA-N	-1	2	259.306	0.128	20	0		CCADLM
Cc1ccc(C(=O)NCc2n[nH]c(=O)[nH]2)cc1NC(=O)[O-]	ZINC000830220601	603953280	/nfs/dbraw/zinc/95/32/80/603953280.db2.gz	ZEVPTLDLUMJYRN-UHFFFAOYSA-N	-1	2	291.267	0.839	20	0		CCADLM
O=C([O-])Nc1ccc(C(=O)NCc2n[nH]c(=O)[nH]2)cc1	ZINC000832832656	603954131	/nfs/dbraw/zinc/95/41/31/603954131.db2.gz	ATTYJCOXEJBSMG-UHFFFAOYSA-N	-1	2	277.240	0.530	20	0		CCADLM
O=C(CC[C@@H]1CCCN1C(=O)[O-])NCc1n[nH]c(=O)[nH]1	ZINC000833997452	605495665	/nfs/dbraw/zinc/49/56/65/605495665.db2.gz	CJESTDMGLJWQPI-ZETCQYMHSA-N	-1	2	283.288	0.049	20	0		CCADLM
CCO[N-]C(=O)CNC(=O)c1c(O)cc(F)cc1F	ZINC000846494701	615370683	/nfs/dbraw/zinc/37/06/83/615370683.db2.gz	VHRPORGDUFFPGE-UHFFFAOYSA-N	-1	2	274.223	0.468	20	0		CCADLM
COC[C@@H](C[N@@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[nH]1)OC	ZINC000934270326	616851730	/nfs/dbraw/zinc/85/17/30/616851730.db2.gz	QGJRSKAHUQDTQR-GHMZBOCLSA-N	-1	2	297.355	0.989	20	0		CCADLM
CO[C@H]1CN(C(=O)c2cc(C)nc(C)n2)[C@@](C)(C(=O)[O-])C1	ZINC000910266927	617110161	/nfs/dbraw/zinc/11/01/61/617110161.db2.gz	USEGDZWZKIRAEL-QMTHXVAHSA-N	-1	2	293.323	0.798	20	0		CCADLM
C[C@H]1CCN(C(=O)NCc2cn(C)cn2)[C@H](C(=O)[O-])C1	ZINC000900308715	633988027	/nfs/dbraw/zinc/98/80/27/633988027.db2.gz	MRAQWOXKTFIAKS-ONGXEEELSA-N	-1	2	280.328	0.815	20	0		CCADLM
O=C([O-])CC[C@@H]1C[C@H](C(=O)NO[C@H]2CCCCO2)CO1	ZINC000901981541	634296360	/nfs/dbraw/zinc/29/63/60/634296360.db2.gz	DTLUVGHUMJBVEP-UMNHJUIQSA-N	-1	2	287.312	0.831	20	0		CCADLM
O=C(c1cc(F)cc(F)c1O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000824297324	641816215	/nfs/dbraw/zinc/81/62/15/641816215.db2.gz	CDMRPZCYEGHXDD-VHSXEESVSA-N	-1	2	298.289	0.561	20	0		CCADLM
Cc1nc(N)ncc1-c1ccc([P@@](=O)([O-])O)cc1	ZINC001241648022	806978933	/nfs/dbraw/zinc/97/89/33/806978933.db2.gz	DIFIYHDXEFWZAL-UHFFFAOYSA-N	-1	2	265.209	0.837	20	0		CCADLM
Cc1nc(N)ncc1-c1ccc([P@](=O)([O-])O)cc1	ZINC001241648022	806978937	/nfs/dbraw/zinc/97/89/37/806978937.db2.gz	DIFIYHDXEFWZAL-UHFFFAOYSA-N	-1	2	265.209	0.837	20	0		CCADLM
O=C1CC[C@@H](CNc2ccc([P@](=O)([O-])O)cc2)N1	ZINC001164174533	802682804	/nfs/dbraw/zinc/68/28/04/802682804.db2.gz	VAUSZPJEVUVILW-VIFPVBQESA-N	-1	2	270.225	0.180	20	0		CCADLM
O=C1CC[C@@H](CNc2ccc([P@@](=O)([O-])O)cc2)N1	ZINC001164174533	802682806	/nfs/dbraw/zinc/68/28/06/802682806.db2.gz	VAUSZPJEVUVILW-VIFPVBQESA-N	-1	2	270.225	0.180	20	0		CCADLM
CC[NH+]1CC(NC(=O)c2cnc(C3CC3)[nH]c2=O)C1	ZINC001031061064	816615631	/nfs/dbraw/zinc/61/56/31/816615631.db2.gz	QKIAUKYJEZZDPE-UHFFFAOYSA-N	-1	2	262.313	0.494	20	0		CCADLM
Cc1nnc(CNC(=O)C(F)(F)C(F)(F)C(=O)[O-])o1	ZINC001180176955	843111361	/nfs/dbraw/zinc/11/13/61/843111361.db2.gz	TYBFRNKZMAVBRG-UHFFFAOYSA-N	-1	2	285.153	0.349	20	0		CCADLM
O=C(NCc1n[nH]c(=O)[nH]1)c1c(F)ccc(F)c1[O-]	ZINC001192720436	845901922	/nfs/dbraw/zinc/90/19/22/845901922.db2.gz	UGZXCIYXCGAVBC-UHFFFAOYSA-N	-1	2	270.195	0.424	20	0		CCADLM
O=C(N[C@H]1SC(=O)NC1=O)c1cc(F)c([O-])cc1F	ZINC001192879867	845930194	/nfs/dbraw/zinc/93/01/94/845930194.db2.gz	PIJMIRGETMCPNK-VIFPVBQESA-N	-1	2	288.231	0.709	20	0		CCADLM
COc1c[nH+]c(NCCOP(=O)([O-])[O-])cc1C	ZINC001168590035	897709745	/nfs/dbraw/zinc/70/97/45/897709745.db2.gz	SUQHGTZTBVQNOU-UHFFFAOYSA-N	-1	2	262.202	0.920	20	0		CCADLM
O=C([O-])[C@@H]1CC[C@H](C(=O)OCc2n[nH]c(=O)[nH]2)C1	ZINC001595277933	949943121	/nfs/dbraw/zinc/94/31/21/949943121.db2.gz	TWBRPAAPWCVNKY-RITPCOANSA-N	-1	2	255.230	0.054	20	0		CCADLM
C[C@@H](NC(=O)C1(C(=O)[O-])CCOCC1)c1nn(C)cc1O	ZINC001603216049	972329606	/nfs/dbraw/zinc/32/96/06/972329606.db2.gz	NEQUEKSKSJDKHD-MRVPVSSYSA-N	-1	2	297.311	0.184	20	0		CCADLM
C[C@@H](NC(=O)C1(CC(=O)[O-])CCC1)C1=NN(C)CC1=O	ZINC001603219071	972336970	/nfs/dbraw/zinc/33/69/70/972336970.db2.gz	QLDQDENOHWJBDZ-MRVPVSSYSA-N	-1	2	281.312	0.948	20	0		CCADLM
C[C@@H](NC(=O)C1(CC(=O)[O-])CCC1)c1nn(C)cc1O	ZINC001603219071	972336975	/nfs/dbraw/zinc/33/69/75/972336975.db2.gz	QLDQDENOHWJBDZ-MRVPVSSYSA-N	-1	2	281.312	0.948	20	0		CCADLM
CC(=O)N[C@@H]1C(C)=NN(c2cccc(C(=O)[O-])c2)C1=O	ZINC001589117804	985372960	/nfs/dbraw/zinc/37/29/60/985372960.db2.gz	GWXDOTPQARSVPU-LLVKDONJSA-N	-1	2	275.264	0.612	20	0		CCADLM
CC(=O)N[C@H]1C(C)=NN(c2cccc(C(=O)[O-])c2)C1=O	ZINC001589117805	985373360	/nfs/dbraw/zinc/37/33/60/985373360.db2.gz	GWXDOTPQARSVPU-NSHDSACASA-N	-1	2	275.264	0.612	20	0		CCADLM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)C(F)C(F)(F)F	ZINC001598693150	995095382	/nfs/dbraw/zinc/09/53/82/995095382.db2.gz	GVMIJDRQVXZQJJ-WUJLRWPWSA-N	-1	2	275.154	0.019	20	0		CCADLM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](F)C(F)(F)F	ZINC001598693150	995095388	/nfs/dbraw/zinc/09/53/88/995095388.db2.gz	GVMIJDRQVXZQJJ-WUJLRWPWSA-N	-1	2	275.154	0.019	20	0		CCADLM
COCC[C@H](NC(=O)C(F)C(F)(F)F)C(=O)[O-]	ZINC001599213712	997546453	/nfs/dbraw/zinc/54/64/53/997546453.db2.gz	QWKXVYCFOSALOB-WHFBIAKZSA-N	-1	2	261.171	0.493	20	0		CCADLM
COCC[C@H](NC(=O)[C@H](F)C(F)(F)F)C(=O)[O-]	ZINC001599213712	997546460	/nfs/dbraw/zinc/54/64/60/997546460.db2.gz	QWKXVYCFOSALOB-WHFBIAKZSA-N	-1	2	261.171	0.493	20	0		CCADLM
Cn1nccc1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000169244231	350837085	/nfs/dbraw/zinc/83/70/85/350837085.db2.gz	UOOICHVRLDZTAQ-UHFFFAOYSA-N	-1	2	295.320	0.848	20	0		CCADLM
CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1n[nH]c(SCCO)n1	ZINC000155374419	188201950	/nfs/dbraw/zinc/20/19/50/188201950.db2.gz	IOJJSSHEKJFKMI-SECBINFHSA-N	-1	2	299.400	0.702	20	0		CCADLM
CC[N@H+]1CCCC[C@@H]1C(=O)Nc1n[nH]c(SCCO)n1	ZINC000155374419	188201952	/nfs/dbraw/zinc/20/19/52/188201952.db2.gz	IOJJSSHEKJFKMI-SECBINFHSA-N	-1	2	299.400	0.702	20	0		CCADLM
CCO[N-]C(=O)CN(CC(=O)NOCC)c1ccccc1	ZINC000290947684	353760112	/nfs/dbraw/zinc/76/01/12/353760112.db2.gz	LOOJAXWXAXICSS-UHFFFAOYSA-N	-1	2	295.339	0.628	20	0		CCADLM
C[C@@H]1C[N@H+](Cc2ncccc2O)[C@@H](C)CN1CCO	ZINC000557201064	291026150	/nfs/dbraw/zinc/02/61/50/291026150.db2.gz	LYCFGHRCSCWBPZ-NEPJUHHUSA-N	-1	2	265.357	0.674	20	0		CCADLM
CC[C@@H](C)[C@@H](NS(=O)(=O)CC(F)(F)F)C(=O)[O-]	ZINC000567800241	358587575	/nfs/dbraw/zinc/58/75/75/358587575.db2.gz	BKRVGOBGENACFS-PHDIDXHHSA-N	-1	2	277.264	0.967	20	0		CCADLM
COCC[C@@]1([NH2+]Cc2cc(=O)n3[nH]ccc3n2)CCOC1	ZINC000568835215	358708334	/nfs/dbraw/zinc/70/83/34/358708334.db2.gz	QFNCNPWAPYZQCE-CQSZACIVSA-N	-1	2	292.339	0.308	20	0		CCADLM
O=C(C[N@@H+](C1CC1)C1CCCC1)Nc1nn[nH]n1	ZINC000573423597	358965011	/nfs/dbraw/zinc/96/50/11/358965011.db2.gz	NOWFGCHVKQJFLA-UHFFFAOYSA-N	-1	2	250.306	0.545	20	0		CCADLM
Cn1ncc(NS(=O)(=O)c2ccsc2)c1C(=O)[O-]	ZINC000575110806	335023316	/nfs/dbraw/zinc/02/33/16/335023316.db2.gz	OUHIBXVUHASDDO-UHFFFAOYSA-N	-1	2	287.322	0.981	20	0		CCADLM
CC[N@@H+]1CCCN(Cc2cc(=O)n3[nH]ccc3n2)CC1	ZINC000158184624	389337184	/nfs/dbraw/zinc/33/71/84/389337184.db2.gz	SPNHAJBHIRRMSM-UHFFFAOYSA-N	-1	2	275.356	0.550	20	0		CCADLM
COCCOCCNC(=O)c1cccc2[nH]nnc21	ZINC000182742538	389715818	/nfs/dbraw/zinc/71/58/18/389715818.db2.gz	CMOOMMGEDBORHH-UHFFFAOYSA-N	-1	2	264.285	0.351	20	0		CCADLM
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc2[nH]nnc21	ZINC000182748480	389715969	/nfs/dbraw/zinc/71/59/69/389715969.db2.gz	ZGMXQSUOOZWXSV-DTWKUNHWSA-N	-1	2	289.339	0.991	20	0		CCADLM
O=C(Cn1cc[nH+]c1)Nc1ccc(Cc2nn[nH]n2)cc1	ZINC000566043093	390570056	/nfs/dbraw/zinc/57/00/56/390570056.db2.gz	KQZSVDVUIJKSGQ-UHFFFAOYSA-N	-1	2	283.295	0.626	20	0		CCADLM
Cn1cc(S(=O)(=O)Nc2nncs2)cc1C(=O)[O-]	ZINC000020213628	171076678	/nfs/dbraw/zinc/07/66/78/171076678.db2.gz	MGECSUXAUJYMLW-UHFFFAOYSA-N	-1	2	288.310	0.376	20	0		CCADLM
CCn1cc(S(=O)(=O)Nc2ccn(C)n2)cc1C(=O)[O-]	ZINC000037560139	173270557	/nfs/dbraw/zinc/27/05/57/173270557.db2.gz	ZPOJXPKLKVWYSQ-UHFFFAOYSA-N	-1	2	298.324	0.741	20	0		CCADLM
CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1n[nH]c(=O)o1	ZINC000660846296	414503694	/nfs/dbraw/zinc/50/36/94/414503694.db2.gz	YIIJXURALJNQNA-AOOOYVTPSA-N	-1	2	268.317	0.070	20	0		CCADLM
O=C(NCc1nn[nH]n1)c1nn(-c2ccccc2)cc1[O-]	ZINC000680878346	545437047	/nfs/dbraw/zinc/43/70/47/545437047.db2.gz	FKAQWDOFUKUYHC-UHFFFAOYSA-N	-1	2	285.267	0.021	20	0		CCADLM
O=C([O-])NCCCC(=O)Nc1nc(-c2ccccn2)n[nH]1	ZINC000739967083	581266552	/nfs/dbraw/zinc/26/65/52/581266552.db2.gz	RMTHOHUQHLRYBK-UHFFFAOYSA-N	-1	2	290.283	0.853	20	0		CCADLM
C[C@@H]1C[N@@H+](CCNc2cccc(-c3nn[nH]n3)n2)CCO1	ZINC000736286810	581729755	/nfs/dbraw/zinc/72/97/55/581729755.db2.gz	NSQJIRXWTIDNKX-SNVBAGLBSA-N	-1	2	289.343	0.394	20	0		CCADLM
Cc1ccc2c(n1)[nH]cc(C(=O)NCCC(=O)[O-])c2=O	ZINC000818929874	597209766	/nfs/dbraw/zinc/20/97/66/597209766.db2.gz	YSYLKJOBXCHJRS-UHFFFAOYSA-N	-1	2	275.264	0.848	20	0		CCADLM
O=C([O-])c1cccc(NC(=O)NCc2n[nH]c(=O)[nH]2)c1	ZINC000392386163	602309348	/nfs/dbraw/zinc/30/93/48/602309348.db2.gz	MSRULKHDHMCXGM-UHFFFAOYSA-N	-1	2	277.240	0.530	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N2CCC[C@H](NC(=O)[O-])C2)n1	ZINC000830677797	603689093	/nfs/dbraw/zinc/68/90/93/603689093.db2.gz	JTXYGMBEQPBTIA-QMMMGPOBSA-N	-1	2	299.356	0.464	20	0		CCADLM
O=C([O-])N[C@H]1CCC[C@H](C(=O)OCc2n[nH]c(=O)[nH]2)C1	ZINC000834170870	605955417	/nfs/dbraw/zinc/95/54/17/605955417.db2.gz	WDDOSTDHMRIYIM-BQBZGAKWSA-N	-1	2	284.272	0.380	20	0		CCADLM
O=C([O-])NCc1ccc(C(=O)OCc2n[nH]c(=O)[nH]2)o1	ZINC000834247813	605955450	/nfs/dbraw/zinc/95/54/50/605955450.db2.gz	RLZKHSHARBRLPP-UHFFFAOYSA-N	-1	2	282.212	0.228	20	0		CCADLM
CC[C@@](C)(CNC(=O)[O-])C(=O)NCCCc1n[nH]c(=O)[nH]1	ZINC000833841383	615588944	/nfs/dbraw/zinc/58/89/44/615588944.db2.gz	PQRQHFFPEFFUBS-LBPRGKRZSA-N	-1	2	299.331	0.243	20	0		CCADLM
O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1cc(=O)[nH]cn1	ZINC000898503248	633614676	/nfs/dbraw/zinc/61/46/76/633614676.db2.gz	ILXSUQKCEKNTEC-SECBINFHSA-N	-1	2	268.292	0.346	20	0		CCADLM
C[C@@H]1C(=O)N([N-]C(=O)c2c(O)cc(F)cc2F)C(=O)N1C	ZINC000899031165	633715472	/nfs/dbraw/zinc/71/54/72/633715472.db2.gz	JZNLPCLTDGSJAU-RXMQYKEDSA-N	-1	2	299.233	0.598	20	0		CCADLM
Cn1cnc(CNC(=O)N2CCSC[C@H]2C(=O)[O-])c1	ZINC000900307454	633987555	/nfs/dbraw/zinc/98/75/55/633987555.db2.gz	ZQOVNGUEGNJUPW-VIFPVBQESA-N	-1	2	284.341	0.132	20	0		CCADLM
CC(=O)N1CC(Oc2ccc(O[P@@](=O)([O-])O)cc2)C1	ZINC001234333851	806224300	/nfs/dbraw/zinc/22/43/00/806224300.db2.gz	ZVYXQKXHISFBFD-UHFFFAOYSA-N	-1	2	287.208	0.768	20	0		CCADLM
CC(=O)N1CC(Oc2ccc(O[P@](=O)([O-])O)cc2)C1	ZINC001234333851	806224307	/nfs/dbraw/zinc/22/43/07/806224307.db2.gz	ZVYXQKXHISFBFD-UHFFFAOYSA-N	-1	2	287.208	0.768	20	0		CCADLM
Nc1cc(F)c(F)cc1C(=O)N1CC[C@H](c2nnn[n-]2)C1	ZINC001153001045	800580290	/nfs/dbraw/zinc/58/02/90/800580290.db2.gz	IOCANTUSPXTSOW-LURJTMIESA-N	-1	2	294.265	0.690	20	0		CCADLM
Nc1cc(F)c(F)cc1C(=O)N1CC[C@H](c2nn[n-]n2)C1	ZINC001153001045	800580293	/nfs/dbraw/zinc/58/02/93/800580293.db2.gz	IOCANTUSPXTSOW-LURJTMIESA-N	-1	2	294.265	0.690	20	0		CCADLM
O=C(NCCCc1cc(=O)[nH][nH]1)[C@@H]1CCn2c[nH+]cc2C1	ZINC001261741920	809071954	/nfs/dbraw/zinc/07/19/54/809071954.db2.gz	GIFPWAOHBULUEM-SNVBAGLBSA-N	-1	2	289.339	0.218	20	0		CCADLM
C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2O)C1	ZINC001032921375	818361963	/nfs/dbraw/zinc/36/19/63/818361963.db2.gz	PLVWKJHSFVPRIV-MNOVXSKESA-N	-1	2	291.351	0.412	20	0		CCADLM
CC(C)(C)OC(=O)c1cc(C(=O)Nc2nn[nH]n2)n[n-]1	ZINC001417650858	921494848	/nfs/dbraw/zinc/49/48/48/921494848.db2.gz	XHEOSPJEGZSMNE-UHFFFAOYSA-N	-1	2	279.260	0.130	20	0		CCADLM
CC(C)(C)OC(=O)c1cc(C(=O)Nc2nn[nH]n2)[n-]n1	ZINC001417650858	921494860	/nfs/dbraw/zinc/49/48/60/921494860.db2.gz	XHEOSPJEGZSMNE-UHFFFAOYSA-N	-1	2	279.260	0.130	20	0		CCADLM
O=C([O-])CCCCC(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC001329169591	915723422	/nfs/dbraw/zinc/72/34/22/915723422.db2.gz	RITOUSICKRBNRE-SECBINFHSA-N	-1	2	296.327	0.861	20	0		CCADLM
C=Cn1cc(C[NH2+]Cc2nnc(C(=O)OCC)[n-]2)cn1	ZINC001363676735	929476453	/nfs/dbraw/zinc/47/64/53/929476453.db2.gz	RFFAZNCFBPXIAD-UHFFFAOYSA-N	-1	2	276.300	0.568	20	0		CCADLM
CC[C@@H](CS(=O)(=O)Nc1ccn(CC(=O)[O-])n1)OC	ZINC001589557957	948798775	/nfs/dbraw/zinc/79/87/75/948798775.db2.gz	MWARQDFOZUUASM-QMMMGPOBSA-N	-1	2	291.329	0.134	20	0		CCADLM
O=C([O-])C1(C(=O)NCCc2n[nH]c(=S)o2)CCC1	ZINC001594864017	954307435	/nfs/dbraw/zinc/30/74/35/954307435.db2.gz	UNGGMVHEYYIZOI-UHFFFAOYSA-N	-1	2	271.298	0.272	20	0		CCADLM
C[C@H](CNC(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1)C(=O)[O-]	ZINC001589049372	955641904	/nfs/dbraw/zinc/64/19/04/955641904.db2.gz	NDXQRIOXYNMIRF-SFYZADRCSA-N	-1	2	297.315	0.120	20	0		CCADLM
N=C1NC(=O)[C@@H](CC(=O)N2CCCC[C@H]2CC(=O)[O-])S1	ZINC001594654618	956496736	/nfs/dbraw/zinc/49/67/36/956496736.db2.gz	UCFAUNVMFHUUNB-JGVFFNPUSA-N	-1	2	299.352	0.399	20	0		CCADLM
Cc1n[nH]c(C)c1NS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000036736444	957233477	/nfs/dbraw/zinc/23/34/77/957233477.db2.gz	QXTPQTNUJQWDMJ-UHFFFAOYSA-N	-1	2	299.312	0.108	20	0		CCADLM
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC001574756670	957730996	/nfs/dbraw/zinc/73/09/96/957730996.db2.gz	CPBNBPQWERIIGC-HRDYMLBCSA-N	-1	2	294.311	0.327	20	0		CCADLM
CCCC[C@H](NC(=O)C[C@@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC001595635501	981904356	/nfs/dbraw/zinc/90/43/56/981904356.db2.gz	XJPXLGCKPAFNAS-BQBZGAKWSA-N	-1	2	287.341	0.302	20	0		CCADLM
Cc1[nH]c(C(=O)NCc2n[nH]c(=O)[nH]2)c(C)c1C(=O)[O-]	ZINC001599952523	985633242	/nfs/dbraw/zinc/63/32/42/985633242.db2.gz	QOUYUQANSHOHTH-UHFFFAOYSA-N	-1	2	279.256	0.083	20	0		CCADLM
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C[C@@H]1SC(=N)NC1=O	ZINC001599877829	989441579	/nfs/dbraw/zinc/44/15/79/989441579.db2.gz	ZMZSMZCCHUNBGB-PRJMDXOYSA-N	-1	2	299.352	0.255	20	0		CCADLM
C[C@@H](NC(=O)c1cc(C(=O)[O-])ccn1)c1nn(C)cc1O	ZINC001593151043	993961423	/nfs/dbraw/zinc/96/14/23/993961423.db2.gz	ZYIBXGOIMFXDAQ-SSDOTTSWSA-N	-1	2	290.279	0.710	20	0		CCADLM
C[C@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)c1nn(C)cc1O	ZINC001593157044	993982229	/nfs/dbraw/zinc/98/22/29/993982229.db2.gz	UBMZXZSFAVYMNI-LURJTMIESA-N	-1	2	278.268	0.643	20	0		CCADLM
COCC[C@H](NC(=O)c1cc(F)c(O)c(F)c1)C(=O)[O-]	ZINC001599216343	997589401	/nfs/dbraw/zinc/58/94/01/997589401.db2.gz	PMTFVZYJJQDNCN-VIFPVBQESA-N	-1	2	289.234	0.890	20	0		CCADLM
Cn1ncc2c1[nH]cc(C(=O)N1C[C@H](O)C(C)(C)C1)c2=O	ZINC000344784674	137213421	/nfs/dbraw/zinc/21/34/21/137213421.db2.gz	LHOMJKLTBHWDLG-JTQLQIEISA-N	-1	2	290.323	0.517	20	0		CCADLM
COc1ccc(NC(=O)NCc2n[n-]c(=N)o2)cn1	ZINC000346639135	137296676	/nfs/dbraw/zinc/29/66/76/137296676.db2.gz	HUKXKEUVVMEKDG-UHFFFAOYSA-N	-1	2	264.245	0.207	20	0		CCADLM
COc1ccc(=NC(=O)N(C)CC[C@H](C)O)[n-]n1	ZINC000346677775	137298891	/nfs/dbraw/zinc/29/88/91/137298891.db2.gz	VVQYDOHUCYRMOV-QMMMGPOBSA-N	-1	2	254.290	0.142	20	0		CCADLM
C[C@H](C(=O)[O-])C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1	ZINC000229336987	352090459	/nfs/dbraw/zinc/09/04/59/352090459.db2.gz	BZHGMBLPCMOZDI-LURJTMIESA-N	-1	2	295.320	0.664	20	0		CCADLM
COCC[N@@H+]1CC[C@H](NC(=O)N=c2cc(C)c(C)n[nH]2)C1	ZINC000532324487	358505815	/nfs/dbraw/zinc/50/58/15/358505815.db2.gz	ZLKSEUCOJNRAOY-LBPRGKRZSA-N	-1	2	293.371	0.358	20	0		CCADLM
COCCN(CC(=O)[O-])C(=O)CCc1cncc(F)c1	ZINC000190689262	388997822	/nfs/dbraw/zinc/99/78/22/388997822.db2.gz	AICKLEUFBHVQSU-UHFFFAOYSA-N	-1	2	284.287	0.713	20	0		CCADLM
Cc1cc(=NC(=O)N(C)C[C@@H](C)C(=O)[O-])[nH]nc1C	ZINC000417761026	389848948	/nfs/dbraw/zinc/84/89/48/389848948.db2.gz	YMLYPALDOCOLNF-MRVPVSSYSA-N	-1	2	266.301	0.700	20	0		CCADLM
CC1(C)C[N@@H+](CCN=c2[nH]c(C(N)=O)cs2)CCO1	ZINC000432319935	389877038	/nfs/dbraw/zinc/87/70/38/389877038.db2.gz	KFJOUBSHAKCXPR-UHFFFAOYSA-N	-1	2	284.385	0.187	20	0		CCADLM
CCNc1nc(C(=O)NCc2c[nH+]c[nH]2)cs1	ZINC000494576903	390183592	/nfs/dbraw/zinc/18/35/92/390183592.db2.gz	YAJWNSMAFFYKMB-UHFFFAOYSA-N	-1	2	251.315	0.650	20	0		CCADLM
O=C([O-])c1ccc[nH+]c1N1CCO[C@@H](C(=O)[O-])C1	ZINC000647448019	390817920	/nfs/dbraw/zinc/81/79/20/390817920.db2.gz	NJCNBQATADMYBO-MRVPVSSYSA-N	-1	2	252.226	0.070	20	0		CCADLM
C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC000548535010	286046506	/nfs/dbraw/zinc/04/65/06/286046506.db2.gz	KILIACWMVABVLU-QWWZWVQMSA-N	-1	2	299.217	0.965	20	0		CCADLM
O=C([O-])c1cccc(S(=O)(=O)Nc2cnccn2)c1	ZINC000035159992	172018062	/nfs/dbraw/zinc/01/80/62/172018062.db2.gz	NVBJXYJUQGCSDN-UHFFFAOYSA-N	-1	2	279.277	0.976	20	0		CCADLM
C[C@H](CNc1cc(NC[C@H](C)C(=O)[O-])nc[nH+]1)C(=O)[O-]	ZINC000662883224	414866465	/nfs/dbraw/zinc/86/64/65/414866465.db2.gz	MSQKWZWBDBAFAL-OCAPTIKFSA-N	-1	2	282.300	0.742	20	0		CCADLM
C[C@H](CNc1cc(NC[C@H](C)C(=O)[O-])[nH+]cn1)C(=O)[O-]	ZINC000662883224	414866471	/nfs/dbraw/zinc/86/64/71/414866471.db2.gz	MSQKWZWBDBAFAL-OCAPTIKFSA-N	-1	2	282.300	0.742	20	0		CCADLM
O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1	ZINC000739553372	581570486	/nfs/dbraw/zinc/57/04/86/581570486.db2.gz	OYDWLGNGZZPKTR-DTWKUNHWSA-N	-1	2	289.247	0.689	20	0		CCADLM
N=C1NC(=O)[C@@H](CC(=O)N(CC(=O)[O-])C2CCCC2)S1	ZINC000833089708	601873436	/nfs/dbraw/zinc/87/34/36/601873436.db2.gz	VDLYAZFDPFYHRK-MRVPVSSYSA-N	-1	2	299.352	0.399	20	0		CCADLM
COC(=O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1	ZINC000095314813	598405271	/nfs/dbraw/zinc/40/52/71/598405271.db2.gz	NEIXPNQXAYFLSM-UHFFFAOYSA-N	-1	2	261.285	0.472	20	0		CCADLM
Cc1nn(C)c(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1C	ZINC000833014719	600979046	/nfs/dbraw/zinc/97/90/46/600979046.db2.gz	WCODPNQZVBTGCG-UHFFFAOYSA-N	-1	2	298.324	0.864	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)n1	ZINC000830680113	603799632	/nfs/dbraw/zinc/79/96/32/603799632.db2.gz	ZTIGKGSLUQXQEV-MRVPVSSYSA-N	-1	2	299.356	0.464	20	0		CCADLM
O=C([O-])Nc1ccc(C(=O)NCc2n[nH]c(=O)[nH]2)c(O)c1	ZINC000832832987	603953993	/nfs/dbraw/zinc/95/39/93/603953993.db2.gz	FNUIBWGJBFUUEV-UHFFFAOYSA-N	-1	2	293.239	0.236	20	0		CCADLM
O=C([O-])N[C@@H](C(=O)NCc1n[nH]c(=O)[nH]1)c1ccccc1	ZINC000832751725	604058942	/nfs/dbraw/zinc/05/89/42/604058942.db2.gz	GFMRUNZKDGOAGB-SECBINFHSA-N	-1	2	291.267	0.135	20	0		CCADLM
O=C(CN(C(=O)[O-])c1ccccc1)NCc1n[nH]c(=O)[nH]1	ZINC000831450960	605383664	/nfs/dbraw/zinc/38/36/64/605383664.db2.gz	LQNKNFYOBHZLSR-UHFFFAOYSA-N	-1	2	291.267	0.311	20	0		CCADLM
O=C([O-])Nc1ccccc1CC(=O)OCc1n[nH]c(=O)[nH]1	ZINC000834274298	605956514	/nfs/dbraw/zinc/95/65/14/605956514.db2.gz	HQUHBIXDMKNPMF-UHFFFAOYSA-N	-1	2	292.251	0.886	20	0		CCADLM
CC(C)C[C@H](NC(=O)[O-])C(=O)OCc1n[nH]c(=O)[nH]1	ZINC000833484987	614220847	/nfs/dbraw/zinc/22/08/47/614220847.db2.gz	VVTCBQFPDOTTKM-LURJTMIESA-N	-1	2	272.261	0.236	20	0		CCADLM
CC(C)[C@@H](C(=O)[O-])C(=O)NOCc1cccnc1	ZINC000911804540	614078574	/nfs/dbraw/zinc/07/85/74/614078574.db2.gz	DNXQZVBPQKFMPP-SNVBAGLBSA-N	-1	2	252.270	0.986	20	0		CCADLM
CCO[N-]C(=O)CNC(=O)c1cc(F)cc(Cl)c1O	ZINC000846493172	615371195	/nfs/dbraw/zinc/37/11/95/615371195.db2.gz	QJYOTYCAKPWNOZ-UHFFFAOYSA-N	-1	2	290.678	0.982	20	0		CCADLM
COCCN(CCC(=O)[O-])c1[nH+]cccc1C(=O)[O-]	ZINC000900978543	616997203	/nfs/dbraw/zinc/99/72/03/616997203.db2.gz	LHJQEUDEJCMHAQ-UHFFFAOYSA-N	-1	2	268.269	0.707	20	0		CCADLM
O=C(NCCCc1n[nH]c(=O)[n-]1)C(F)C(F)(F)F	ZINC000810461954	640936333	/nfs/dbraw/zinc/93/63/33/640936333.db2.gz	JHILFGCHHVZLAE-RXMQYKEDSA-N	-1	2	270.186	0.460	20	0		CCADLM
O=C([O-])C[C@H](O)C(=O)Oc1[nH]c(=O)nc2cccc(F)c21	ZINC001231073737	805722983	/nfs/dbraw/zinc/72/29/83/805722983.db2.gz	ITORLYUZRFTVGH-ZETCQYMHSA-N	-1	2	296.210	0.216	20	0		CCADLM
CN1CC[C@H](Nc2ccc([P@@](=O)([O-])O)cc2)C1=O	ZINC001166694459	802941018	/nfs/dbraw/zinc/94/10/18/802941018.db2.gz	OWPDONWGYBDDQO-JTQLQIEISA-N	-1	2	270.225	0.132	20	0		CCADLM
CN1CC[C@H](Nc2ccc([P@](=O)([O-])O)cc2)C1=O	ZINC001166694459	802941022	/nfs/dbraw/zinc/94/10/22/802941022.db2.gz	OWPDONWGYBDDQO-JTQLQIEISA-N	-1	2	270.225	0.132	20	0		CCADLM
CC[C@H](C)[C@H](Nc1ccc([P@@](=O)([O-])O)cc1)C(N)=O	ZINC001169156847	836154933	/nfs/dbraw/zinc/15/49/33/836154933.db2.gz	GGKQUMQCRQOZBT-KWQFWETISA-N	-1	2	286.268	0.802	20	0		CCADLM
CC[C@H](C)[C@H](Nc1ccc([P@](=O)([O-])O)cc1)C(N)=O	ZINC001169156847	836154936	/nfs/dbraw/zinc/15/49/36/836154936.db2.gz	GGKQUMQCRQOZBT-KWQFWETISA-N	-1	2	286.268	0.802	20	0		CCADLM
C[N@H+]1CCN(C(=O)c2cc(O)ccc2Cl)C[C@H]1CO	ZINC000687595101	849122972	/nfs/dbraw/zinc/12/29/72/849122972.db2.gz	GLLFEXLNCIWEQD-VIFPVBQESA-N	-1	2	284.743	0.794	20	0		CCADLM
COC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1ncccc1O	ZINC001038184999	849812038	/nfs/dbraw/zinc/81/20/38/849812038.db2.gz	UPHQMCXTRZNZHD-MNOVXSKESA-N	-1	2	279.340	0.626	20	0		CCADLM
COC[C@H](NC(=O)c1c(O)cccc1Cl)c1nn[n-]n1	ZINC001419551917	922911074	/nfs/dbraw/zinc/91/10/74/922911074.db2.gz	IYARUTAMLMQIEB-ZETCQYMHSA-N	-1	2	297.702	0.676	20	0		CCADLM
CSc1ncc(C(=O)N[C@@H](C)c2nnc[nH]2)c(=O)[nH]1	ZINC001362263493	927796216	/nfs/dbraw/zinc/79/62/16/927796216.db2.gz	ANHQVVSMRMTFAU-YFKPBYRVSA-N	-1	2	280.313	0.513	20	0		CCADLM
Cc1cc([C@H]2CCCCN2C(=O)CCc2nn[nH]n2)[nH]n1	ZINC001363731988	929529976	/nfs/dbraw/zinc/52/99/76/929529976.db2.gz	ZAHPZOYYLOXABN-LLVKDONJSA-N	-1	2	289.343	0.918	20	0		CCADLM
Cc1cc([C@H]2CCCCN2C(=O)CCc2nn[nH]n2)n[nH]1	ZINC001363731988	929529983	/nfs/dbraw/zinc/52/99/83/929529983.db2.gz	ZAHPZOYYLOXABN-LLVKDONJSA-N	-1	2	289.343	0.918	20	0		CCADLM
C[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)c1nn(C)cc1O	ZINC001573625134	959535571	/nfs/dbraw/zinc/53/55/71/959535571.db2.gz	OEWVZLZCRHBVTI-LURJTMIESA-N	-1	2	291.267	0.105	20	0		CCADLM
O=C([O-])c1sccc1C(=O)NCc1n[nH]c(=O)[nH]1	ZINC001570988956	963131085	/nfs/dbraw/zinc/13/10/85/963131085.db2.gz	ABMUNVPPYUXMBT-UHFFFAOYSA-N	-1	2	268.254	0.200	20	0		CCADLM
O=C([O-])CC1(C(=O)OCCc2cnn[nH]2)CCOCC1	ZINC001606074881	973232666	/nfs/dbraw/zinc/23/26/66/973232666.db2.gz	PBJQKOSVTZREBY-UHFFFAOYSA-N	-1	2	283.284	0.162	20	0		CCADLM
COC(=O)c1ccc(=N[C@@H]2CCC[C@H]2CC(=O)[O-])[nH]n1	ZINC000405361792	973848690	/nfs/dbraw/zinc/84/86/90/973848690.db2.gz	CUINCIZLXRQZSY-DTWKUNHWSA-N	-1	2	279.296	0.740	20	0		CCADLM
CCO[N-]C(=O)CNc1cc(CC(=O)[O-])cc[nH+]1	ZINC001596968892	986187372	/nfs/dbraw/zinc/18/73/72/986187372.db2.gz	SAGLDSMSIYODAJ-UHFFFAOYSA-N	-1	2	253.258	0.188	20	0		CCADLM
C[C@@H](C(=O)NOCCCC(=O)[O-])c1ccnn1C	ZINC001589423650	986681468	/nfs/dbraw/zinc/68/14/68/986681468.db2.gz	OSESYAVLDACRJC-MRVPVSSYSA-N	-1	2	255.274	0.436	20	0		CCADLM
COC(=O)C[C@H](NC(=O)C(F)C(F)(F)F)C(=O)[O-]	ZINC001598838414	996504984	/nfs/dbraw/zinc/50/49/84/996504984.db2.gz	RYBLKUCEUATXIT-UCORVYFPSA-N	-1	2	275.154	0.019	20	0		CCADLM
COC(=O)C[C@H](NC(=O)[C@H](F)C(F)(F)F)C(=O)[O-]	ZINC001598838414	996504988	/nfs/dbraw/zinc/50/49/88/996504988.db2.gz	RYBLKUCEUATXIT-UCORVYFPSA-N	-1	2	275.154	0.019	20	0		CCADLM
C[C@@H](OCc1ccccc1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000346643269	137296528	/nfs/dbraw/zinc/29/65/28/137296528.db2.gz	CJPCVQFVXBSMQY-SECBINFHSA-N	-1	2	276.296	0.732	20	0		CCADLM
CC[C@@H](C)CONC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000293642486	353826641	/nfs/dbraw/zinc/82/66/41/353826641.db2.gz	GHFZXIPZXWBMFA-ZCFIWIBFSA-N	-1	2	260.319	0.284	20	0		CCADLM
O=C(N[C@H](CO)CC(F)F)c1cccc2[nH]nnc21	ZINC000574350592	335012850	/nfs/dbraw/zinc/01/28/50/335012850.db2.gz	GPQLNOZODUYADS-LURJTMIESA-N	-1	2	270.239	0.704	20	0		CCADLM
COCc1nc(=NC(=O)c2c(O)cccc2O)s[n-]1	ZINC000442667624	389855260	/nfs/dbraw/zinc/85/52/60/389855260.db2.gz	YUTREIOPKHYFFS-UHFFFAOYSA-N	-1	2	281.293	0.770	20	0		CCADLM
Cc1nc(=NC(=O)N2CCC(C)(C(=O)[O-])CC2)[nH]n1C	ZINC000647703124	390141003	/nfs/dbraw/zinc/14/10/03/390141003.db2.gz	PYSPMAFDEWBODD-UHFFFAOYSA-N	-1	2	281.316	0.264	20	0		CCADLM
CC[C@@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-]	ZINC000381249417	327183689	/nfs/dbraw/zinc/18/36/89/327183689.db2.gz	OYPYOIHVUOLHNX-CRCLSJGQSA-N	-1	2	263.237	0.720	20	0		CCADLM
Cc1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1O	ZINC000676700028	545349023	/nfs/dbraw/zinc/34/90/23/545349023.db2.gz	ZVVLGJOYHKNUOZ-WPRPVWTQSA-N	-1	2	266.345	0.836	20	0		CCADLM
Cc1cc(NS(=O)(=O)c2cnnn2C)ccc1C(=O)[O-]	ZINC000682832830	545491065	/nfs/dbraw/zinc/49/10/65/545491065.db2.gz	KZNBQGVJUFIWCM-UHFFFAOYSA-N	-1	2	296.308	0.623	20	0		CCADLM
COC[C@H](CNC(=O)C(F)(F)F)[N-]C(=O)C(F)(F)F	ZINC000783729525	581357364	/nfs/dbraw/zinc/35/73/64/581357364.db2.gz	OFMJUYUNQVVAQR-BYPYZUCNSA-N	-1	2	296.167	0.358	20	0		CCADLM
Cc1cccc(NCCNc2nccnc2-c2nn[nH]n2)[nH+]1	ZINC000737398998	581952971	/nfs/dbraw/zinc/95/29/71/581952971.db2.gz	HAOQFCILTVEVIL-UHFFFAOYSA-N	-1	2	297.326	0.884	20	0		CCADLM
O=C([O-])NCCC(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1	ZINC000738658392	582069348	/nfs/dbraw/zinc/06/93/48/582069348.db2.gz	ZFZUCNAOCMJETM-UHFFFAOYSA-N	-1	2	292.251	0.626	20	0		CCADLM
Cn1nccc1NS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000112332961	600975947	/nfs/dbraw/zinc/97/59/47/600975947.db2.gz	XJPRVFACVGAFPM-UHFFFAOYSA-N	-1	2	287.322	0.981	20	0		CCADLM
C[C@H]1OCC[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)[C@H]1C	ZINC000825019121	607514503	/nfs/dbraw/zinc/51/45/03/607514503.db2.gz	CDSQTCXCPHHVAO-VHSXEESVSA-N	-1	2	274.328	0.871	20	0		CCADLM
O=C(CC1CCN(C(=O)[O-])CC1)OCc1n[nH]c(=O)[nH]1	ZINC000833987966	605954849	/nfs/dbraw/zinc/95/48/49/605954849.db2.gz	MPRMWFHCGORONF-UHFFFAOYSA-N	-1	2	284.272	0.334	20	0		CCADLM
C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)c2ccccc2O)C1	ZINC001006768921	631078676	/nfs/dbraw/zinc/07/86/76/631078676.db2.gz	YRKHFLAXJXOOTC-QWRGUYRKSA-N	-1	2	291.351	0.460	20	0		CCADLM
O=C1CCCCN1CCNc1ccc([P@](=O)([O-])O)cc1	ZINC001161942776	802252661	/nfs/dbraw/zinc/25/26/61/802252661.db2.gz	MJQVFTANDJNLKY-UHFFFAOYSA-N	-1	2	298.279	0.914	20	0		CCADLM
O=C1CCCCN1CCNc1ccc([P@@](=O)([O-])O)cc1	ZINC001161942776	802252667	/nfs/dbraw/zinc/25/26/67/802252667.db2.gz	MJQVFTANDJNLKY-UHFFFAOYSA-N	-1	2	298.279	0.914	20	0		CCADLM
Nc1ccccc1S(=O)(=O)Nc1cnn(CC(=O)[O-])c1	ZINC001176270511	842351476	/nfs/dbraw/zinc/35/14/76/842351476.db2.gz	AKZVYZSSIQBYKY-UHFFFAOYSA-N	-1	2	296.308	0.351	20	0		CCADLM
O=C([N-][C@H]1SC(=O)NC1=O)C(F)(F)C(F)(F)Cl	ZINC001179779665	843044481	/nfs/dbraw/zinc/04/44/81/843044481.db2.gz	HJTMOVOPFFMBTR-REOHCLBHSA-N	-1	2	294.613	0.879	20	0		CCADLM
Cc1ccc(O)c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)n1	ZINC001274067578	848337226	/nfs/dbraw/zinc/33/72/26/848337226.db2.gz	MCVURSUNXCCXKG-PHIMTYICSA-N	-1	2	277.324	0.251	20	0		CCADLM
Cc1cc(C)nc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1	ZINC000020213620	957129979	/nfs/dbraw/zinc/12/99/79/957129979.db2.gz	SKVVWGGKZIBRQF-UHFFFAOYSA-N	-1	2	296.308	0.921	20	0		CCADLM
O=C([O-])c1ncsc1S(=O)(=O)Nc1ncccn1	ZINC000134667924	958845536	/nfs/dbraw/zinc/84/55/36/958845536.db2.gz	GUSGUTIGYLFZAE-UHFFFAOYSA-N	-1	2	286.294	0.432	20	0		CCADLM
C[C@@H](NC(=O)CCCC(=O)[O-])C1=NN(C)CC1=O	ZINC001573611025	959479237	/nfs/dbraw/zinc/47/92/37/959479237.db2.gz	GDTCSGWENQDJPR-SSDOTTSWSA-N	-1	2	255.274	0.558	20	0		CCADLM
C[C@@H](NC(=O)CCCC(=O)[O-])c1nn(C)cc1O	ZINC001573611025	959479252	/nfs/dbraw/zinc/47/92/52/959479252.db2.gz	GDTCSGWENQDJPR-SSDOTTSWSA-N	-1	2	255.274	0.558	20	0		CCADLM
C[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)c1nn(C)cc1O	ZINC001573625136	959535967	/nfs/dbraw/zinc/53/59/67/959535967.db2.gz	OEWVZLZCRHBVTI-ZCFIWIBFSA-N	-1	2	291.267	0.105	20	0		CCADLM
O=C([O-])[C@@H](C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1)C1CC1	ZINC001605893369	972703919	/nfs/dbraw/zinc/70/39/19/972703919.db2.gz	WXUCHAGXDIFCSC-DTWKUNHWSA-N	-1	2	294.311	0.327	20	0		CCADLM
COC[C@H](CCNC(=O)c1cccc2[nH]nnc21)OC	ZINC000617238693	365572676	/nfs/dbraw/zinc/57/26/76/365572676.db2.gz	JMIBJPMTEJPIMX-VIFPVBQESA-N	-1	2	278.312	0.739	20	0		CCADLM
Cn1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cn1	ZINC000032630670	348135797	/nfs/dbraw/zinc/13/57/97/348135797.db2.gz	VEHOKTNFUGBEJU-UHFFFAOYSA-N	-1	2	281.293	0.919	20	0		CCADLM
CCN1C(=O)N=NC1SCC[N@@H+]1CCCOCC1	ZINC000412982055	233301224	/nfs/dbraw/zinc/30/12/24/233301224.db2.gz	HUXMQGKBVWGAEM-UHFFFAOYSA-N	-1	2	272.374	0.818	20	0		CCADLM
Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)nn1C	ZINC000336830571	355205093	/nfs/dbraw/zinc/20/50/93/355205093.db2.gz	MLUZZGATBBTQIE-UHFFFAOYSA-N	-1	2	298.324	0.566	20	0		CCADLM
CCOC(=O)c1csc(=NCc2n[nH]c(=O)[nH]2)[n-]1	ZINC000392317027	357749283	/nfs/dbraw/zinc/74/92/83/357749283.db2.gz	KFQZLGLAHCKSQZ-UHFFFAOYSA-N	-1	2	269.286	0.178	20	0		CCADLM
C[C@@H]1CN(Cc2ncccc2O)CC[N@@H+]1CCO	ZINC000564302977	291273068	/nfs/dbraw/zinc/27/30/68/291273068.db2.gz	XLVABUAATIBKMM-LLVKDONJSA-N	-1	2	251.330	0.286	20	0		CCADLM
O=C([O-])c1cccc(NS(=O)(=O)c2cn[nH]c2)c1	ZINC000037731487	304263878	/nfs/dbraw/zinc/26/38/78/304263878.db2.gz	UVHZTGSCAKRQIO-UHFFFAOYSA-N	-1	2	267.266	0.909	20	0		CCADLM
O=C1NC(=O)N2CC[N@H+](Cc3ccc4c(c3)CCO4)C[C@@H]12	ZINC000355329659	389060949	/nfs/dbraw/zinc/06/09/49/389060949.db2.gz	WDXWXBLOOLCZSC-LBPRGKRZSA-N	-1	2	287.319	0.358	20	0		CCADLM
CC(C)[C@H](O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC000367788329	389358007	/nfs/dbraw/zinc/35/80/07/389358007.db2.gz	AHEWPEDNPYFCGK-VHSXEESVSA-N	-1	2	254.334	0.707	20	0		CCADLM
CC(C)C(=O)NCCNC(=O)c1cccc2[nH]nnc21	ZINC000182764049	389716322	/nfs/dbraw/zinc/71/63/22/389716322.db2.gz	ADIDWVMSZWJUQQ-UHFFFAOYSA-N	-1	2	275.312	0.460	20	0		CCADLM
CC(C)[C@@H]1CCC[N@H+](CC(=O)Nc2nn[nH]n2)C1	ZINC000571739881	390750488	/nfs/dbraw/zinc/75/04/88/390750488.db2.gz	AWOLJUAWEFTDSV-SECBINFHSA-N	-1	2	252.322	0.506	20	0		CCADLM
CC(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2nn[nH]n2)C1	ZINC000571739881	390750490	/nfs/dbraw/zinc/75/04/90/390750490.db2.gz	AWOLJUAWEFTDSV-SECBINFHSA-N	-1	2	252.322	0.506	20	0		CCADLM
O=c1cc(C[N@H+]2CC[C@@H](O)C23CCCC3)nc2cc[nH]n21	ZINC000578400785	390881277	/nfs/dbraw/zinc/88/12/77/390881277.db2.gz	UKTZCVRBDNXWHL-GFCCVEGCSA-N	-1	2	288.351	0.902	20	0		CCADLM
O=C([O-])Cc1cccc(S(=O)(=O)Nc2cncnc2)c1	ZINC000357069026	144056566	/nfs/dbraw/zinc/05/65/66/144056566.db2.gz	FDVRNDRCKXKRGS-UHFFFAOYSA-N	-1	2	293.304	0.905	20	0		CCADLM
C[C@@H](CNS(=O)(=O)[C@@H](C)C(F)(F)F)CC(=O)[O-]	ZINC000548264044	286020735	/nfs/dbraw/zinc/02/07/35/286020735.db2.gz	HVKSVAUGVIBIAC-RITPCOANSA-N	-1	2	277.264	0.967	20	0		CCADLM
Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n(C)n1	ZINC000022158543	171363358	/nfs/dbraw/zinc/36/33/58/171363358.db2.gz	SWSQKRFGTYEMRI-UHFFFAOYSA-N	-1	2	298.324	0.566	20	0		CCADLM
NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)o1	ZINC000826390107	608501433	/nfs/dbraw/zinc/50/14/33/608501433.db2.gz	QDHYWUZEQPXGIV-VIFPVBQESA-N	-1	2	276.300	0.300	20	0		CCADLM
NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(-c2nn[nH]n2)o1	ZINC000826390107	608501434	/nfs/dbraw/zinc/50/14/34/608501434.db2.gz	QDHYWUZEQPXGIV-VIFPVBQESA-N	-1	2	276.300	0.300	20	0		CCADLM
Cc1ccnc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1	ZINC000020213666	600826966	/nfs/dbraw/zinc/82/69/66/600826966.db2.gz	QJERTHNOWAZVGP-UHFFFAOYSA-N	-1	2	295.320	0.649	20	0		CCADLM
O=C([O-])CN(C(=O)CCc1ncn[nH]1)C1CCCC1	ZINC000833244723	601872401	/nfs/dbraw/zinc/87/24/01/601872401.db2.gz	LIWXQRIBILJBDL-UHFFFAOYSA-N	-1	2	266.301	0.593	20	0		CCADLM
Cc1n[nH]c(NC(=O)c2csc(CNC(=O)[O-])n2)n1	ZINC000740222878	602712117	/nfs/dbraw/zinc/71/21/17/602712117.db2.gz	OJPAODNRRCWOIA-UHFFFAOYSA-N	-1	2	282.285	0.590	20	0		CCADLM
C[C@H](NC(=O)c1ccc(F)cc1O)[C@H]1C[N@@H+](C)CCN1C	ZINC000896552002	632282213	/nfs/dbraw/zinc/28/22/13/632282213.db2.gz	IPCMNSIPDUBWFH-GXFFZTMASA-N	-1	2	295.358	0.895	20	0		CCADLM
C[C@@H](NC(=O)NC[C@]12C[C@H]1COC21CCC1)C(=O)[O-]	ZINC000900309076	633987587	/nfs/dbraw/zinc/98/75/87/633987587.db2.gz	UXLGPAKVYPIVGZ-VDDIYKPWSA-N	-1	2	268.313	0.718	20	0		CCADLM
Cn1cnc(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)c1	ZINC000900309040	633987868	/nfs/dbraw/zinc/98/78/68/633987868.db2.gz	UKQBJSUPAPINSK-UHFFFAOYSA-N	-1	2	294.233	0.579	20	0		CCADLM
C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](CCF)C(=O)[O-]	ZINC000848680127	643667561	/nfs/dbraw/zinc/66/75/61/643667561.db2.gz	AWCJOETWMLEVFR-UHNVWZDZSA-N	-1	2	281.227	0.669	20	0		CCADLM
Nc1nc(=O)[nH]cc1Nc1ccc([P@@](=O)([O-])O)cc1	ZINC001162796434	802419724	/nfs/dbraw/zinc/41/97/24/802419724.db2.gz	HRHQCOLKEFNXBE-UHFFFAOYSA-N	-1	2	282.196	0.311	20	0		CCADLM
Nc1nc(=O)[nH]cc1Nc1ccc([P@](=O)([O-])O)cc1	ZINC001162796434	802419725	/nfs/dbraw/zinc/41/97/25/802419725.db2.gz	HRHQCOLKEFNXBE-UHFFFAOYSA-N	-1	2	282.196	0.311	20	0		CCADLM
CCN(C(=O)c1ccccc1O)[C@H]1CC[N@@H+](CC(N)=O)C1	ZINC001033752929	818913730	/nfs/dbraw/zinc/91/37/30/818913730.db2.gz	HYRGRYGAKQWFSY-NSHDSACASA-N	-1	2	291.351	0.414	20	0		CCADLM
CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)CCC(=O)[O-]	ZINC000037828233	849264932	/nfs/dbraw/zinc/26/49/32/849264932.db2.gz	GJWAXQXAAJQOSI-UHFFFAOYSA-N	-1	2	295.320	0.808	20	0		CCADLM
N#CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC001139094390	851858871	/nfs/dbraw/zinc/85/88/71/851858871.db2.gz	GFSWIVBSKJWNLV-UHFFFAOYSA-N	-1	2	269.312	0.465	20	0		CCADLM
CN(CCC[N@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)C1CCC1	ZINC001380950710	907010049	/nfs/dbraw/zinc/01/00/49/907010049.db2.gz	WHUSVMNZXIWSSM-UHFFFAOYSA-N	-1	2	295.387	0.189	20	0		CCADLM
CN(CCC[N@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)CC1CC1	ZINC001407872495	919928665	/nfs/dbraw/zinc/92/86/65/919928665.db2.gz	GEBWHZUHQNBFGM-UHFFFAOYSA-N	-1	2	295.387	0.189	20	0		CCADLM
O=C(NCc1n[nH]c(=O)[nH]1)c1s[n-]c(=O)c1Cl	ZINC001362209523	927733572	/nfs/dbraw/zinc/73/35/72/927733572.db2.gz	JMYZVOFDNQVZJR-UHFFFAOYSA-N	-1	2	275.677	0.256	20	0		CCADLM
N=C1NC(=O)[C@H](CC(=O)NC[C@H](C(=O)[O-])C2CCC2)S1	ZINC001594654486	956495390	/nfs/dbraw/zinc/49/53/90/956495390.db2.gz	PHNCMUHUGXHOGA-YUMQZZPRSA-N	-1	2	299.352	0.160	20	0		CCADLM
COCCS(=O)(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001594023869	957690756	/nfs/dbraw/zinc/69/07/56/957690756.db2.gz	LFRZWXAWCDDKRZ-UHFFFAOYSA-N	-1	2	291.329	0.091	20	0		CCADLM
CC(C)(CC(=O)[O-])CC(=O)NCCc1n[nH]c(=S)o1	ZINC001590631807	990321610	/nfs/dbraw/zinc/32/16/10/990321610.db2.gz	OVPAZBFUGYHQET-UHFFFAOYSA-N	-1	2	287.341	0.908	20	0		CCADLM
CO[C@@H](CNC(=O)c1cccc2[nH]nnc21)[C@@H]1CCOC1	ZINC000617134234	365544985	/nfs/dbraw/zinc/54/49/85/365544985.db2.gz	CAVIJPSCKYLLFT-SKDRFNHKSA-N	-1	2	290.323	0.739	20	0		CCADLM
Cc1ccc(C[N@H+](CCO)Cc2nc(=O)[nH][nH]2)cc1	ZINC000273008126	353110191	/nfs/dbraw/zinc/11/01/91/353110191.db2.gz	UQWXOQODIWHEQK-UHFFFAOYSA-N	-1	2	262.313	0.401	20	0		CCADLM
CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1	ZINC000355734180	356634684	/nfs/dbraw/zinc/63/46/84/356634684.db2.gz	UJQBKIIXVKYXJY-LBPRGKRZSA-N	-1	2	254.334	0.883	20	0		CCADLM
C[C@H]1CN(C(=O)N=c2cccn[nH]2)CC[C@H]1C(=O)[O-]	ZINC000630564118	370172834	/nfs/dbraw/zinc/17/28/34/370172834.db2.gz	YDJWLKQNLWAPEE-DTWKUNHWSA-N	-1	2	264.285	0.473	20	0		CCADLM
CSC[C@@H](CCO)NC(=O)c1cccc2[nH]nnc21	ZINC000188502196	388931051	/nfs/dbraw/zinc/93/10/51/388931051.db2.gz	VJBPGUWUTNDNBS-MRVPVSSYSA-N	-1	2	280.353	0.802	20	0		CCADLM
Cc1cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)ccc1F	ZINC000335826996	389611972	/nfs/dbraw/zinc/61/19/72/389611972.db2.gz	BHZXVBFNZXALIB-LBPRGKRZSA-N	-1	2	277.299	0.870	20	0		CCADLM
C[C@@H]1CCN(C(=O)N=c2cccn[nH]2)C[C@@H]1C(=O)[O-]	ZINC000647697457	390140376	/nfs/dbraw/zinc/14/03/76/390140376.db2.gz	LALJDQLQTKSHSW-BDAKNGLRSA-N	-1	2	264.285	0.473	20	0		CCADLM
COCCN(CC(=O)[O-])C(=O)c1cc(F)c(O)c(F)c1	ZINC000653537499	412312284	/nfs/dbraw/zinc/31/22/84/412312284.db2.gz	TUJXMSDTPFVPFB-UHFFFAOYSA-N	-1	2	289.234	0.844	20	0		CCADLM
O=C([O-])c1ccc[nH+]c1N[C@@H]1C[C@@H](C(=O)[O-])C[C@@H]1O	ZINC000662895675	414875599	/nfs/dbraw/zinc/87/55/99/414875599.db2.gz	FUUAINSSADLJFJ-VDAHYXPESA-N	-1	2	266.253	0.416	20	0		CCADLM
O=C([O-])c1ccc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)[nH+]c1	ZINC000662899946	414881370	/nfs/dbraw/zinc/88/13/70/414881370.db2.gz	ZUJGPKWNYJHLKY-HLTSFMKQSA-N	-1	2	266.253	0.416	20	0		CCADLM
CCn1cc(S(=O)(=O)Nc2cncnc2)cc1C(=O)[O-]	ZINC000231773571	544859694	/nfs/dbraw/zinc/85/96/94/544859694.db2.gz	WJWWIZLFODQMKF-UHFFFAOYSA-N	-1	2	296.308	0.797	20	0		CCADLM
O=C(CCc1c[nH+]c[nH]1)NC1(c2nn[nH]n2)CCCC1	ZINC000581166286	336017567	/nfs/dbraw/zinc/01/75/67/336017567.db2.gz	JIUSXBPGXZQIPG-UHFFFAOYSA-N	-1	2	275.316	0.441	20	0		CCADLM
O=C(CCc1c[nH]c[nH+]1)NC1(c2nn[nH]n2)CCCC1	ZINC000581166286	336017568	/nfs/dbraw/zinc/01/75/68/336017568.db2.gz	JIUSXBPGXZQIPG-UHFFFAOYSA-N	-1	2	275.316	0.441	20	0		CCADLM
CC[NH+](CC)C[C@H](C)NS(=O)(=O)NCC(F)(F)F	ZINC000443224427	545096012	/nfs/dbraw/zinc/09/60/12/545096012.db2.gz	JABCHOZORVDNBI-QMMMGPOBSA-N	-1	2	291.339	0.703	20	0		CCADLM
C[C@H](NC(=O)[O-])C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1	ZINC000738996357	581117994	/nfs/dbraw/zinc/11/79/94/581117994.db2.gz	YOHPJEHMHGZFBS-LURJTMIESA-N	-1	2	292.251	0.625	20	0		CCADLM
O=C([O-])[C@H]1CCC[C@H](C(=O)NCc2n[nH]c(=O)[nH]2)C1	ZINC000392430904	601212382	/nfs/dbraw/zinc/21/23/82/601212382.db2.gz	USTGXUITIMGGEM-BQBZGAKWSA-N	-1	2	268.273	0.018	20	0		CCADLM
Cc1n[nH]c(NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)n1	ZINC000830770280	603660180	/nfs/dbraw/zinc/66/01/80/603660180.db2.gz	PSAARSNNNNOUPI-BQBZGAKWSA-N	-1	2	253.262	0.488	20	0		CCADLM
CC(C)(CC(=O)[O-])CC(=O)NCc1n[nH]c(=O)[nH]1	ZINC000392337164	605264181	/nfs/dbraw/zinc/26/41/81/605264181.db2.gz	XDTSEEGPSDXTFJ-UHFFFAOYSA-N	-1	2	256.262	0.018	20	0		CCADLM
O=C(CC[C@@H]1CCCN1C(=O)[O-])OCc1n[nH]c(=O)[nH]1	ZINC000833999782	605956335	/nfs/dbraw/zinc/95/63/35/605956335.db2.gz	PBYZLZXKRDJIOF-ZETCQYMHSA-N	-1	2	284.272	0.476	20	0		CCADLM
CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)o1	ZINC000820875435	615462268	/nfs/dbraw/zinc/46/22/68/615462268.db2.gz	AGQPSRNQDSXUGP-BDAKNGLRSA-N	-1	2	292.343	0.853	20	0		CCADLM
CC[C@@H](C)NC(=O)[C@H](C)NCc1ccc(-c2nn[nH]n2)o1	ZINC000820875435	615462270	/nfs/dbraw/zinc/46/22/70/615462270.db2.gz	AGQPSRNQDSXUGP-BDAKNGLRSA-N	-1	2	292.343	0.853	20	0		CCADLM
CCn1nccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000830452338	615727556	/nfs/dbraw/zinc/72/75/56/615727556.db2.gz	VGFKWWIVHWUKQV-UHFFFAOYSA-N	-1	2	298.324	0.741	20	0		CCADLM
CC[C@]1(C(=O)OCc2n[nH]c(=O)[nH]2)CCCN1C(=O)[O-]	ZINC000833845362	615982633	/nfs/dbraw/zinc/98/26/33/615982633.db2.gz	MDJCGOANQCRMKU-LLVKDONJSA-N	-1	2	284.272	0.476	20	0		CCADLM
COCCN(CCC(=O)[O-])c1ccc(C(=O)[O-])c[nH+]1	ZINC000900978197	616997433	/nfs/dbraw/zinc/99/74/33/616997433.db2.gz	BORPTTNXSGVIJE-UHFFFAOYSA-N	-1	2	268.269	0.707	20	0		CCADLM
CO[C@H](C)c1nc(C)c(C(=O)Nn2c(=O)[n-][nH]c2=O)s1	ZINC000816732100	617079047	/nfs/dbraw/zinc/07/90/47/617079047.db2.gz	SCYYTJTWATZYAQ-RXMQYKEDSA-N	-1	2	299.312	0.546	20	0		CCADLM
Cn1cc(C[NH+]2CCN(c3cc(=O)[nH]cn3)CC2)cn1	ZINC000892391353	623127506	/nfs/dbraw/zinc/12/75/06/623127506.db2.gz	WSCOWAIIEYVJTH-UHFFFAOYSA-N	-1	2	274.328	0.238	20	0		CCADLM
C[C@H](CN(C(=O)C[C@H]1SC(=N)NC1=O)C1CC1)C(=O)[O-]	ZINC000827433038	642006216	/nfs/dbraw/zinc/00/62/16/642006216.db2.gz	TZRHJHKKLFLKRP-HTRCEHHLSA-N	-1	2	299.352	0.255	20	0		CCADLM
COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c(Cl)c1O	ZINC001233397443	806055523	/nfs/dbraw/zinc/05/55/23/806055523.db2.gz	ADUBIEZRKHBKET-ZJUUUORDSA-N	-1	2	287.743	0.839	20	0		CCADLM
C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](OCc2nn[nH]n2)C1	ZINC001223026944	804947130	/nfs/dbraw/zinc/94/71/30/804947130.db2.gz	KFZQTWLMYPPTDP-GHMZBOCLSA-N	-1	2	274.328	0.947	20	0		CCADLM
O=C([O-])c1cc(S(=O)(=O)Nc2nnco2)ccc1O	ZINC001260391167	808859816	/nfs/dbraw/zinc/85/98/16/808859816.db2.gz	FJNQDUUICIOJTC-UHFFFAOYSA-N	-1	2	285.237	0.274	20	0		CCADLM
Cn1ccc(CNc2ccc([P@@](=O)([O-])O)cc2)cc1=O	ZINC001168403808	815989639	/nfs/dbraw/zinc/98/96/39/815989639.db2.gz	TZDUGBXKNVCMGM-UHFFFAOYSA-N	-1	2	294.247	0.800	20	0		CCADLM
Cn1ccc(CNc2ccc([P@](=O)([O-])O)cc2)cc1=O	ZINC001168403808	815989642	/nfs/dbraw/zinc/98/96/42/815989642.db2.gz	TZDUGBXKNVCMGM-UHFFFAOYSA-N	-1	2	294.247	0.800	20	0		CCADLM
CC(=O)N[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)CC(C)(C)C1	ZINC001089285920	816483237	/nfs/dbraw/zinc/48/32/37/816483237.db2.gz	SZFDVUXVWAHPCW-NSHDSACASA-N	-1	2	295.387	0.235	20	0		CCADLM
Cc1n[nH]cc1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000037730382	849238360	/nfs/dbraw/zinc/23/83/60/849238360.db2.gz	NDIHNCSCMZACOS-UHFFFAOYSA-N	-1	2	297.292	0.923	20	0		CCADLM
CC(C)(C)[C@H](C(=O)[O-])C(=O)NOC1CCOCC1	ZINC001602852719	971691762	/nfs/dbraw/zinc/69/17/62/971691762.db2.gz	DSNCNJVHWRUIPF-VIFPVBQESA-N	-1	2	259.302	0.960	20	0		CCADLM
O=C([O-])CCCC(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC001595025221	951342692	/nfs/dbraw/zinc/34/26/92/951342692.db2.gz	CHVSIHUGVOJWKZ-QMMMGPOBSA-N	-1	2	282.300	0.471	20	0		CCADLM
C[C@@H]1CCCN(C(=O)C[C@@H]2SC(=N)NC2=O)[C@@H]1C(=O)[O-]	ZINC001589325593	953904724	/nfs/dbraw/zinc/90/47/24/953904724.db2.gz	GVBBVJYEVPFNMC-FJXKBIBVSA-N	-1	2	299.352	0.255	20	0		CCADLM
CN(Cc1n[nH]c(=O)[nH]1)Cc1ccc(C(=O)[O-])cn1	ZINC001598515615	992614061	/nfs/dbraw/zinc/61/40/61/992614061.db2.gz	NUOIUXQQAKCCCS-UHFFFAOYSA-N	-1	2	263.257	0.236	20	0		CCADLM
COCC[C@@H](NC(=O)C(F)C(F)(F)F)C(=O)[O-]	ZINC001599213710	997546061	/nfs/dbraw/zinc/54/60/61/997546061.db2.gz	QWKXVYCFOSALOB-UHNVWZDZSA-N	-1	2	261.171	0.493	20	0		CCADLM
COCC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C(=O)[O-]	ZINC001599213710	997546072	/nfs/dbraw/zinc/54/60/72/997546072.db2.gz	QWKXVYCFOSALOB-UHNVWZDZSA-N	-1	2	261.171	0.493	20	0		CCADLM
Cn1cc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)cn1	ZINC000036983439	136751557	/nfs/dbraw/zinc/75/15/57/136751557.db2.gz	JKGMDJLXSGOFKA-UHFFFAOYSA-N	-1	2	295.320	0.848	20	0		CCADLM
Cn1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)cn1	ZINC000037592407	348191611	/nfs/dbraw/zinc/19/16/11/348191611.db2.gz	DNFZQJOWSXZONC-UHFFFAOYSA-N	-1	2	297.292	0.625	20	0		CCADLM
O=C([O-])Cc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1	ZINC000037744807	348200786	/nfs/dbraw/zinc/20/07/86/348200786.db2.gz	YPWOECCAOAPZSA-UHFFFAOYSA-N	-1	2	281.293	0.838	20	0		CCADLM
CS[C@@H](CO)[C@H](C)NC(=O)c1cccc2[nH]nnc21	ZINC000163670473	350770346	/nfs/dbraw/zinc/77/03/46/350770346.db2.gz	UKRQHMGRSGEPHJ-XVKPBYJWSA-N	-1	2	280.353	0.800	20	0		CCADLM
CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)n1	ZINC000176806441	351184954	/nfs/dbraw/zinc/18/49/54/351184954.db2.gz	VZZYVAXKIUABAX-GFCCVEGCSA-N	-1	2	290.367	0.988	20	0		CCADLM
COC(=O)[C@H]1CCCC[N@H+]1CCCOC(=O)NC(N)=O	ZINC000267074637	352742802	/nfs/dbraw/zinc/74/28/02/352742802.db2.gz	PHEOGKIBIIBFAC-SECBINFHSA-N	-1	2	287.316	0.209	20	0		CCADLM
O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1cccc2[nH]nnc21	ZINC000619078941	366188884	/nfs/dbraw/zinc/18/88/84/366188884.db2.gz	XATVJESPIGQHSX-GHMZBOCLSA-N	-1	2	272.308	0.991	20	0		CCADLM
CCc1nsc(NC[C@@]2(C(=O)[O-])CCCOC2)n1	ZINC000630464595	370126144	/nfs/dbraw/zinc/12/61/44/370126144.db2.gz	YJSVZLMDOXILBS-NSHDSACASA-N	-1	2	271.342	0.816	20	0		CCADLM
CC1(C)OCc2[nH]n(-c3ccc(C(=O)[O-])nc3)c(=O)c21	ZINC000634609240	372096752	/nfs/dbraw/zinc/09/67/52/372096752.db2.gz	AAWOTJWIWYCWKV-SNVBAGLBSA-N	-1	2	275.264	0.907	20	0		CCADLM
O=C(N[C@H]1CCCC[C@@H]1O)c1cccc2[nH]nnc21	ZINC000188561382	388933223	/nfs/dbraw/zinc/93/32/23/388933223.db2.gz	HQYJHXGXGSKVDS-ONGXEEELSA-N	-1	2	260.297	0.991	20	0		CCADLM
C[N@H+]1CCN(Cc2n[nH]c(=O)[nH]2)CC12CCCCC2	ZINC000579254743	390157579	/nfs/dbraw/zinc/15/75/79/390157579.db2.gz	UTBVBEZXKHEMHJ-UHFFFAOYSA-N	-1	2	265.361	0.961	20	0		CCADLM
[NH3+]CC(F)(F)CC(=O)Nc1nc(-c2ccccn2)n[nH]1	ZINC000571696848	390748748	/nfs/dbraw/zinc/74/87/48/390748748.db2.gz	REMOUIBFUWVINC-UHFFFAOYSA-N	-1	2	282.254	0.789	20	0		CCADLM
C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](C(=O)[O-])C1CC1	ZINC000548216403	286017077	/nfs/dbraw/zinc/01/70/77/286017077.db2.gz	DNVWXXZATNXART-XINAWCOVSA-N	-1	2	275.248	0.720	20	0		CCADLM
O=C1NC(=O)N2CC[N@@H+](Cc3cnc4ccccc4n3)C[C@@H]12	ZINC000660147469	414153383	/nfs/dbraw/zinc/15/33/83/414153383.db2.gz	NNXWJUDIGFQFKW-ZDUSSCGKSA-N	-1	2	297.318	0.366	20	0		CCADLM
O=C([N-]OCc1ccc(F)cc1)c1n[nH]c(=O)[nH]c1=O	ZINC000757593507	581703966	/nfs/dbraw/zinc/70/39/66/581703966.db2.gz	NPZORFKLFQSYES-UHFFFAOYSA-N	-1	2	280.215	0.284	20	0		CCADLM
N=C1NC(=O)[C@H](CC(=O)N2CCC[C@@H](CC(=O)[O-])C2)S1	ZINC000819124791	597092585	/nfs/dbraw/zinc/09/25/85/597092585.db2.gz	RLAUXZFOMBEZNI-YUMQZZPRSA-N	-1	2	299.352	0.256	20	0		CCADLM
O=C([O-])CSCC(=O)NOCc1cccnc1	ZINC000821537489	597349192	/nfs/dbraw/zinc/34/91/92/597349192.db2.gz	SRARYXYJVIIAGV-UHFFFAOYSA-N	-1	2	256.283	0.447	20	0		CCADLM
O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc(F)cc2)cn1	ZINC000035651651	600673007	/nfs/dbraw/zinc/67/30/07/600673007.db2.gz	DGJVZWJDTNPILD-UHFFFAOYSA-N	-1	2	299.283	0.908	20	0		CCADLM
C[C@]1(C(=O)OCc2n[nH]c(=O)[nH]2)CCCCN1C(=O)[O-]	ZINC000833822192	605865816	/nfs/dbraw/zinc/86/58/16/605865816.db2.gz	JTPTZKGLFJHSFI-LLVKDONJSA-N	-1	2	284.272	0.476	20	0		CCADLM
O=C([O-])N1CCCC[C@@H]1C(=O)OCc1n[nH]c(=O)[nH]1	ZINC000834285994	605955479	/nfs/dbraw/zinc/95/54/79/605955479.db2.gz	MGFYFHCSIJVRLW-ZCFIWIBFSA-N	-1	2	270.245	0.086	20	0		CCADLM
O=C([O-])NC1(CC(=O)OCc2n[nH]c(=O)[nH]2)CCC1	ZINC000834155241	605956474	/nfs/dbraw/zinc/95/64/74/605956474.db2.gz	UFNAPOFSPQUOEC-UHFFFAOYSA-N	-1	2	270.245	0.134	20	0		CCADLM
CCCCC[C@@H](NC(=O)CCc1ncn[nH]1)C(=O)[O-]	ZINC000829320557	614927808	/nfs/dbraw/zinc/92/78/08/614927808.db2.gz	BVYPFPJFPBRRFG-SECBINFHSA-N	-1	2	268.317	0.887	20	0		CCADLM
CCc1ncsc1C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000816732952	615791478	/nfs/dbraw/zinc/79/14/78/615791478.db2.gz	CPRONWHHJTVMHV-UHFFFAOYSA-N	-1	2	255.259	0.092	20	0		CCADLM
COCCN(CCC(=O)[O-])c1cccc(C(=O)[O-])[nH+]1	ZINC000900978826	616997193	/nfs/dbraw/zinc/99/71/93/616997193.db2.gz	RVNJLTSQDRQXEI-UHFFFAOYSA-N	-1	2	268.269	0.707	20	0		CCADLM
Cc1nc(NCCOP(=O)([O-])[O-])c2c([nH+]1)CCC2	ZINC001157791017	801486121	/nfs/dbraw/zinc/48/61/21/801486121.db2.gz	GWKQFBFMUGAZAF-UHFFFAOYSA-N	-1	2	273.229	0.795	20	0		CCADLM
O=c1[nH][nH]cc1CCCNc1ccc([P@](=O)([O-])O)cc1	ZINC001164395430	802737170	/nfs/dbraw/zinc/73/71/70/802737170.db2.gz	LSBCQYKOHDFKMP-SECBINFHSA-N	-1	2	297.251	0.414	20	0		CCADLM
O=c1[nH][nH]cc1CCCNc1ccc([P@@](=O)([O-])O)cc1	ZINC001164395430	802737174	/nfs/dbraw/zinc/73/71/74/802737174.db2.gz	LSBCQYKOHDFKMP-SECBINFHSA-N	-1	2	297.251	0.414	20	0		CCADLM
Nc1cncc(S(=O)(=O)Nc2ccc(C(=O)[O-])nc2)c1	ZINC001210174269	803640344	/nfs/dbraw/zinc/64/03/44/803640344.db2.gz	MCDCBXMNOIIGJV-UHFFFAOYSA-N	-1	2	294.292	0.558	20	0		CCADLM
O=C(NCCCC[P@](=O)([O-])O)c1[nH]nc2c1CCC2	ZINC001201242790	847748152	/nfs/dbraw/zinc/74/81/52/847748152.db2.gz	KYNLLRJXIXAUMM-UHFFFAOYSA-N	-1	2	287.256	0.586	20	0		CCADLM
O=C(NCCCC[P@@](=O)([O-])O)c1[nH]nc2c1CCC2	ZINC001201242790	847748162	/nfs/dbraw/zinc/74/81/62/847748162.db2.gz	KYNLLRJXIXAUMM-UHFFFAOYSA-N	-1	2	287.256	0.586	20	0		CCADLM
O=C([O-])C(F)(F)CNS(=O)(=O)Cc1ccccc1F	ZINC000396585027	854370032	/nfs/dbraw/zinc/37/00/32/854370032.db2.gz	JNZBWPSQCZDNSI-UHFFFAOYSA-N	-1	2	297.254	0.965	20	0		CCADLM
CSc1ncc(C(=O)N[C@H](C)c2nnc[nH]2)c(=O)[nH]1	ZINC001362263489	927796249	/nfs/dbraw/zinc/79/62/49/927796249.db2.gz	ANHQVVSMRMTFAU-RXMQYKEDSA-N	-1	2	280.313	0.513	20	0		CCADLM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC001574280052	960636374	/nfs/dbraw/zinc/63/63/74/960636374.db2.gz	DJOFFVIBGRLDLE-UJVNDKKSSA-N	-1	2	294.311	0.327	20	0		CCADLM
C[C@H](CC(=O)[O-])CC(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC001592374891	977904786	/nfs/dbraw/zinc/90/47/86/977904786.db2.gz	FGIUZRMGFYLFRN-IUCAKERBSA-N	-1	2	296.327	0.717	20	0		CCADLM
CC(C)(C(=O)[N-]OCCCC(=O)[O-])c1c[nH]c[nH+]1	ZINC001589574811	987349498	/nfs/dbraw/zinc/34/94/98/987349498.db2.gz	MYQSHPAQAUCZFZ-UHFFFAOYSA-N	-1	2	255.274	0.600	20	0		CCADLM
C[C@@H](CC(=O)[O-])OC(=O)C(C)(C)NC(=O)C(F)(F)F	ZINC001599833400	988707190	/nfs/dbraw/zinc/70/71/90/988707190.db2.gz	NPEVUWJZHDOZQH-YFKPBYRVSA-N	-1	2	285.218	0.850	20	0		CCADLM
C[C@@H](OC(=O)C(C)(C)NC(=O)C(F)(F)F)C(=O)[O-]	ZINC001599846281	988937816	/nfs/dbraw/zinc/93/78/16/988937816.db2.gz	HJCMVUWGLQKVGY-SCSAIBSYSA-N	-1	2	271.191	0.460	20	0		CCADLM
C[C@@H]1CCN(C(=O)C[C@@H]2SC(=N)NC2=O)[C@@H](C(=O)[O-])C1	ZINC001594397363	999497169	/nfs/dbraw/zinc/49/71/69/999497169.db2.gz	XXPYIFIOIRKMGJ-PRJMDXOYSA-N	-1	2	299.352	0.255	20	0		CCADLM
CCO[C@H]1COCC[C@@H]1NC(=O)N=c1ccc(OC)n[n-]1	ZINC000346677044	137298910	/nfs/dbraw/zinc/29/89/10/137298910.db2.gz	UYRICFRRZFVCJG-UWVGGRQHSA-N	-1	2	296.327	0.223	20	0		CCADLM
CCc1cc(=O)[nH]c(C[N@H+](C)CC(C)(CO)CO)n1	ZINC000120594860	349994564	/nfs/dbraw/zinc/99/45/64/349994564.db2.gz	VKTRETZIWHZREY-UHFFFAOYSA-N	-1	2	269.345	0.167	20	0		CCADLM
O=C(NCCCCNc1cccc[nH+]1)c1cnn[nH]1	ZINC000109282114	186246915	/nfs/dbraw/zinc/24/69/15/186246915.db2.gz	RSTYYFCPEFXADR-UHFFFAOYSA-N	-1	2	260.301	0.822	20	0		CCADLM
Cn1ncc2c1[nH]cc(C(=O)N1CCSCC1)c2=O	ZINC000179434551	351267042	/nfs/dbraw/zinc/26/70/42/351267042.db2.gz	BTUNFBBVFZDANY-UHFFFAOYSA-N	-1	2	278.337	0.863	20	0		CCADLM
COc1cc(NS(=O)(=O)c2cn[nH]c2)ccc1C(=O)[O-]	ZINC000227177793	352039883	/nfs/dbraw/zinc/03/98/83/352039883.db2.gz	XILDWFLVMUTOJK-UHFFFAOYSA-N	-1	2	297.292	0.917	20	0		CCADLM
C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc4n[nH]nc4c3)C[C@H]21	ZINC000329963091	354278924	/nfs/dbraw/zinc/27/89/24/354278924.db2.gz	PPRVGFXPVDGIPV-CHWSQXEVSA-N	-1	2	287.323	0.113	20	0		CCADLM
CC[C@](C)(NS(=O)(=O)CC(F)(F)F)C(=O)[O-]	ZINC000570566790	358869767	/nfs/dbraw/zinc/86/97/67/358869767.db2.gz	IWDMVRWZOZDCOO-LURJTMIESA-N	-1	2	263.237	0.721	20	0		CCADLM
O=C([O-])COCCN=c1[nH]nc(C2CCOCC2)s1	ZINC000634964554	372315345	/nfs/dbraw/zinc/31/53/45/372315345.db2.gz	CTYVCKDDLHJSTE-UHFFFAOYSA-N	-1	2	287.341	0.367	20	0		CCADLM
CC[N@@H+]1CCCN(C(=O)N=c2nc3n([nH]2)CCCC3)CC1	ZINC000333180908	205096860	/nfs/dbraw/zinc/09/68/60/205096860.db2.gz	LTSFKLUGZAMCFS-UHFFFAOYSA-N	-1	2	292.387	0.596	20	0		CCADLM
O=C([O-])[C@]1(NS(=O)(=O)CC(F)(F)F)CCSC1	ZINC000569599163	291692536	/nfs/dbraw/zinc/69/25/36/291692536.db2.gz	NNBJASPTEURJAO-LURJTMIESA-N	-1	2	293.288	0.428	20	0		CCADLM
CC(C)(C)n1cnc(=NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[nH]1	ZINC000329767376	389197959	/nfs/dbraw/zinc/19/79/59/389197959.db2.gz	ZLFHZZAQPLAUCA-LLVKDONJSA-N	-1	2	292.387	0.767	20	0		CCADLM
CC(C)[C@H]1CCC[N@H+](CC(=O)Nc2nn[nH]n2)C1	ZINC000571739882	390750247	/nfs/dbraw/zinc/75/02/47/390750247.db2.gz	AWOLJUAWEFTDSV-VIFPVBQESA-N	-1	2	252.322	0.506	20	0		CCADLM
CC(C)[C@H]1CCC[N@@H+](CC(=O)Nc2nn[nH]n2)C1	ZINC000571739882	390750249	/nfs/dbraw/zinc/75/02/49/390750249.db2.gz	AWOLJUAWEFTDSV-VIFPVBQESA-N	-1	2	252.322	0.506	20	0		CCADLM
CN(CC[NH+]1CCCCC1)C(=O)N=c1cccn[nH]1	ZINC000650077070	397693171	/nfs/dbraw/zinc/69/31/71/397693171.db2.gz	PMRBHQQUPNLBAW-UHFFFAOYSA-N	-1	2	263.345	0.848	20	0		CCADLM
Cc1cccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1	ZINC000020213599	171076172	/nfs/dbraw/zinc/07/61/72/171076172.db2.gz	MMRRCIUSTNZDSH-UHFFFAOYSA-N	-1	2	281.293	0.639	20	0		CCADLM
O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3c[nH+]c4ccccn34)C2)N1	ZINC000192634146	544802238	/nfs/dbraw/zinc/80/22/38/544802238.db2.gz	JCKPQBWXGYLTNE-HNNXBMFYSA-N	-1	2	299.334	0.508	20	0		CCADLM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1nncs1	ZINC000055311276	526762112	/nfs/dbraw/zinc/76/21/12/526762112.db2.gz	DOJDSUGANSCLMM-UHFFFAOYSA-N	-1	2	289.294	0.939	20	0		CCADLM
C[C@H]1CN(C(=O)[O-])CCN1Cc1cc(=O)n2[nH]ccc2n1	ZINC000739158087	581513470	/nfs/dbraw/zinc/51/34/70/581513470.db2.gz	YCGQKYNJMJCWGX-VIFPVBQESA-N	-1	2	291.311	0.207	20	0		CCADLM
O=C([O-])CC[C@@H](NC(=O)C1=NNC(=O)C1)c1ccccc1	ZINC000739659212	581588177	/nfs/dbraw/zinc/58/81/77/581588177.db2.gz	KRLJCZXJVUXICM-SNVBAGLBSA-N	-1	2	289.291	0.585	20	0		CCADLM
C[N@H+]1CCO[C@@H](C(=O)Nc2n[nH]c(-c3cccs3)n2)C1	ZINC000746211344	581900854	/nfs/dbraw/zinc/90/08/54/581900854.db2.gz	CVRUEUKEVZJPRD-MRVPVSSYSA-N	-1	2	293.352	0.802	20	0		CCADLM
O=C(NC[C@H]1CC[C@@H](O)C1)c1cccc2[nH]nnc21	ZINC000191314142	581987447	/nfs/dbraw/zinc/98/74/47/581987447.db2.gz	UHFRELNBKFOFQR-DTWKUNHWSA-N	-1	2	260.297	0.849	20	0		CCADLM
Cc1nc2cc[nH]n2c(=O)c1CC(=O)OCCCC(=O)[O-]	ZINC000738168219	582026268	/nfs/dbraw/zinc/02/62/68/582026268.db2.gz	ZHZWUECFLNRVCO-UHFFFAOYSA-N	-1	2	293.279	0.282	20	0		CCADLM
COCCS(=O)(=O)Nc1csnc1C(=O)[O-]	ZINC000831788449	616613037	/nfs/dbraw/zinc/61/30/37/616613037.db2.gz	UEJHJRCBHPLEFO-UHFFFAOYSA-N	-1	2	266.300	0.229	20	0		CCADLM
O=C([O-])Cn1cnc(NS(=O)(=O)c2cccs2)n1	ZINC000833276604	600987141	/nfs/dbraw/zinc/98/71/41/600987141.db2.gz	JURFONDUIXRHMN-UHFFFAOYSA-N	-1	2	288.310	0.225	20	0		CCADLM
C[C@H]1OCC[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)[C@@H]1C	ZINC000825019115	607514482	/nfs/dbraw/zinc/51/44/82/607514482.db2.gz	CDSQTCXCPHHVAO-NXEZZACHSA-N	-1	2	274.328	0.871	20	0		CCADLM
COC(=O)c1c[n-]c(Sc2c(C)[nH][nH]c2=O)n1	ZINC000917496208	637972713	/nfs/dbraw/zinc/97/27/13/637972713.db2.gz	MCZRTSMKXOPDAW-LURJTMIESA-N	-1	2	254.271	0.163	20	0		CCADLM
Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C	ZINC000921414184	638180509	/nfs/dbraw/zinc/18/05/09/638180509.db2.gz	FOESLRNBZXOBOH-QMMMGPOBSA-N	-1	2	292.792	0.364	20	0		CCADLM
C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H](CCF)C(=O)[O-]	ZINC000848680125	643667877	/nfs/dbraw/zinc/66/78/77/643667877.db2.gz	AWCJOETWMLEVFR-CRCLSJGQSA-N	-1	2	281.227	0.669	20	0		CCADLM
CN1C[C@@H](Nc2ccc([P@@](=O)([O-])O)cc2)CCC1=O	ZINC001167253239	790748153	/nfs/dbraw/zinc/74/81/53/790748153.db2.gz	MJOVWMPSSUORHH-JTQLQIEISA-N	-1	2	284.252	0.522	20	0		CCADLM
CN1C[C@@H](Nc2ccc([P@](=O)([O-])O)cc2)CCC1=O	ZINC001167253239	790748161	/nfs/dbraw/zinc/74/81/61/790748161.db2.gz	MJOVWMPSSUORHH-JTQLQIEISA-N	-1	2	284.252	0.522	20	0		CCADLM
C[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC(C)(C)C1	ZINC001220288663	804562119	/nfs/dbraw/zinc/56/21/19/804562119.db2.gz	FLRLSYQYURSYHV-AEJSXWLSSA-N	-1	2	280.376	0.401	20	0		CCADLM
CC(C)=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2O)C1	ZINC001076917073	815411441	/nfs/dbraw/zinc/41/14/41/815411441.db2.gz	PDYOGJAVLAYKBM-DGCLKSJQSA-N	-1	2	291.351	0.528	20	0		CCADLM
C[C@H]1CN(C(=O)C(F)F)CC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1	ZINC001035869730	819643426	/nfs/dbraw/zinc/64/34/26/819643426.db2.gz	UWGRBGHKHFUCLE-NKWVEPMBSA-N	-1	2	289.286	0.102	20	0		CCADLM
CN(Cc1nc(=O)o[n-]1)C(=O)c1c(O)cc(F)cc1F	ZINC001420987821	924075073	/nfs/dbraw/zinc/07/50/73/924075073.db2.gz	RYDLOSSLEWHIRN-UHFFFAOYSA-N	-1	2	285.206	0.619	20	0		CCADLM
N=C1NC(=O)[C@@H](CC(=O)N2CCCC[C@@H]2CC(=O)[O-])S1	ZINC001594654612	956496720	/nfs/dbraw/zinc/49/67/20/956496720.db2.gz	UCFAUNVMFHUUNB-HTQZYQBOSA-N	-1	2	299.352	0.399	20	0		CCADLM
O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc(O)cc2)cn1	ZINC000037047967	957261958	/nfs/dbraw/zinc/26/19/58/957261958.db2.gz	GMRWAJVMOPKZFU-UHFFFAOYSA-N	-1	2	297.292	0.474	20	0		CCADLM
CCOC(=O)C(C)(C)ONC(=O)[C@@H](C(=O)[O-])C1CC1	ZINC001603778564	974231019	/nfs/dbraw/zinc/23/10/19/974231019.db2.gz	RAFPSGSKXPBOKI-QMMMGPOBSA-N	-1	2	273.285	0.487	20	0		CCADLM
C[C@@H](NC(=O)CCSCC(=O)[O-])C1=NN(C)CC1=O	ZINC001593019038	980266752	/nfs/dbraw/zinc/26/67/52/980266752.db2.gz	GYEOYOVJGXTHLL-SSDOTTSWSA-N	-1	2	287.341	0.511	20	0		CCADLM
C[C@@H](NC(=O)CCSCC(=O)[O-])c1nn(C)cc1O	ZINC001593019038	980266760	/nfs/dbraw/zinc/26/67/60/980266760.db2.gz	GYEOYOVJGXTHLL-SSDOTTSWSA-N	-1	2	287.341	0.511	20	0		CCADLM
CC[C@H](C)NC(=O)[C@@H](C)[N@H+](CCC(=O)[O-])CC(=O)[O-]	ZINC001594986186	982810882	/nfs/dbraw/zinc/81/08/82/982810882.db2.gz	BCZYPOXORINNHL-DTWKUNHWSA-N	-1	2	274.317	0.151	20	0		CCADLM
CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](CCC(=O)[O-])CC(=O)[O-]	ZINC001594986186	982810887	/nfs/dbraw/zinc/81/08/87/982810887.db2.gz	BCZYPOXORINNHL-DTWKUNHWSA-N	-1	2	274.317	0.151	20	0		CCADLM
C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@@H](C(=O)[O-])O1	ZINC001599853071	989044648	/nfs/dbraw/zinc/04/46/48/989044648.db2.gz	VLVIGJYAGKBJNT-SRQIZXRXSA-N	-1	2	273.182	0.587	20	0		CCADLM
C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@@H](C(=O)[O-])O1	ZINC001599853071	989044661	/nfs/dbraw/zinc/04/46/61/989044661.db2.gz	VLVIGJYAGKBJNT-SRQIZXRXSA-N	-1	2	273.182	0.587	20	0		CCADLM
C[C@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)c1nn(C)cc1O	ZINC001593140794	993923557	/nfs/dbraw/zinc/92/35/57/993923557.db2.gz	NMRZTXXYDFIFHM-YRCORFKGSA-N	-1	2	297.311	0.181	20	0		CCADLM
COC(=O)C[C@H](NC(=O)C(F)C(F)(F)F)C(=O)[O-]	ZINC001598838418	996504962	/nfs/dbraw/zinc/50/49/62/996504962.db2.gz	RYBLKUCEUATXIT-WVZVXSGGSA-N	-1	2	275.154	0.019	20	0		CCADLM
COC(=O)C[C@H](NC(=O)[C@@H](F)C(F)(F)F)C(=O)[O-]	ZINC001598838418	996504965	/nfs/dbraw/zinc/50/49/65/996504965.db2.gz	RYBLKUCEUATXIT-WVZVXSGGSA-N	-1	2	275.154	0.019	20	0		CCADLM
C[NH+](C)CCOc1ccc(NC(=O)c2nc(=O)[nH][nH]2)cc1	ZINC000118494217	349902965	/nfs/dbraw/zinc/90/29/65/349902965.db2.gz	RRBQBEQVTMRWKH-UHFFFAOYSA-N	-1	2	291.311	0.291	20	0		CCADLM
Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cn1	ZINC000032630795	348135743	/nfs/dbraw/zinc/13/57/43/348135743.db2.gz	QPOAGVVLXLBUAD-UHFFFAOYSA-N	-1	2	287.322	0.981	20	0		CCADLM
O=C([O-])c1ccc(NS(=O)(=O)c2cn[nH]c2)c(O)c1	ZINC000037744919	348200748	/nfs/dbraw/zinc/20/07/48/348200748.db2.gz	BZGIGZUXGVYRBX-UHFFFAOYSA-N	-1	2	283.265	0.614	20	0		CCADLM
CCOC(=O)[C@H]1CC[C@H](NC(=O)N=c2[n-]ncs2)C1	ZINC000346642449	137296312	/nfs/dbraw/zinc/29/63/12/137296312.db2.gz	LMHHQOZQLLUUHS-YUMQZZPRSA-N	-1	2	284.341	0.813	20	0		CCADLM
CCOC(=O)C[C@H](C)N(C)C(=O)N=c1ccc(OC)n[n-]1	ZINC000346639941	137296533	/nfs/dbraw/zinc/29/65/33/137296533.db2.gz	UIZDOZKVHMCHRR-VIFPVBQESA-N	-1	2	296.327	0.713	20	0		CCADLM
COc1ccc(=NC(=O)NC[C@@H]2CCC[C@@H]2OC)[n-]n1	ZINC000346641621	137296611	/nfs/dbraw/zinc/29/66/11/137296611.db2.gz	WCXUGGQLCBTPQF-UWVGGRQHSA-N	-1	2	280.328	0.844	20	0		CCADLM
COCC[C@H](CO)NC(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000346678466	137298937	/nfs/dbraw/zinc/29/89/37/137298937.db2.gz	YHPVRLIMUHAZQV-SNVBAGLBSA-N	-1	2	298.343	0.205	20	0		CCADLM
CCc1nn(C)cc1CNC(=O)N=c1ccc(OC)n[n-]1	ZINC000346677869	137298967	/nfs/dbraw/zinc/29/89/67/137298967.db2.gz	WLNITTVXCSBQKL-UHFFFAOYSA-N	-1	2	290.327	0.525	20	0		CCADLM
COC[C@@H](NC(=O)N=c1ccc(OC)n[n-]1)C1CC1	ZINC000346677856	137299140	/nfs/dbraw/zinc/29/91/40/137299140.db2.gz	YALVKMKUDRQZBK-SECBINFHSA-N	-1	2	266.301	0.454	20	0		CCADLM
O=C([O-])c1ccc(NS(=O)(=O)c2c[nH]cn2)cc1	ZINC000070415435	348886614	/nfs/dbraw/zinc/88/66/14/348886614.db2.gz	CCDDWKGYZFJLHC-UHFFFAOYSA-N	-1	2	267.266	0.909	20	0		CCADLM
O=C(N[C@H]1CCCC[C@H]1O)c1cccc2[nH]nnc21	ZINC000188561423	388933735	/nfs/dbraw/zinc/93/37/35/388933735.db2.gz	HQYJHXGXGSKVDS-GXSJLCMTSA-N	-1	2	260.297	0.991	20	0		CCADLM
Cn1nnc2c1C[C@@H](C(=O)N=c1ccc(C3CC3)n[nH]1)CC2	ZINC000329626913	389178811	/nfs/dbraw/zinc/17/88/11/389178811.db2.gz	PBYOXCYRDWKKET-JTQLQIEISA-N	-1	2	298.350	0.648	20	0		CCADLM
NC(=O)[C@@H](NC(=O)c1cccc2[nH]nnc21)c1ccccc1	ZINC000526115271	390676832	/nfs/dbraw/zinc/67/68/32/390676832.db2.gz	WCVOWAASQWOWLL-LBPRGKRZSA-N	-1	2	295.302	0.914	20	0		CCADLM
C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC000548534984	286046214	/nfs/dbraw/zinc/04/62/14/286046214.db2.gz	KILIACWMVABVLU-DMTCNVIQSA-N	-1	2	299.217	0.965	20	0		CCADLM
Cn1cc(S(=O)(=O)Nc2ccsc2C(=O)[O-])cn1	ZINC000035306649	172120586	/nfs/dbraw/zinc/12/05/86/172120586.db2.gz	NEAOQXCGDFGNGI-UHFFFAOYSA-N	-1	2	287.322	0.981	20	0		CCADLM
O=C([O-])c1cccc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)[nH+]1	ZINC000662896872	414875020	/nfs/dbraw/zinc/87/50/20/414875020.db2.gz	QDDBJXSTYMPONP-FTLITQJKSA-N	-1	2	266.253	0.416	20	0		CCADLM
CC(C)(CCNC(=O)N=c1cccn[nH]1)C(=O)[O-]	ZINC000424385013	527038609	/nfs/dbraw/zinc/03/86/09/527038609.db2.gz	SWYRJDVNCXZHLI-UHFFFAOYSA-N	-1	2	252.274	0.521	20	0		CCADLM
Cc1n[nH]c(C(=O)NN2Cc3ccccc3C2=O)c1[O-]	ZINC000782074965	581287269	/nfs/dbraw/zinc/28/72/69/581287269.db2.gz	PLAIZOLNSREYNB-UHFFFAOYSA-N	-1	2	272.264	0.725	20	0		CCADLM
Cc1[nH]nc(C(=O)[N-]N2Cc3ccccc3C2=O)c1O	ZINC000782074965	581287271	/nfs/dbraw/zinc/28/72/71/581287271.db2.gz	PLAIZOLNSREYNB-UHFFFAOYSA-N	-1	2	272.264	0.725	20	0		CCADLM
CCOC(=O)[C@H](C)NC(=O)c1cccc2[nH]nnc21	ZINC000783570261	581350187	/nfs/dbraw/zinc/35/01/87/581350187.db2.gz	JPNIEIOREQUJAU-ZETCQYMHSA-N	-1	2	262.269	0.639	20	0		CCADLM
N=C1NC(=O)[C@@H](CC(=O)NC2(C(=O)[O-])CCCCC2)S1	ZINC000821357008	600864507	/nfs/dbraw/zinc/86/45/07/600864507.db2.gz	AKQOTPRUZIMQJI-SSDOTTSWSA-N	-1	2	299.352	0.447	20	0		CCADLM
O=C([O-])Cc1ccc(NC(=O)NCc2n[nH]c(=O)[nH]2)cc1	ZINC000392382002	602364063	/nfs/dbraw/zinc/36/40/63/602364063.db2.gz	WGIBQCYWVYIMJY-UHFFFAOYSA-N	-1	2	291.267	0.459	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N2CC[C@H](N(C)C(=O)[O-])C2)n1	ZINC000830678479	603549948	/nfs/dbraw/zinc/54/99/48/603549948.db2.gz	OYVRMAJFLHFACG-QMMMGPOBSA-N	-1	2	299.356	0.416	20	0		CCADLM
NC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)CC1	ZINC000826391836	608661762	/nfs/dbraw/zinc/66/17/62/608661762.db2.gz	DFBOEGQAKSRLQG-UHFFFAOYSA-N	-1	2	291.315	0.046	20	0		CCADLM
NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)o2)CC1	ZINC000826391836	608661764	/nfs/dbraw/zinc/66/17/64/608661764.db2.gz	DFBOEGQAKSRLQG-UHFFFAOYSA-N	-1	2	291.315	0.046	20	0		CCADLM
CCCNC(=O)CCNc1[nH+]ccc(C)c1-c1nn[nH]n1	ZINC000825328313	614848834	/nfs/dbraw/zinc/84/88/34/614848834.db2.gz	QAVUJBYTCAKUQV-UHFFFAOYSA-N	-1	2	289.343	0.898	20	0		CCADLM
CCC[C@@](C)(NC(=O)[O-])C(=O)NCCCc1n[nH]c(=O)[nH]1	ZINC000826720062	615028754	/nfs/dbraw/zinc/02/87/54/615028754.db2.gz	DRQLACQTNKWORP-GFCCVEGCSA-N	-1	2	299.331	0.386	20	0		CCADLM
CC[C@H](C)[C@H](NC(=O)C[C@@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC000820432341	615692418	/nfs/dbraw/zinc/69/24/18/615692418.db2.gz	NWRBLVHPJIYEJK-HAFWLYHUSA-N	-1	2	287.341	0.158	20	0		CCADLM
C[N@@H+]1CCO[C@H](CNc2ccc(-c3nn[nH]n3)cc2F)C1	ZINC000736868550	616262695	/nfs/dbraw/zinc/26/26/95/616262695.db2.gz	STHMRVCWSSCWPI-SNVBAGLBSA-N	-1	2	292.318	0.748	20	0		CCADLM
Cc1ncccc1CCNC(=O)N[C@@H](CF)C(=O)[O-]	ZINC000900311010	633987745	/nfs/dbraw/zinc/98/77/45/633987745.db2.gz	PZGWTUMHSNFCAG-JTQLQIEISA-N	-1	2	269.276	0.654	20	0		CCADLM
O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc2ccccc2n1	ZINC000816732307	641205206	/nfs/dbraw/zinc/20/52/06/641205206.db2.gz	BBJVPRDMIXGHDW-UHFFFAOYSA-N	-1	2	271.236	0.621	20	0		CCADLM
CN1C[C@H](Nc2ccc([P@@](=O)([O-])O)cc2)CCC1=O	ZINC001167253240	790748995	/nfs/dbraw/zinc/74/89/95/790748995.db2.gz	MJOVWMPSSUORHH-SNVBAGLBSA-N	-1	2	284.252	0.522	20	0		CCADLM
CN1C[C@H](Nc2ccc([P@](=O)([O-])O)cc2)CCC1=O	ZINC001167253240	790749001	/nfs/dbraw/zinc/74/90/01/790749001.db2.gz	MJOVWMPSSUORHH-SNVBAGLBSA-N	-1	2	284.252	0.522	20	0		CCADLM
C[C@H](CN(C)C(=O)C(=O)c1ccc(O)cc1)c1nn[n-]n1	ZINC001153674766	800651262	/nfs/dbraw/zinc/65/12/62/800651262.db2.gz	DSMHZEWWHIFBMZ-MRVPVSSYSA-N	-1	2	289.295	0.350	20	0		CCADLM
O=C(NCc1n[nH]c(=O)[nH]1)[C@@H]1CCC[N@@H+]1CC1CC1	ZINC001182559342	843853686	/nfs/dbraw/zinc/85/36/86/843853686.db2.gz	HPJCVFRSPLHFPN-VIFPVBQESA-N	-1	2	265.317	0.001	20	0		CCADLM
COCCOc1cc(NCCOP(=O)([O-])[O-])cc[nH+]1	ZINC001168596152	897733022	/nfs/dbraw/zinc/73/30/22/897733022.db2.gz	PPWIUPQXJISIDX-UHFFFAOYSA-N	-1	2	292.228	0.628	20	0		CCADLM
CCc1nc(C[NH2+][C@@H](CC(=O)[O-])C(=O)[O-])cs1	ZINC001339253578	921691973	/nfs/dbraw/zinc/69/19/73/921691973.db2.gz	CJOSHUUWSQWWQC-ZETCQYMHSA-N	-1	2	258.299	0.723	20	0		CCADLM
CC[C@@H](C[N@H+](C)CCNC(=O)c1n[nH]c(C)c1[O-])OC	ZINC001403549181	917803426	/nfs/dbraw/zinc/80/34/26/917803426.db2.gz	YCFOFSOKURYNKJ-JTQLQIEISA-N	-1	2	284.360	0.510	20	0		CCADLM
O=C([O-])[C@@H]1CCCCCN1C(=O)CCc1ncn[nH]1	ZINC001333346431	918823426	/nfs/dbraw/zinc/82/34/26/918823426.db2.gz	CVLSRSPVYLJEFO-VIFPVBQESA-N	-1	2	266.301	0.593	20	0		CCADLM
C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC[C@H](c2nn[nH]n2)C1	ZINC001363293890	929085882	/nfs/dbraw/zinc/08/58/82/929085882.db2.gz	ZLVQYLSOFIOSJN-YUMQZZPRSA-N	-1	2	275.320	0.072	20	0		CCADLM
C[C@@H](c1nnnn1C1CC1)[N@H+]1CC[C@H](c2nn[nH]n2)C1	ZINC001363293890	929085892	/nfs/dbraw/zinc/08/58/92/929085892.db2.gz	ZLVQYLSOFIOSJN-YUMQZZPRSA-N	-1	2	275.320	0.072	20	0		CCADLM
C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@H](c2nn[nH]n2)C1	ZINC001363293876	929086608	/nfs/dbraw/zinc/08/66/08/929086608.db2.gz	ZLVQYLSOFIOSJN-JGVFFNPUSA-N	-1	2	275.320	0.072	20	0		CCADLM
C[C@@H](c1nnnn1C1CC1)[N@H+]1CC[C@@H](c2nn[nH]n2)C1	ZINC001363293876	929086611	/nfs/dbraw/zinc/08/66/11/929086611.db2.gz	ZLVQYLSOFIOSJN-JGVFFNPUSA-N	-1	2	275.320	0.072	20	0		CCADLM
CCc1nocc1C[N@H+](CCC(=O)[O-])CC(=O)[O-]	ZINC001597757020	989178800	/nfs/dbraw/zinc/17/88/00/989178800.db2.gz	VQZOBDFOQDJHQB-UHFFFAOYSA-N	-1	2	256.258	0.598	20	0		CCADLM
CCc1nocc1C[N@@H+](CCC(=O)[O-])CC(=O)[O-]	ZINC001597757020	989178804	/nfs/dbraw/zinc/17/88/04/989178804.db2.gz	VQZOBDFOQDJHQB-UHFFFAOYSA-N	-1	2	256.258	0.598	20	0		CCADLM
C[C@]1(C(=O)[O-])CCCN(C(=O)C[C@H]2SC(=N)NC2=O)C1	ZINC001593766617	996447182	/nfs/dbraw/zinc/44/71/82/996447182.db2.gz	RGAWFAWWVXYOIE-KRTXAFLBSA-N	-1	2	299.352	0.256	20	0		CCADLM
COc1cccc(S([O-])=CC(=O)N[C@H]2C[C@@H](CO)C2)c1	ZINC000601712916	362361415	/nfs/dbraw/zinc/36/14/15/362361415.db2.gz	GRQDIDIAKOHIID-JHTDMNASSA-N	-1	2	297.376	0.690	20	0		CCADLM
COc1ccc(=NC(=O)N(C)CCSC)[n-]n1	ZINC000346681736	137298801	/nfs/dbraw/zinc/29/88/01/137298801.db2.gz	LBQIYXNPEWCRFP-UHFFFAOYSA-N	-1	2	256.331	0.734	20	0		CCADLM
CS[C@H](CO)[C@H](C)NC(=O)c1cccc2[nH]nnc21	ZINC000163670245	350769660	/nfs/dbraw/zinc/76/96/60/350769660.db2.gz	UKRQHMGRSGEPHJ-OIBJUYFYSA-N	-1	2	280.353	0.800	20	0		CCADLM
CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)n1	ZINC000176806460	351185409	/nfs/dbraw/zinc/18/54/09/351185409.db2.gz	VZZYVAXKIUABAX-LBPRGKRZSA-N	-1	2	290.367	0.988	20	0		CCADLM
C[C@@H](NC(=O)C1=NN(c2ccccc2)CC1=O)C(=O)[O-]	ZINC000237371016	352262086	/nfs/dbraw/zinc/26/20/86/352262086.db2.gz	MSMCYBTWZHVYDI-MRVPVSSYSA-N	-1	2	275.264	0.781	20	0		CCADLM
Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](OCCO)C2)on1	ZINC000246962095	352390663	/nfs/dbraw/zinc/39/06/63/352390663.db2.gz	YVHPIKUJVBPSJG-VXGBXAGGSA-N	-1	2	297.355	0.783	20	0		CCADLM
CC[N@H+]1CCC[C@H](NS(=O)(=O)c2c(C)onc2N)C1	ZINC000329849973	354264125	/nfs/dbraw/zinc/26/41/25/354264125.db2.gz	QBHYKRKGYLWJHE-VIFPVBQESA-N	-1	2	288.373	0.158	20	0		CCADLM
CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(C)o[nH]c2=N)C1	ZINC000329849973	354264129	/nfs/dbraw/zinc/26/41/29/354264129.db2.gz	QBHYKRKGYLWJHE-VIFPVBQESA-N	-1	2	288.373	0.158	20	0		CCADLM
O=C(Nc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC(F)(F)C[NH2+]1	ZINC000360829734	138012876	/nfs/dbraw/zinc/01/28/76/138012876.db2.gz	CAXJECDYWPDOCP-SECBINFHSA-N	-1	2	294.265	0.802	20	0		CCADLM
CO[C@]1(C)C[C@@H]([N@H+](C)Cc2nc(=O)n(C)[nH]2)C1(C)C	ZINC000408151956	357942274	/nfs/dbraw/zinc/94/22/74/357942274.db2.gz	YWHFDXLXPXVLMV-NOZJJQNGSA-N	-1	2	268.361	0.744	20	0		CCADLM
CC1(C)C[NH+](CC(=O)Nc2nn[nH]n2)CC(C)(C)C1	ZINC000563223859	291207483	/nfs/dbraw/zinc/20/74/83/291207483.db2.gz	YBQYTRYKESKSTK-UHFFFAOYSA-N	-1	2	266.349	0.896	20	0		CCADLM
CC(C)c1n[nH]c(=NCCn2cc(C(=O)[O-])nn2)s1	ZINC000566622497	291427672	/nfs/dbraw/zinc/42/76/72/291427672.db2.gz	VNQVGPVNCGQCSS-UHFFFAOYSA-N	-1	2	282.329	0.485	20	0		CCADLM
Cc1o[nH]c(=N)c1S(=O)(=O)N(C)[C@@H]1CCC[N@@H+](C)C1	ZINC000333501586	205379273	/nfs/dbraw/zinc/37/92/73/205379273.db2.gz	WFXRCRSGYSVUOP-SECBINFHSA-N	-1	2	288.373	0.110	20	0		CCADLM
CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(O)cc(F)c2)C1	ZINC000375218415	389650411	/nfs/dbraw/zinc/65/04/11/389650411.db2.gz	QNGPFCSGSCFOLI-LBPRGKRZSA-N	-1	2	288.344	0.655	20	0		CCADLM
C[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)C[C@@H]1CCC[C@H]1O	ZINC000535871154	390155298	/nfs/dbraw/zinc/15/52/98/390155298.db2.gz	PLWBJTIGKCLWFD-CMPLNLGQSA-N	-1	2	276.340	0.615	20	0		CCADLM
COCC[C@@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-]	ZINC000547878931	285985804	/nfs/dbraw/zinc/98/58/04/285985804.db2.gz	ACIAPCFTLJNRDE-NTSWFWBYSA-N	-1	2	293.263	0.346	20	0		CCADLM
O=C([O-])CCNc1cc(NCCC(=O)[O-])[nH+]cn1	ZINC000662878103	414865834	/nfs/dbraw/zinc/86/58/34/414865834.db2.gz	MIEUSGNXHLXYIT-UHFFFAOYSA-N	-1	2	254.246	0.250	20	0		CCADLM
O=C([O-])c1cccc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)[nH+]1	ZINC000662896875	414875460	/nfs/dbraw/zinc/87/54/60/414875460.db2.gz	QDDBJXSTYMPONP-VDAHYXPESA-N	-1	2	266.253	0.416	20	0		CCADLM
CN(C(=O)c1cccc(O)c1)[C@H]1CC[N@H+]2CCO[C@H]1C2	ZINC000295990341	581269460	/nfs/dbraw/zinc/26/94/60/581269460.db2.gz	QUPSWGXGZSXEOL-KBPBESRZSA-N	-1	2	276.336	0.937	20	0		CCADLM
O=C([O-])Cn1ccc(NS(=O)(=O)c2cccc(F)c2)n1	ZINC000739921591	581635137	/nfs/dbraw/zinc/63/51/37/581635137.db2.gz	VOXJCOGWHQLGLU-UHFFFAOYSA-N	-1	2	299.283	0.908	20	0		CCADLM
O=C(c1cccc2cn[nH]c21)N1CCO[C@@H](c2nn[nH]n2)C1	ZINC000731854337	581783300	/nfs/dbraw/zinc/78/33/00/581783300.db2.gz	YWQDVAQRRDKOEL-SNVBAGLBSA-N	-1	2	299.294	0.290	20	0		CCADLM
O=C(OCc1n[nH]c(=O)[n-]1)c1cc(F)c(O)c(F)c1	ZINC000759539649	581804272	/nfs/dbraw/zinc/80/42/72/581804272.db2.gz	KKTADHYGMXEQRU-UHFFFAOYSA-N	-1	2	271.179	0.851	20	0		CCADLM
O=C([O-])CCCNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1	ZINC000738576676	582064020	/nfs/dbraw/zinc/06/40/20/582064020.db2.gz	VQLCFGCOWIHQQF-UHFFFAOYSA-N	-1	2	291.263	0.625	20	0		CCADLM
N=C1NC(=O)[C@@H](CC(=O)N2CCCC[C@H]2C(=O)[O-])S1	ZINC000821357143	600867749	/nfs/dbraw/zinc/86/77/49/600867749.db2.gz	JUMXTHFQDRMTLO-NKWVEPMBSA-N	-1	2	285.325	0.009	20	0		CCADLM
Cc1n[nH]c(NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)n1	ZINC000830770282	603660430	/nfs/dbraw/zinc/66/04/30/603660430.db2.gz	PSAARSNNNNOUPI-RNFRBKRXSA-N	-1	2	253.262	0.488	20	0		CCADLM
Cc1n[nH]c(SCC(=O)N[C@H]2CCCN(C(=O)[O-])C2)n1	ZINC000830680115	603799530	/nfs/dbraw/zinc/79/95/30/603799530.db2.gz	ZTIGKGSLUQXQEV-QMMMGPOBSA-N	-1	2	299.356	0.464	20	0		CCADLM
O=C([O-])N1CCCC[C@H]1C(=O)OCc1n[nH]c(=O)[nH]1	ZINC000834285992	605955380	/nfs/dbraw/zinc/95/53/80/605955380.db2.gz	MGFYFHCSIJVRLW-LURJTMIESA-N	-1	2	270.245	0.086	20	0		CCADLM
CC(C)[C@@H](NS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-]	ZINC000841774153	614129521	/nfs/dbraw/zinc/12/95/21/614129521.db2.gz	BHEXVNLEDRGBCE-PHDIDXHHSA-N	-1	2	277.264	0.966	20	0		CCADLM
CC(C)c1ccoc1C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000820288350	614314436	/nfs/dbraw/zinc/31/44/36/614314436.db2.gz	JCZKLCJVUNRTMC-UHFFFAOYSA-N	-1	2	252.230	0.790	20	0		CCADLM
CCC[C@](C)(NC(=O)C[C@@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC000829193652	614447119	/nfs/dbraw/zinc/44/71/19/614447119.db2.gz	CHBMBDVXLWYDTD-KGFZYKRKSA-N	-1	2	287.341	0.302	20	0		CCADLM
CCC(CC)(NC(=O)C[C@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC000828824232	614528454	/nfs/dbraw/zinc/52/84/54/614528454.db2.gz	CDGIIYBYZBATCC-ZCFIWIBFSA-N	-1	2	287.341	0.302	20	0		CCADLM
Cn1cnc(CNC(=O)N[C@@H](CC2CC2)C(=O)[O-])c1	ZINC000900308962	633987898	/nfs/dbraw/zinc/98/78/98/633987898.db2.gz	RQKZYUQGDBJKCP-JTQLQIEISA-N	-1	2	266.301	0.473	20	0		CCADLM
CC[C@@H](C)N(CC(=O)[O-])C(=O)NCc1cn(C)cn1	ZINC000900308917	633987955	/nfs/dbraw/zinc/98/79/55/633987955.db2.gz	QTGDDCQSVLDIEI-SECBINFHSA-N	-1	2	268.317	0.815	20	0		CCADLM
C[C@H](CN(C(=O)C[C@@H]1SC(=N)NC1=O)C1CC1)C(=O)[O-]	ZINC000827433040	642006018	/nfs/dbraw/zinc/00/60/18/642006018.db2.gz	TZRHJHKKLFLKRP-SVRRBLITSA-N	-1	2	299.352	0.255	20	0		CCADLM
O=C(Cc1c[nH]c2ncccc12)N1CC[C@H](c2nnn[n-]2)C1	ZINC001153001307	800579686	/nfs/dbraw/zinc/57/96/86/800579686.db2.gz	KCPROSWYFNRSMH-VIFPVBQESA-N	-1	2	297.322	0.635	20	0		CCADLM
O=C(Cc1c[nH]c2ncccc12)N1CC[C@H](c2nn[n-]n2)C1	ZINC001153001307	800579696	/nfs/dbraw/zinc/57/96/96/800579696.db2.gz	KCPROSWYFNRSMH-VIFPVBQESA-N	-1	2	297.322	0.635	20	0		CCADLM
c1ccc(C[N@H+]2CCOC[C@H](OCc3nn[nH]n3)C2)cc1	ZINC001223026558	804947872	/nfs/dbraw/zinc/94/78/72/804947872.db2.gz	AZRPLHYGKNLIMR-CYBMUJFWSA-N	-1	2	289.339	0.617	20	0		CCADLM
c1ccc(C[N@@H+]2CCOC[C@H](OCc3nn[nH]n3)C2)cc1	ZINC001223026558	804947875	/nfs/dbraw/zinc/94/78/75/804947875.db2.gz	AZRPLHYGKNLIMR-CYBMUJFWSA-N	-1	2	289.339	0.617	20	0		CCADLM
Cn1cncc1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC001260392916	808860070	/nfs/dbraw/zinc/86/00/70/808860070.db2.gz	UZWQYKSJTUSFNY-UHFFFAOYSA-N	-1	2	297.292	0.625	20	0		CCADLM
C[NH+](C)Cc1cc(C(=O)NCCCc2cc(=O)[nH][nH]2)no1	ZINC001261741881	809072683	/nfs/dbraw/zinc/07/26/83/809072683.db2.gz	FBUFDLGSNWRWDJ-UHFFFAOYSA-N	-1	2	293.327	0.122	20	0		CCADLM
O=C(N[C@H]1SC(=O)NC1=O)c1c(F)ccc(F)c1[O-]	ZINC001192716166	845901386	/nfs/dbraw/zinc/90/13/86/845901386.db2.gz	IKRFLRKVXVOGHY-VIFPVBQESA-N	-1	2	288.231	0.709	20	0		CCADLM
C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(=O)[nH]c3Cl)C[C@@H]21	ZINC001274272079	848435494	/nfs/dbraw/zinc/43/54/94/848435494.db2.gz	DSQLEAKHYATXCQ-UWVGGRQHSA-N	-1	2	297.742	0.596	20	0		CCADLM
C[C@](Cn1cccn1)(NC(=O)C(F)(F)F)C(=O)[O-]	ZINC001592918722	979908431	/nfs/dbraw/zinc/90/84/31/979908431.db2.gz	PNIQOSHHULYFBC-MRVPVSSYSA-N	-1	2	265.191	0.405	20	0		CCADLM
CC(=O)N[C@H]1C[C@H](Nc2ccc([P@@](=O)([O-])O)cc2)C1	ZINC001170584404	899823028	/nfs/dbraw/zinc/82/30/28/899823028.db2.gz	RVYMYHZMNCZTSJ-XYPYZODXSA-N	-1	2	284.252	0.569	20	0		CCADLM
CC(=O)N[C@H]1C[C@H](Nc2ccc([P@](=O)([O-])O)cc2)C1	ZINC001170584404	899823037	/nfs/dbraw/zinc/82/30/37/899823037.db2.gz	RVYMYHZMNCZTSJ-XYPYZODXSA-N	-1	2	284.252	0.569	20	0		CCADLM
CCOC(=O)C(C)(C)O[N-]C(=O)C1=NNC(C)C1=O	ZINC001328309435	915096041	/nfs/dbraw/zinc/09/60/41/915096041.db2.gz	MHQFBSXPKCTNAG-UHFFFAOYSA-N	-1	2	271.273	0.427	20	0		CCADLM
C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@H](c2nn[nH]n2)C1	ZINC001363293871	929086102	/nfs/dbraw/zinc/08/61/02/929086102.db2.gz	ZLVQYLSOFIOSJN-HTQZYQBOSA-N	-1	2	275.320	0.072	20	0		CCADLM
C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@@H](c2nn[nH]n2)C1	ZINC001363293871	929086119	/nfs/dbraw/zinc/08/61/19/929086119.db2.gz	ZLVQYLSOFIOSJN-HTQZYQBOSA-N	-1	2	275.320	0.072	20	0		CCADLM
CC(C)[C@H](C(=O)[O-])C(=O)NOCCN1CCCC1=O	ZINC001588807627	961482365	/nfs/dbraw/zinc/48/23/65/961482365.db2.gz	CVTGRCYLTXZENS-JTQLQIEISA-N	-1	2	272.301	0.013	20	0		CCADLM
Cc1cccc([C@H](NCc2n[nH]c(=O)[nH]2)C(=O)[O-])c1	ZINC001605328862	973189665	/nfs/dbraw/zinc/18/96/65/973189665.db2.gz	FJBMELCQOQPHIY-JTQLQIEISA-N	-1	2	262.269	0.734	20	0		CCADLM
C[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1cc(C(=O)[O-])no1	ZINC001599906773	984933407	/nfs/dbraw/zinc/93/34/07/984933407.db2.gz	JKTCZCWENSHDHA-RCOVLWMOSA-N	-1	2	254.242	0.810	20	0		CCADLM
C[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1cc(C(=O)[O-])no1	ZINC001599906773	984933412	/nfs/dbraw/zinc/93/34/12/984933412.db2.gz	JKTCZCWENSHDHA-RCOVLWMOSA-N	-1	2	254.242	0.810	20	0		CCADLM
C[C@@H](C(=O)[O-])N(C(=O)CCc1ncn[nH]1)C1CCC1	ZINC001589471858	986964532	/nfs/dbraw/zinc/96/45/32/986964532.db2.gz	LDTMSZDXXMFZTO-QMMMGPOBSA-N	-1	2	266.301	0.592	20	0		CCADLM
COCCCCS(=O)(=O)c1nc(C(=O)[O-])c[nH]1	ZINC001599223310	997709638	/nfs/dbraw/zinc/70/96/38/997709638.db2.gz	OEOHBEXFXVTEIZ-UHFFFAOYSA-N	-1	2	262.287	0.308	20	0		CCADLM
C[C@H]1C[C@H](C(=O)[O-])CN(c2cc[nH+]c(C(=O)[O-])n2)C1	ZINC001594209040	998808458	/nfs/dbraw/zinc/80/84/58/998808458.db2.gz	BMGHALGPNABGHL-YUMQZZPRSA-N	-1	2	265.269	0.722	20	0		CCADLM
Cn1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cn1	ZINC000036983423	348177269	/nfs/dbraw/zinc/17/72/69/348177269.db2.gz	VXUOJXAOVANKNK-UHFFFAOYSA-N	-1	2	281.293	0.919	20	0		CCADLM
O=C([O-])c1ccc(NS(=O)(=O)c2cn[nH]c2)cc1	ZINC000037731488	348199867	/nfs/dbraw/zinc/19/98/67/348199867.db2.gz	QWYOSHZMKIFYFB-UHFFFAOYSA-N	-1	2	267.266	0.909	20	0		CCADLM
O=C(NCCc1nc(=O)o[n-]1)c1c(O)cc(F)cc1F	ZINC000684063956	545606938	/nfs/dbraw/zinc/60/69/38/545606938.db2.gz	JCZWKNLODZKAGD-UHFFFAOYSA-N	-1	2	285.206	0.319	20	0		CCADLM
COC[C@]1(C(=O)[O-])CCN(c2cccc(C(=O)[O-])[nH+]2)C1	ZINC000634965662	372317413	/nfs/dbraw/zinc/31/74/13/372317413.db2.gz	QFEDDLDBGIURLD-ZDUSSCGKSA-N	-1	2	280.280	0.707	20	0		CCADLM
COC[C@@]1(C(=O)[O-])CCN(c2ccc(C(=O)[O-])c[nH+]2)C1	ZINC000634965602	372317983	/nfs/dbraw/zinc/31/79/83/372317983.db2.gz	OQIYRQWMRLKKAP-CYBMUJFWSA-N	-1	2	280.280	0.707	20	0		CCADLM
Cc1n[n-]c(=NC(=O)c2cc(C(F)F)n[nH]2)n1C	ZINC000640111903	376242599	/nfs/dbraw/zinc/24/25/99/376242599.db2.gz	AKHNJULMHFKZRW-UHFFFAOYSA-N	-1	2	256.216	0.458	20	0		CCADLM
C[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1cncc(O)c1	ZINC000520837796	285276894	/nfs/dbraw/zinc/27/68/94/285276894.db2.gz	HQBLLWKXOCOSFK-LLVKDONJSA-N	-1	2	279.340	0.167	20	0		CCADLM
Cc1cc(F)ccc1C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1	ZINC000334356183	389471653	/nfs/dbraw/zinc/47/16/53/389471653.db2.gz	MPGVLJTULMBQEC-LBPRGKRZSA-N	-1	2	277.299	0.870	20	0		CCADLM
CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1cccc2[nH]nnc21	ZINC000182748517	389716258	/nfs/dbraw/zinc/71/62/58/389716258.db2.gz	ZGMXQSUOOZWXSV-IUCAKERBSA-N	-1	2	289.339	0.991	20	0		CCADLM
COCCN1CCC[N@@H+](Cc2ncccc2O)CC1=O	ZINC000579041219	390137442	/nfs/dbraw/zinc/13/74/42/390137442.db2.gz	IBJALKDCZOIFGA-UHFFFAOYSA-N	-1	2	279.340	0.468	20	0		CCADLM
CCN(C(=O)NC[C@](C)(CC(=O)O)C(=O)[O-])C(C)C	ZINC000547934534	390409499	/nfs/dbraw/zinc/40/94/99/390409499.db2.gz	QQDZTEQGBJFSAZ-LBPRGKRZSA-N	-1	2	274.317	0.992	20	0		CCADLM
COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)CC(F)(F)F	ZINC000566853269	390653429	/nfs/dbraw/zinc/65/34/29/390653429.db2.gz	JAJFGTLAARRSFO-SSDOTTSWSA-N	-1	2	293.263	0.348	20	0		CCADLM
CC[C@H](NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(=O)[O-]	ZINC000647253977	390798169	/nfs/dbraw/zinc/79/81/69/390798169.db2.gz	HWADRNFTTFWZCV-ZETCQYMHSA-N	-1	2	292.251	0.029	20	0		CCADLM
CC(C)(C)n1cnc(=NC(=O)NC2(CC(=O)[O-])CCC2)[nH]1	ZINC000649542691	397631399	/nfs/dbraw/zinc/63/13/99/397631399.db2.gz	MKISPPDYGIDCDG-UHFFFAOYSA-N	-1	2	295.343	0.974	20	0		CCADLM
Cc1nc(=N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)s[nH]1	ZINC000416446469	302546926	/nfs/dbraw/zinc/54/69/26/302546926.db2.gz	PIMOPQZRFFGQFE-RKDXNWHRSA-N	-1	2	298.368	0.390	20	0		CCADLM
O=c1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)nc(C2CC2)[nH]1	ZINC000576243809	335177197	/nfs/dbraw/zinc/17/71/97/335177197.db2.gz	AWKGONHTCGWRQU-TXEJJXNPSA-N	-1	2	277.324	0.659	20	0		CCADLM
C[C@H]1CN(Cc2cc(=O)n3[nH]ccc3n2)CCN1C(=O)[O-]	ZINC000739185695	581520093	/nfs/dbraw/zinc/52/00/93/581520093.db2.gz	QLWOOGPDCHMRKF-VIFPVBQESA-N	-1	2	291.311	0.207	20	0		CCADLM
O=C([O-])NCCNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1	ZINC000740658422	581537885	/nfs/dbraw/zinc/53/78/85/581537885.db2.gz	IETWLAGWBGBUIF-UHFFFAOYSA-N	-1	2	292.251	0.027	20	0		CCADLM
CN(CC(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1)C(=O)[O-]	ZINC000739627412	581583764	/nfs/dbraw/zinc/58/37/64/581583764.db2.gz	NYLHVTBZRPQUDY-UHFFFAOYSA-N	-1	2	292.251	0.578	20	0		CCADLM
O=C([O-])Cn1ccc(NS(=O)(=O)c2ccccc2)n1	ZINC000739921577	581635257	/nfs/dbraw/zinc/63/52/57/581635257.db2.gz	VGZNUJCJRVZONL-UHFFFAOYSA-N	-1	2	281.293	0.769	20	0		CCADLM
O=C([O-])[C@@H]1CN(C(=O)c2cccc(Cl)c2O)CCO1	ZINC000821512137	598183631	/nfs/dbraw/zinc/18/36/31/598183631.db2.gz	BBPCQXYECLHIQV-VIFPVBQESA-N	-1	2	285.683	0.971	20	0		CCADLM
O=C([O-])c1ccc(NCCCc2n[nH]c(=O)[nH]2)nn1	ZINC000833320881	601446356	/nfs/dbraw/zinc/44/63/56/601446356.db2.gz	WSGFMSJMJHWCGI-UHFFFAOYSA-N	-1	2	264.245	0.043	20	0		CCADLM
O=C([O-])c1nscc1NS(=O)(=O)C[C@@H]1CCCO1	ZINC000833347276	602201873	/nfs/dbraw/zinc/20/18/73/602201873.db2.gz	WSYABIGWOCOITQ-LURJTMIESA-N	-1	2	292.338	0.762	20	0		CCADLM
O=C(CCC1CCN(C(=O)[O-])CC1)OCc1n[nH]c(=O)[nH]1	ZINC000833992101	605956463	/nfs/dbraw/zinc/95/64/63/605956463.db2.gz	UCTXGBXBCUJFGZ-UHFFFAOYSA-N	-1	2	298.299	0.724	20	0		CCADLM
NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(-c2nn[nH]n2)cs1	ZINC000826389834	608501235	/nfs/dbraw/zinc/50/12/35/608501235.db2.gz	JLTLIFTUMYUVSI-JTQLQIEISA-N	-1	2	292.368	0.768	20	0		CCADLM
NC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(-c2nn[nH]n2)cs1	ZINC000826389834	608501236	/nfs/dbraw/zinc/50/12/36/608501236.db2.gz	JLTLIFTUMYUVSI-JTQLQIEISA-N	-1	2	292.368	0.768	20	0		CCADLM
CC[C@@](C)(CC(=O)[O-])NC(=O)C[C@H]1SC(=N)NC1=O	ZINC000828617613	615588136	/nfs/dbraw/zinc/58/81/36/615588136.db2.gz	HPWCAJQKHVSSPU-KBUNVGBDSA-N	-1	2	287.341	0.302	20	0		CCADLM
CCn1cc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)cn1	ZINC000833682331	616008037	/nfs/dbraw/zinc/00/80/37/616008037.db2.gz	RNVVCALNWVDWME-UHFFFAOYSA-N	-1	2	296.308	0.797	20	0		CCADLM
C[C@H](C(=O)[O-])N(C(=O)NCc1cn(C)cn1)C1CCC1	ZINC000900308463	633987863	/nfs/dbraw/zinc/98/78/63/633987863.db2.gz	IOBDLDSBHQEXAN-SECBINFHSA-N	-1	2	280.328	0.957	20	0		CCADLM
Cc1nc2c(c(=O)[nH]1)C[N@H+]([C@H](C)CN1CCOCC1)C2	ZINC000931314951	648978092	/nfs/dbraw/zinc/97/80/92/648978092.db2.gz	JQWCDUDCTFVFKR-SNVBAGLBSA-N	-1	2	278.356	0.527	20	0		CCADLM
O=[P@]([O-])(O)c1ccc(NCC2(O)CCOCC2)cc1	ZINC001167555684	791534753	/nfs/dbraw/zinc/53/47/53/791534753.db2.gz	NEIDRODMHQGDIU-UHFFFAOYSA-N	-1	2	287.252	0.443	20	0		CCADLM
O=[P@@]([O-])(O)c1ccc(NCC2(O)CCOCC2)cc1	ZINC001167555684	791534761	/nfs/dbraw/zinc/53/47/61/791534761.db2.gz	NEIDRODMHQGDIU-UHFFFAOYSA-N	-1	2	287.252	0.443	20	0		CCADLM
O=C(c1cccc2[nH]ncc21)N1CC[C@H](c2nn[n-]n2)C1	ZINC001153001671	800580017	/nfs/dbraw/zinc/58/00/17/800580017.db2.gz	MIPVZVVMAXPWPJ-QMMMGPOBSA-N	-1	2	283.295	0.706	20	0		CCADLM
Cc1ccc2ncc(O)c(C(=O)NCc3nn[n-]n3)c2c1	ZINC001154533478	800795815	/nfs/dbraw/zinc/79/58/15/800795815.db2.gz	GNZDBZKBFVNJDM-UHFFFAOYSA-N	-1	2	284.279	0.692	20	0		CCADLM
[NH3+][C@@H](Cc1nn[nH]n1)c1nnc(-c2ccc3c(c2)CCC3)o1	ZINC001217694492	803900849	/nfs/dbraw/zinc/90/08/49/803900849.db2.gz	ZYTPJCBWTFMQCS-NSHDSACASA-N	-1	2	297.322	0.981	20	0		CCADLM
O=C([N-]c1n[nH]c(C(F)(F)F)n1)c1csnn1	ZINC000353312276	808637227	/nfs/dbraw/zinc/63/72/27/808637227.db2.gz	GYFDBAHCSCOBDP-UHFFFAOYSA-N	-1	2	264.192	0.927	20	0		CCADLM
CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@H](c2nn[nH]n2)C1	ZINC001197297557	846888974	/nfs/dbraw/zinc/88/89/74/846888974.db2.gz	QBGIYGWDMTYZLC-DTWKUNHWSA-N	-1	2	253.306	0.331	20	0		CCADLM
O=C([O-])CC[C@H]1CCCN(C(=O)CCc2cnn[nH]2)C1	ZINC000901573794	851754275	/nfs/dbraw/zinc/75/42/75/851754275.db2.gz	SEOXABJDPIBQDO-SNVBAGLBSA-N	-1	2	280.328	0.841	20	0		CCADLM
C[C@H](CNC(=O)CC1CCCC1)[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001480418714	925656555	/nfs/dbraw/zinc/65/65/55/925656555.db2.gz	PODYSFXQCBQNKO-SNVBAGLBSA-N	-1	2	295.387	0.283	20	0		CCADLM
O=C([O-])CCCCC(=O)Nc1nn[nH]c1C(=O)NC1CC1	ZINC001595035059	951397939	/nfs/dbraw/zinc/39/79/39/951397939.db2.gz	UKFYNDBFPLGUBY-UHFFFAOYSA-N	-1	2	295.299	0.280	20	0		CCADLM
O=C([O-])CC1(CC(=O)NCc2n[nH]c(=O)[nH]2)CCCC1	ZINC000392366191	972476377	/nfs/dbraw/zinc/47/63/77/972476377.db2.gz	NLKQNDGKOHBFHF-UHFFFAOYSA-N	-1	2	282.300	0.552	20	0		CCADLM
C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)C[C@H]1SC(=N)NC1=O	ZINC001574268339	960606188	/nfs/dbraw/zinc/60/61/88/960606188.db2.gz	NHANBZJMXQQBDU-FSDSQADBSA-N	-1	2	285.325	0.007	20	0		CCADLM
COC[C@]1(C(=O)[O-])CCN(C(=O)C(F)C(F)(F)F)C1	ZINC001604523505	973471981	/nfs/dbraw/zinc/47/19/81/973471981.db2.gz	RHVLAXOWKFFIFL-MUWHJKNJSA-N	-1	2	287.209	0.837	20	0		CCADLM
COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H](F)C(F)(F)F)C1	ZINC001604523505	973471986	/nfs/dbraw/zinc/47/19/86/973471986.db2.gz	RHVLAXOWKFFIFL-MUWHJKNJSA-N	-1	2	287.209	0.837	20	0		CCADLM
COc1cccc(C[N@H+](CCC(=O)[O-])CC(=O)[O-])n1	ZINC001599670843	994808163	/nfs/dbraw/zinc/80/81/63/994808163.db2.gz	NHCXBQLEIBPFCF-UHFFFAOYSA-N	-1	2	268.269	0.452	20	0		CCADLM
COc1cccc(C[N@@H+](CCC(=O)[O-])CC(=O)[O-])n1	ZINC001599670843	994808170	/nfs/dbraw/zinc/80/81/70/994808170.db2.gz	NHCXBQLEIBPFCF-UHFFFAOYSA-N	-1	2	268.269	0.452	20	0		CCADLM
C[C@@H](c1cnccn1)[N@H+](CCC(=O)[O-])CC(=O)[O-]	ZINC001593724277	996264354	/nfs/dbraw/zinc/26/43/54/996264354.db2.gz	JEHCLNYMLWJSTO-QMMMGPOBSA-N	-1	2	253.258	0.399	20	0		CCADLM
C[C@@H](c1cnccn1)[N@@H+](CCC(=O)[O-])CC(=O)[O-]	ZINC001593724277	996264360	/nfs/dbraw/zinc/26/43/60/996264360.db2.gz	JEHCLNYMLWJSTO-QMMMGPOBSA-N	-1	2	253.258	0.399	20	0		CCADLM
COc1c(NCCCc2n[nH]c(=O)[nH]2)ncnc1C(=O)[O-]	ZINC001599344783	997983048	/nfs/dbraw/zinc/98/30/48/997983048.db2.gz	NJGDUODBEIAVNJ-UHFFFAOYSA-N	-1	2	294.271	0.052	20	0		CCADLM
N=c1[n-]nc(CCNC(=O)Nc2cccc(F)c2)o1	ZINC000346644055	137296254	/nfs/dbraw/zinc/29/62/54/137296254.db2.gz	OGUXZTZTQAUMFR-UHFFFAOYSA-N	-1	2	265.248	0.985	20	0		CCADLM
C[C@@H]1CN(CCO)[C@@H](C)C[N@@H+]1Cc1ncccc1O	ZINC000557201065	291026262	/nfs/dbraw/zinc/02/62/62/291026262.db2.gz	LYCFGHRCSCWBPZ-NWDGAFQWSA-N	-1	2	265.357	0.674	20	0		CCADLM
O=S(=O)(NCC[N@H+]1CC=CCC1)c1cncc(F)c1	ZINC000530483440	358402880	/nfs/dbraw/zinc/40/28/80/358402880.db2.gz	JGNZFVMJYKJFAJ-UHFFFAOYSA-N	-1	2	285.344	0.761	20	0		CCADLM
CO[C@H](C)c1nsc(NCCn2cc(C(=O)[O-])nn2)n1	ZINC000380247355	389763657	/nfs/dbraw/zinc/76/36/57/389763657.db2.gz	NLASUDJGLCCUIM-ZCFIWIBFSA-N	-1	2	298.328	0.069	20	0		CCADLM
O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cncnc2)c1	ZINC000436697687	389983035	/nfs/dbraw/zinc/98/30/35/389983035.db2.gz	MFNRUYOUCUZQRP-UHFFFAOYSA-N	-1	2	295.276	0.681	20	0		CCADLM
CC(C)(C)c1nc(=NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)s[nH]1	ZINC000582122032	390262698	/nfs/dbraw/zinc/26/26/98/390262698.db2.gz	WLRQQUQTNPEQMX-NKWVEPMBSA-N	-1	2	299.352	0.828	20	0		CCADLM
O=C([O-])c1ccc(N2CCO[C@@H](C(=O)[O-])C2)[nH+]c1	ZINC000647447845	390816874	/nfs/dbraw/zinc/81/68/74/390816874.db2.gz	BHUFHSLNMDIRCW-MRVPVSSYSA-N	-1	2	252.226	0.070	20	0		CCADLM
O=C([O-])c1cc(NCCCc2n[nH]c(=O)[n-]2)cc[nH+]1	ZINC000650767252	397757243	/nfs/dbraw/zinc/75/72/43/397757243.db2.gz	NTGHOBMYLJDMIZ-UHFFFAOYSA-N	-1	2	263.257	0.648	20	0		CCADLM
CCn1cc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cn1	ZINC000035239282	172077138	/nfs/dbraw/zinc/07/71/38/172077138.db2.gz	NASUWPANXNIKMF-UHFFFAOYSA-N	-1	2	298.324	0.741	20	0		CCADLM
O=C([O-])[C@@]1(NC(=O)c2cc(F)c(O)c(F)c2)CCOC1	ZINC000663130616	415000333	/nfs/dbraw/zinc/00/03/33/415000333.db2.gz	KUJYUCNUUIPVMG-GFCCVEGCSA-N	-1	2	287.218	0.644	20	0		CCADLM
O=C(C[NH2+]C[C@H]1CCCO1)N=c1cc([C@@H]2CCCO2)[nH][nH]1	ZINC000577176236	335316138	/nfs/dbraw/zinc/31/61/38/335316138.db2.gz	QGOBIRNSUWWWKB-PWSUYJOCSA-N	-1	2	294.355	0.390	20	0		CCADLM
Cn1nncc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1	ZINC000682832747	545491113	/nfs/dbraw/zinc/49/11/13/545491113.db2.gz	HGYQENDLKCOEFP-UHFFFAOYSA-N	-1	2	298.280	0.020	20	0		CCADLM
N=C1NC(=O)[C@@H](CC(=O)NCc2ccc(C(=O)[O-])o2)S1	ZINC000833089301	600886591	/nfs/dbraw/zinc/88/65/91/600886591.db2.gz	MEAYRFWSHCETDP-SSDOTTSWSA-N	-1	2	297.292	0.150	20	0		CCADLM
O=C([O-])Nc1ccc(NC(=O)NCc2n[nH]c(=O)[nH]2)cc1	ZINC000833290325	601632897	/nfs/dbraw/zinc/63/28/97/601632897.db2.gz	RPKNJAXKSFKGLK-UHFFFAOYSA-N	-1	2	292.255	0.922	20	0		CCADLM
Cc1c(NC(=O)NCc2n[nH]c(=O)[nH]2)cccc1C(=O)[O-]	ZINC000392342540	602363031	/nfs/dbraw/zinc/36/30/31/602363031.db2.gz	DOUJDCQAZJNWSQ-UHFFFAOYSA-N	-1	2	291.267	0.839	20	0		CCADLM
O=C([O-])NC1(C(=O)NCc2n[nH]c(=O)[nH]2)CCCCC1	ZINC000832172486	604058963	/nfs/dbraw/zinc/05/89/63/604058963.db2.gz	KJUFKLPQLIQJQS-UHFFFAOYSA-N	-1	2	283.288	0.097	20	0		CCADLM
C/C(=C/C(=O)NO[C@@H]1CCCCO1)C[NH+]1CCOCC1	ZINC000900467555	613238508	/nfs/dbraw/zinc/23/85/08/613238508.db2.gz	PIWHAQSQVUEQRG-GAJOTYCWSA-N	-1	2	284.356	0.839	20	0		CCADLM
CCOCc1nc(C)c(C(=O)Nn2c(=O)[n-][nH]c2=O)s1	ZINC000854610037	615322432	/nfs/dbraw/zinc/32/24/32/615322432.db2.gz	ZEZQQMYYRLWOLV-UHFFFAOYSA-N	-1	2	299.312	0.375	20	0		CCADLM
CCc1[nH]c(C(=O)NCc2n[nH]c(=O)[nH]2)c(C)c1C(=O)[O-]	ZINC000830196544	616023676	/nfs/dbraw/zinc/02/36/76/616023676.db2.gz	NDLBCWSTYSONQC-UHFFFAOYSA-N	-1	2	293.283	0.337	20	0		CCADLM
C[C@@H](C[NH+]1CCOCC1)Nc1ccc(-c2nn[nH]n2)nc1	ZINC000820262805	641488992	/nfs/dbraw/zinc/48/89/92/641488992.db2.gz	ZMFRBOATVUXPFD-JTQLQIEISA-N	-1	2	289.343	0.394	20	0		CCADLM
O=[P@@]([O-])(O)Oc1ccc(OC2CS(=O)(=O)C2)cc1	ZINC001234337212	806226700	/nfs/dbraw/zinc/22/67/00/806226700.db2.gz	YMEJHIHBSOIIHL-UHFFFAOYSA-N	-1	2	294.221	0.334	20	0		CCADLM
O=[P@]([O-])(O)Oc1ccc(OC2CS(=O)(=O)C2)cc1	ZINC001234337212	806226703	/nfs/dbraw/zinc/22/67/03/806226703.db2.gz	YMEJHIHBSOIIHL-UHFFFAOYSA-N	-1	2	294.221	0.334	20	0		CCADLM
C[C@@H]1CN(C(=O)C(F)F)CC[C@H]1[NH2+]Cc1n[nH]c(=O)[nH]1	ZINC001035869731	819644374	/nfs/dbraw/zinc/64/43/74/819644374.db2.gz	UWGRBGHKHFUCLE-RNFRBKRXSA-N	-1	2	289.286	0.102	20	0		CCADLM
O=C(NCc1nn[n-]n1)c1cnc(-c2ccccc2)[nH]c1=O	ZINC001190267436	845379243	/nfs/dbraw/zinc/37/92/43/845379243.db2.gz	GYRMMEILJNPNKE-UHFFFAOYSA-N	-1	2	297.278	0.292	20	0		CCADLM
O=C([O-])c1n[nH]cc1NC(=O)c1ccc2[nH]nnc2c1	ZINC001594798100	953715618	/nfs/dbraw/zinc/71/56/18/953715618.db2.gz	CKOXOXNNFAOJGK-UHFFFAOYSA-N	-1	2	272.224	0.632	20	0		CCADLM
O=C([O-])[C@@H]1CN(C(=O)C(F)C(F)(F)F)CCO1	ZINC001594941589	954901314	/nfs/dbraw/zinc/90/13/14/954901314.db2.gz	VPWUHQGOASXIAP-CRCLSJGQSA-N	-1	2	259.155	0.199	20	0		CCADLM
O=C([O-])[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)CCO1	ZINC001594941589	954901320	/nfs/dbraw/zinc/90/13/20/954901320.db2.gz	VPWUHQGOASXIAP-CRCLSJGQSA-N	-1	2	259.155	0.199	20	0		CCADLM
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)OCC(=O)[O-]	ZINC001588954763	962587480	/nfs/dbraw/zinc/58/74/80/962587480.db2.gz	SEBQUWDDXHUTPJ-LURJTMIESA-N	-1	2	271.191	0.317	20	0		CCADLM
CC(=O)N[C@@H]1C(=O)N(c2cccc(C(=O)[O-])c2F)N=C1C	ZINC001589117587	985370911	/nfs/dbraw/zinc/37/09/11/985370911.db2.gz	AFHCCKLIUUXKII-NSHDSACASA-N	-1	2	293.254	0.751	20	0		CCADLM
CC(=O)Nc1c(C)[nH]n(-c2cccc(C(=O)[O-])c2F)c1=O	ZINC001589117587	985370926	/nfs/dbraw/zinc/37/09/26/985370926.db2.gz	AFHCCKLIUUXKII-NSHDSACASA-N	-1	2	293.254	0.751	20	0		CCADLM
CCC[C@H](NC(=O)CSc1n[nH]c(C)n1)c1nn[nH]n1	ZINC000268239717	352819449	/nfs/dbraw/zinc/81/94/49/352819449.db2.gz	URNAEXNHYZVANN-ZETCQYMHSA-N	-1	2	296.360	0.376	20	0		CCADLM
CC[C@H](C)[C@H](NS(=O)(=O)CC(F)(F)F)C(=O)[O-]	ZINC000567800243	358587792	/nfs/dbraw/zinc/58/77/92/358587792.db2.gz	BKRVGOBGENACFS-WDSKDSINSA-N	-1	2	277.264	0.967	20	0		CCADLM
O=C([O-])C(=O)N1CC[NH+](Cc2cccc(C(=O)[O-])c2)CC1	ZINC000568637132	358692346	/nfs/dbraw/zinc/69/23/46/358692346.db2.gz	IIJIIGFESFQCFY-UHFFFAOYSA-N	-1	2	292.291	0.114	20	0		CCADLM
O=C([O-])C[C@@]1(NS(=O)(=O)CC(F)(F)F)CCOC1	ZINC000571163479	358917278	/nfs/dbraw/zinc/91/72/78/358917278.db2.gz	FWUWAKJDLDQZFE-ZETCQYMHSA-N	-1	2	291.247	0.102	20	0		CCADLM
O=C(C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1)NCC1CCC1	ZINC000580934737	359110645	/nfs/dbraw/zinc/11/06/45/359110645.db2.gz	GTBGXMBBBWKBPD-LLVKDONJSA-N	-1	2	294.355	0.871	20	0		CCADLM
COCCn1cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cn1	ZINC000329551608	202381279	/nfs/dbraw/zinc/38/12/79/202381279.db2.gz	FYJLVBCXPDAHHM-NSHDSACASA-N	-1	2	293.327	0.106	20	0		CCADLM
O=C(N[C@@H]1CCN(C2CCC2)C1=O)c1cccc2[nH]nnc21	ZINC000629922196	369840105	/nfs/dbraw/zinc/84/01/05/369840105.db2.gz	JDHYXUNSVBYKOV-GFCCVEGCSA-N	-1	2	299.334	0.841	20	0		CCADLM
Cc1n[nH]c(=NC[C@]2(C(=O)[O-])CCCOC2)s1	ZINC000630463222	370126976	/nfs/dbraw/zinc/12/69/76/370126976.db2.gz	JUCUZGKEJMTUJK-SNVBAGLBSA-N	-1	2	257.315	0.562	20	0		CCADLM
C[C@@H](NC(=O)c1cccc2[nH]nnc21)C(=O)NC(C)(C)C	ZINC000182741010	389716495	/nfs/dbraw/zinc/71/64/95/389716495.db2.gz	FVNHLZUNSXODIT-MRVPVSSYSA-N	-1	2	289.339	0.991	20	0		CCADLM
C[C@H](C(F)(F)F)S(=O)(=O)NC[C@H](C)C(=O)[O-]	ZINC000381373144	389764693	/nfs/dbraw/zinc/76/46/93/389764693.db2.gz	IDHGOQKVOGRIAC-CRCLSJGQSA-N	-1	2	263.237	0.577	20	0		CCADLM
O=C(NCc1n[nH]c(=O)[nH]1)c1cc(F)c([O-])c(Cl)c1	ZINC000436939104	389987675	/nfs/dbraw/zinc/98/76/75/389987675.db2.gz	MCECEMWBBRNHLJ-UHFFFAOYSA-N	-1	2	286.650	0.938	20	0		CCADLM
O=C([O-])CCN(C(=O)N=c1cccn[nH]1)C1CCOCC1	ZINC000647697415	390140227	/nfs/dbraw/zinc/14/02/27/390140227.db2.gz	IOMANQGSACEOMP-UHFFFAOYSA-N	-1	2	294.311	0.386	20	0		CCADLM
Cc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cn1	ZINC000545199291	390318390	/nfs/dbraw/zinc/31/83/90/390318390.db2.gz	DNXGSEMDAVNRLP-NSHDSACASA-N	-1	2	260.297	0.126	20	0		CCADLM
CCOC(=O)COCCNC(=O)c1cccc2[nH]nnc21	ZINC000583978263	390328472	/nfs/dbraw/zinc/32/84/72/390328472.db2.gz	VXWUZBYZSLHBMC-UHFFFAOYSA-N	-1	2	292.295	0.267	20	0		CCADLM
C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2cccc3[nH]nnc32)CC1=O	ZINC000526115392	390676866	/nfs/dbraw/zinc/67/68/66/390676866.db2.gz	ADYMAOKPKJPFJR-KBVBSXBZSA-N	-1	2	299.334	0.697	20	0		CCADLM
O=c1[nH]nc([C@@H]2CCC[N@@H+](C[C@H](O)CC3(O)CCC3)C2)o1	ZINC000528497812	390751197	/nfs/dbraw/zinc/75/11/97/390751197.db2.gz	SKXJMAVKNXNJSK-GHMZBOCLSA-N	-1	2	297.355	0.621	20	0		CCADLM
C[C@H](C(F)(F)F)S(=O)(=O)NCC(C)(C)C(=O)[O-]	ZINC000548221237	286017580	/nfs/dbraw/zinc/01/75/80/286017580.db2.gz	SDBWFEQHXQITNR-RXMQYKEDSA-N	-1	2	277.264	0.967	20	0		CCADLM
CC(C)[C@H](CNC(=O)N=c1ncn(C(C)(C)C)[nH]1)C(=O)[O-]	ZINC000653542251	412313885	/nfs/dbraw/zinc/31/38/85/412313885.db2.gz	LINQFVJIOQMRTM-VIFPVBQESA-N	-1	2	297.359	0.933	20	0		CCADLM
CC[C@](C)(CNS(=O)(=O)c1c(C)cnn1C)C(=O)[O-]	ZINC000285167323	196212208	/nfs/dbraw/zinc/21/22/08/196212208.db2.gz	PRFHOIOKSQLGGO-LLVKDONJSA-N	-1	2	289.357	0.508	20	0		CCADLM
O=C([O-])[C@H](CC1CC1)NS(=O)(=O)Cc1ccon1	ZINC000285169905	196212101	/nfs/dbraw/zinc/21/21/01/196212101.db2.gz	PSURLAUWIPKFDH-VIFPVBQESA-N	-1	2	274.298	0.347	20	0		CCADLM
Cc1nc(=NC(=O)NCCC(C)(C)C(=O)[O-])[nH]n1C	ZINC000424387153	534870389	/nfs/dbraw/zinc/87/03/89/534870389.db2.gz	IWMKMQFELKEVHL-UHFFFAOYSA-N	-1	2	269.305	0.168	20	0		CCADLM
Cc1cc(NS(=O)(=O)c2cnn(C)c2)c(C(=O)[O-])[nH]1	ZINC000163446416	600175912	/nfs/dbraw/zinc/17/59/12/600175912.db2.gz	UOVXIGIQLVAGKE-UHFFFAOYSA-N	-1	2	284.297	0.556	20	0		CCADLM
N=C1NC(=O)[C@H](CC(=O)N(CC(=O)[O-])C2CCCC2)S1	ZINC000833089709	601873583	/nfs/dbraw/zinc/87/35/83/601873583.db2.gz	VDLYAZFDPFYHRK-QMMMGPOBSA-N	-1	2	299.352	0.399	20	0		CCADLM
Cc1n[nH]c(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)n1	ZINC000830770281	603660349	/nfs/dbraw/zinc/66/03/49/603660349.db2.gz	PSAARSNNNNOUPI-NKWVEPMBSA-N	-1	2	253.262	0.488	20	0		CCADLM
CN(CC[NH+]1CCOCC1)c1cnccc1-c1nn[nH]n1	ZINC000825938114	616090219	/nfs/dbraw/zinc/09/02/19/616090219.db2.gz	OZOAOJGVAWDXAX-UHFFFAOYSA-N	-1	2	289.343	0.030	20	0		CCADLM
COCCONC(=O)[C@H](CNC(=O)[O-])c1ccccc1	ZINC000829007712	616580194	/nfs/dbraw/zinc/58/01/94/616580194.db2.gz	MLXURSZHJTXFOZ-LLVKDONJSA-N	-1	2	282.296	0.732	20	0		CCADLM
C[C@H](NC(=O)NC[C@]12C[C@H]1COC21CCC1)C(=O)[O-]	ZINC000900309075	633987816	/nfs/dbraw/zinc/98/78/16/633987816.db2.gz	UXLGPAKVYPIVGZ-HOTUBEGUSA-N	-1	2	268.313	0.718	20	0		CCADLM
O=C(NCCCc1n[nH]c(=O)[n-]1)C(F)C(F)(F)F	ZINC000810461958	640935934	/nfs/dbraw/zinc/93/59/34/640935934.db2.gz	JHILFGCHHVZLAE-YFKPBYRVSA-N	-1	2	270.186	0.460	20	0		CCADLM
O=C(CSc1n[nH]c(=O)[n-]1)NOCCC1CC1	ZINC000817445961	641260161	/nfs/dbraw/zinc/26/01/61/641260161.db2.gz	DDRKXMIVTYMNBO-UHFFFAOYSA-N	-1	2	258.303	0.450	20	0		CCADLM
O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cccc(F)c1O	ZINC000935844059	649265902	/nfs/dbraw/zinc/26/59/02/649265902.db2.gz	YYBANDXAIHFFJD-LLVKDONJSA-N	-1	2	293.342	0.651	20	0		CCADLM
CCC[C@@H](NC(=O)C(=O)c1ccc(O)cc1)c1nn[n-]n1	ZINC001149123417	800233539	/nfs/dbraw/zinc/23/35/39/800233539.db2.gz	ZCOKHXJJJXVQHY-SNVBAGLBSA-N	-1	2	289.295	0.746	20	0		CCADLM
CC[N@@H+]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(O)cc1	ZINC001195793367	846626115	/nfs/dbraw/zinc/62/61/15/846626115.db2.gz	BNIFNWZUQWYJIF-QWRGUYRKSA-N	-1	2	282.365	0.859	20	0		CCADLM
CCc1nc(C[NH2+][C@H](CC(=O)[O-])C(=O)[O-])cs1	ZINC001331997285	917791889	/nfs/dbraw/zinc/79/18/89/917791889.db2.gz	CJOSHUUWSQWWQC-SSDOTTSWSA-N	-1	2	258.299	0.723	20	0		CCADLM
Cc1[nH]ncc1CNS(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC000380476963	971701829	/nfs/dbraw/zinc/70/18/29/971701829.db2.gz	KDBVBZSIGSCGBW-UHFFFAOYSA-N	-1	2	296.308	0.290	20	0		CCADLM
Cc1noc(N[C@@H]2CCCCN(CC(=O)[O-])C2=O)n1	ZINC001594502522	955334486	/nfs/dbraw/zinc/33/44/86/955334486.db2.gz	QYGSBRSEJOWQIC-MRVPVSSYSA-N	-1	2	268.273	0.256	20	0		CCADLM
CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H](C)C1=NN(C)CC1=O	ZINC001589088211	955914829	/nfs/dbraw/zinc/91/48/29/955914829.db2.gz	KNXBCSHHJYCLFC-CBAPKCEASA-N	-1	2	269.301	0.660	20	0		CCADLM
CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H](C)c1nn(C)cc1O	ZINC001589088211	955914835	/nfs/dbraw/zinc/91/48/35/955914835.db2.gz	KNXBCSHHJYCLFC-CBAPKCEASA-N	-1	2	269.301	0.660	20	0		CCADLM
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)O[C@H](C)C(=O)[O-]	ZINC001589159997	956400770	/nfs/dbraw/zinc/40/07/70/956400770.db2.gz	XGMXDWXUGTZJOX-RITPCOANSA-N	-1	2	285.218	0.706	20	0		CCADLM
C[C@@H](NS(=O)(=O)CCCC(=O)[O-])C(F)(F)F	ZINC000389314743	972218348	/nfs/dbraw/zinc/21/83/48/972218348.db2.gz	PTLCPMLGNROKLA-RXMQYKEDSA-N	-1	2	263.237	0.721	20	0		CCADLM
N=C1NC(=O)[C@@H](CC(=O)N2C3CCC2(C(=O)[O-])CC3)S1	ZINC001571061464	960767593	/nfs/dbraw/zinc/76/75/93/960767593.db2.gz	BRNQNABBQHHTEJ-PELISNOXSA-N	-1	2	297.336	0.151	20	0		CCADLM
CC(C)(NC(=O)C(F)(F)F)C(=O)OCC(=O)[O-]	ZINC001588786873	961350983	/nfs/dbraw/zinc/35/09/83/961350983.db2.gz	YENGFJHAOUBYHA-UHFFFAOYSA-N	-1	2	257.164	0.071	20	0		CCADLM
C[C@@H](CC(=O)[O-])CC(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC001592374892	977904665	/nfs/dbraw/zinc/90/46/65/977904665.db2.gz	FGIUZRMGFYLFRN-RKDXNWHRSA-N	-1	2	296.327	0.717	20	0		CCADLM
C[C@@H](O)[C@H](NC(=O)c1cccc(Cl)c1O)C(=O)[O-]	ZINC001599845412	988923323	/nfs/dbraw/zinc/92/33/23/988923323.db2.gz	GLBGTIFEYVQGNB-XRGYYRRGSA-N	-1	2	273.672	0.609	20	0		CCADLM
CCn1ncn(NC(=O)c2ccc(C=CC(=O)[O-])o2)c1=O	ZINC001597967998	990011258	/nfs/dbraw/zinc/01/12/58/990011258.db2.gz	KUEGKSJMQGCMPI-XQRVVYSFSA-N	-1	2	292.251	0.139	20	0		CCADLM
CO[C@@H](CNC(=O)c1cccc2[nH]nnc21)[C@H]1CCOC1	ZINC000617134232	365544784	/nfs/dbraw/zinc/54/47/84/365544784.db2.gz	CAVIJPSCKYLLFT-CABZTGNLSA-N	-1	2	290.323	0.739	20	0		CCADLM
COc1cccc(NC(=O)NCc2n[n-]c(=N)o2)c1	ZINC000346644269	137296389	/nfs/dbraw/zinc/29/63/89/137296389.db2.gz	OTZGCRYXRNWDOZ-UHFFFAOYSA-N	-1	2	263.257	0.812	20	0		CCADLM
COc1ccc(=NC(=O)NCCCO[C@@H]2CCOC2)[n-]n1	ZINC000346681214	137298781	/nfs/dbraw/zinc/29/87/81/137298781.db2.gz	KOQPOGNMOZAZBP-SNVBAGLBSA-N	-1	2	296.327	0.224	20	0		CCADLM
Nc1nc(=NCCCNc2cccc[nH+]2)nc2[nH][nH]cc1-2	ZINC000354505567	356427180	/nfs/dbraw/zinc/42/71/80/356427180.db2.gz	LLNJGVOFPVLRAA-UHFFFAOYSA-N	-1	2	284.327	0.448	20	0		CCADLM
CO[C@]1(C)C[C@H]([N@H+](C)Cc2nc(=O)n(C)[nH]2)C1(C)C	ZINC000408151961	357942198	/nfs/dbraw/zinc/94/21/98/357942198.db2.gz	YWHFDXLXPXVLMV-TVQRCGJNSA-N	-1	2	268.361	0.744	20	0		CCADLM
COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2[nH]ccc2n1	ZINC000179143107	389640391	/nfs/dbraw/zinc/64/03/91/389640391.db2.gz	GGEYXOXOFFCMIH-NSHDSACASA-N	-1	2	290.323	0.550	20	0		CCADLM
C[N@H+](CCCn1cc[nH+]c1)Cc1cc(=O)n2[nH]ccc2n1	ZINC000181064414	389680153	/nfs/dbraw/zinc/68/01/53/389680153.db2.gz	ITIBQWCVUMKZSB-UHFFFAOYSA-N	-1	2	286.339	0.741	20	0		CCADLM
CC(C)(C)n1cnc(=NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)[nH]1	ZINC000647699076	390139824	/nfs/dbraw/zinc/13/98/24/390139824.db2.gz	UJBZFSHMCCAUFT-DTWKUNHWSA-N	-1	2	295.343	0.830	20	0		CCADLM
C[C@H]1CCN(C(=O)N=c2cccn[nH]2)C[C@H]1C(=O)[O-]	ZINC000647697458	390139843	/nfs/dbraw/zinc/13/98/43/390139843.db2.gz	LALJDQLQTKSHSW-DTWKUNHWSA-N	-1	2	264.285	0.473	20	0		CCADLM
O=C(CNC(=O)c1cccc2[nH]nnc21)NCC(F)F	ZINC000519680983	390528121	/nfs/dbraw/zinc/52/81/21/390528121.db2.gz	VLKRYUZUMQGNJO-UHFFFAOYSA-N	-1	2	283.238	0.069	20	0		CCADLM
COC(=O)C(C)(C)NC(=O)c1cccc2[nH]nnc21	ZINC000526113415	390676849	/nfs/dbraw/zinc/67/68/49/390676849.db2.gz	PPYQSORQWRCFNO-UHFFFAOYSA-N	-1	2	262.269	0.639	20	0		CCADLM
O=C([O-])CC1(NC(=O)N=c2nc3n([nH]2)CCCC3)CCC1	ZINC000649544568	397631143	/nfs/dbraw/zinc/63/11/43/397631143.db2.gz	ZLKPPNONOIXKLQ-UHFFFAOYSA-N	-1	2	293.327	0.555	20	0		CCADLM
Cn1cc(S(=O)(=O)Nc2ccccn2)cc1C(=O)[O-]	ZINC000020213403	171075867	/nfs/dbraw/zinc/07/58/67/171075867.db2.gz	UZODHKJTZRXRCZ-UHFFFAOYSA-N	-1	2	281.293	0.341	20	0		CCADLM
Cc1cc(=NC(=O)NC[C@H](C)C(=O)[O-])[nH]nc1C	ZINC000653539173	412312790	/nfs/dbraw/zinc/31/27/90/412312790.db2.gz	VCXQAEBQFYBZQN-ZETCQYMHSA-N	-1	2	252.274	0.358	20	0		CCADLM
Cc1nc(=NC(=O)NC[C@@H](C(=O)[O-])C(C)C)[nH]n1C	ZINC000653546035	412313642	/nfs/dbraw/zinc/31/36/42/412313642.db2.gz	VTHVOFUFRHYNLE-MRVPVSSYSA-N	-1	2	269.305	0.024	20	0		CCADLM
O=C([O-])c1cc(S(=O)(=O)Nc2cnccn2)ccc1O	ZINC000035159994	172018110	/nfs/dbraw/zinc/01/81/10/172018110.db2.gz	YTJNLBAFLYJRMH-UHFFFAOYSA-N	-1	2	295.276	0.681	20	0		CCADLM
CCN1CC[C@H]([N@@H+]2CCC[C@H](C3N=NC(=O)O3)C2)C1=O	ZINC000660461226	414338407	/nfs/dbraw/zinc/33/84/07/414338407.db2.gz	AZRDYYUIPLQBLN-UWVGGRQHSA-N	-1	2	280.328	0.575	20	0		CCADLM
CO[C@H](C)c1nc(=NCc2n[nH]c(=O)[nH]2)s[n-]1	ZINC000392646073	545087654	/nfs/dbraw/zinc/08/76/54/545087654.db2.gz	LPIQAEOKGOVWIO-SCSAIBSYSA-N	-1	2	256.291	0.103	20	0		CCADLM
Cc1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1O	ZINC000676700026	545349102	/nfs/dbraw/zinc/34/91/02/545349102.db2.gz	ZVVLGJOYHKNUOZ-SCZZXKLOSA-N	-1	2	266.345	0.836	20	0		CCADLM
N=C1NC(=O)[C@@H](CC(=O)NC2CCC(C(=O)[O-])CC2)S1	ZINC000821357048	600880103	/nfs/dbraw/zinc/88/01/03/600880103.db2.gz	DLCLWOHFEHTXLE-KAVNDROISA-N	-1	2	299.352	0.302	20	0		CCADLM
O=C([O-])c1ccc(F)c(NC(=O)NCc2n[nH]c(=O)[nH]2)c1	ZINC000392394029	602363109	/nfs/dbraw/zinc/36/31/09/602363109.db2.gz	FLXGXGMLIZBUGM-UHFFFAOYSA-N	-1	2	295.230	0.669	20	0		CCADLM
O=C([O-])c1csc(NC(=O)NCc2n[nH]c(=O)[nH]2)c1	ZINC000833148106	604484231	/nfs/dbraw/zinc/48/42/31/604484231.db2.gz	TXQUNDQVFDWASG-UHFFFAOYSA-N	-1	2	283.269	0.592	20	0		CCADLM
C[C@H]1[C@H](NC(=O)c2ccccc2O)CCC[N@@H+]1CC(N)=O	ZINC000993078486	637686393	/nfs/dbraw/zinc/68/63/93/637686393.db2.gz	ZALDCDHQQKKEJL-CMPLNLGQSA-N	-1	2	291.351	0.460	20	0		CCADLM
C[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC(C)(C)C1	ZINC001220288665	804561347	/nfs/dbraw/zinc/56/13/47/804561347.db2.gz	FLRLSYQYURSYHV-GUBZILKMSA-N	-1	2	280.376	0.401	20	0		CCADLM
Cn1cnc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n1	ZINC001260391898	808860168	/nfs/dbraw/zinc/86/01/68/808860168.db2.gz	ZKMLCRROKKHKGY-UHFFFAOYSA-N	-1	2	298.280	0.020	20	0		CCADLM
COCn1cc(-c2ccc([P@@](=O)([O-])O)cc2)cn1	ZINC001245221602	839001797	/nfs/dbraw/zinc/00/17/97/839001797.db2.gz	MCGLJTPDXNMOMW-UHFFFAOYSA-N	-1	2	268.209	0.957	20	0		CCADLM
COCn1cc(-c2ccc([P@](=O)([O-])O)cc2)cn1	ZINC001245221602	839001808	/nfs/dbraw/zinc/00/18/08/839001808.db2.gz	MCGLJTPDXNMOMW-UHFFFAOYSA-N	-1	2	268.209	0.957	20	0		CCADLM
O=C([O-])CCC(=O)CNC(=O)c1c(F)ccc(F)c1O	ZINC001192718987	845901462	/nfs/dbraw/zinc/90/14/62/845901462.db2.gz	HIWVMACLABEFKA-UHFFFAOYSA-N	-1	2	287.218	0.834	20	0		CCADLM
O=C(NCS(=O)(=O)[O-])c1c(F)ccc(F)c1O	ZINC001192720981	845904147	/nfs/dbraw/zinc/90/41/47/845904147.db2.gz	VIJYTBHFYYVPNA-UHFFFAOYSA-N	-1	2	267.209	0.246	20	0		CCADLM
O=C(N[C@@H]1SC(=O)NC1=O)c1cc(F)c([O-])cc1F	ZINC001192879866	845929968	/nfs/dbraw/zinc/92/99/68/845929968.db2.gz	PIJMIRGETMCPNK-SECBINFHSA-N	-1	2	288.231	0.709	20	0		CCADLM
Cn1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n1	ZINC000037395261	846676217	/nfs/dbraw/zinc/67/62/17/846676217.db2.gz	XMSVPFOXZNNZMU-UHFFFAOYSA-N	-1	2	297.292	0.625	20	0		CCADLM
O=C(Nn1c(=O)[n-][nH]c1=O)c1ncccc1-c1ccccn1	ZINC001298668027	907297724	/nfs/dbraw/zinc/29/77/24/907297724.db2.gz	NHSYDAJMJOTSEL-UHFFFAOYSA-N	-1	2	298.262	0.530	20	0		CCADLM
Cc1c(C(=O)N2CC[C@@H](c3nn[nH]n3)C2)ccc2c[nH+]cn21	ZINC001349002751	924865714	/nfs/dbraw/zinc/86/57/14/924865714.db2.gz	QWXRUKUEXVRQSQ-SNVBAGLBSA-N	-1	2	297.322	0.786	20	0		CCADLM
CC(=O)c1ccc(O)c(NC(=O)Cn2c(=O)[n-][nH]c2=O)c1	ZINC001447028188	930549800	/nfs/dbraw/zinc/54/98/00/930549800.db2.gz	XDUZLRVWIUCXSK-UHFFFAOYSA-N	-1	2	292.251	0.236	20	0		CCADLM
COCCN(CC(=O)[O-])C(=O)C(F)C(F)(F)F	ZINC001611005113	970844567	/nfs/dbraw/zinc/84/45/67/970844567.db2.gz	NONCKESCKHLPIC-ZCFIWIBFSA-N	-1	2	261.171	0.446	20	0		CCADLM
COCCN(CC(=O)[O-])C(=O)[C@@H](F)C(F)(F)F	ZINC001611005113	970844575	/nfs/dbraw/zinc/84/45/75/970844575.db2.gz	NONCKESCKHLPIC-ZCFIWIBFSA-N	-1	2	261.171	0.446	20	0		CCADLM
O=C([O-])C1(C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)CC1	ZINC001594850682	954182301	/nfs/dbraw/zinc/18/23/01/954182301.db2.gz	MZARMIMZTSCGAS-ZETCQYMHSA-N	-1	2	280.284	0.081	20	0		CCADLM
CO[C@@H](C)c1nsc(NCCSCC(=O)[O-])n1	ZINC000389457560	972226753	/nfs/dbraw/zinc/22/67/53/972226753.db2.gz	ZIZARQOTCJPKBF-LURJTMIESA-N	-1	2	277.371	0.897	20	0		CCADLM
C[C@H](NC(=O)C1(C(=O)[O-])CC=CC1)C1=NN(C)CC1=O	ZINC001603215629	972328473	/nfs/dbraw/zinc/32/84/73/972328473.db2.gz	JAJADHFVDKOKOT-QMMMGPOBSA-N	-1	2	279.296	0.724	20	0		CCADLM
C[C@H](NC(=O)C1(C(=O)[O-])CC=CC1)c1nn(C)cc1O	ZINC001603215629	972328476	/nfs/dbraw/zinc/32/84/76/972328476.db2.gz	JAJADHFVDKOKOT-QMMMGPOBSA-N	-1	2	279.296	0.724	20	0		CCADLM
Cc1nnc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)o1	ZINC000127689885	958620329	/nfs/dbraw/zinc/62/03/29/958620329.db2.gz	IAKJHCUPNCZSNM-UHFFFAOYSA-N	-1	2	283.265	0.877	20	0		CCADLM
CCCC[C@H](NC(=O)C[C@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC001595635502	981904426	/nfs/dbraw/zinc/90/44/26/981904426.db2.gz	XJPXLGCKPAFNAS-NKWVEPMBSA-N	-1	2	287.341	0.302	20	0		CCADLM
Cc1n[nH]cc1S(=O)(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001599969667	985982342	/nfs/dbraw/zinc/98/23/42/985982342.db2.gz	PHBDDYNUDVRNDH-UHFFFAOYSA-N	-1	2	299.312	0.108	20	0		CCADLM
COC(=O)[C@H](CC(=O)[O-])NC(=O)C(F)C(F)(F)F	ZINC001598693151	995095400	/nfs/dbraw/zinc/09/54/00/995095400.db2.gz	GVMIJDRQVXZQJJ-WVZVXSGGSA-N	-1	2	275.154	0.019	20	0		CCADLM
COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](F)C(F)(F)F	ZINC001598693151	995095404	/nfs/dbraw/zinc/09/54/04/995095404.db2.gz	GVMIJDRQVXZQJJ-WVZVXSGGSA-N	-1	2	275.154	0.019	20	0		CCADLM
C[C@H]1C[C@@H](C(=O)[O-])CN(c2cc[nH+]c(C(=O)[O-])n2)C1	ZINC001594209037	998808364	/nfs/dbraw/zinc/80/83/64/998808364.db2.gz	BMGHALGPNABGHL-JGVFFNPUSA-N	-1	2	265.269	0.722	20	0		CCADLM
C[C@@H]1CCN(C(=O)C[C@@H]2SC(=N)NC2=O)[C@H](C(=O)[O-])C1	ZINC001594397360	999497128	/nfs/dbraw/zinc/49/71/28/999497128.db2.gz	XXPYIFIOIRKMGJ-CSMHCCOUSA-N	-1	2	299.352	0.255	20	0		CCADLM
Cn1ncc2c1[nH]cc(C(=O)N1C[C@@H](O)C(C)(C)C1)c2=O	ZINC000344784676	137213151	/nfs/dbraw/zinc/21/31/51/137213151.db2.gz	LHOMJKLTBHWDLG-SNVBAGLBSA-N	-1	2	290.323	0.517	20	0		CCADLM
C[C@@H]1C[N@H+](Cc2ncccc2O)[C@H](C)CN1CCO	ZINC000557201067	291026503	/nfs/dbraw/zinc/02/65/03/291026503.db2.gz	LYCFGHRCSCWBPZ-VXGBXAGGSA-N	-1	2	265.357	0.674	20	0		CCADLM
COC(=O)CSCCNC(=O)c1cccc2[nH]nnc21	ZINC000573428831	358965062	/nfs/dbraw/zinc/96/50/62/358965062.db2.gz	PCPVQHXDQQFUGF-UHFFFAOYSA-N	-1	2	294.336	0.594	20	0		CCADLM
CC(C)[C@](C)(NC(=O)c1cccc2[nH]nnc21)C(N)=O	ZINC000516962195	249193240	/nfs/dbraw/zinc/19/32/40/249193240.db2.gz	SBQBKZDFNUJKJY-ZDUSSCGKSA-N	-1	2	275.312	0.588	20	0		CCADLM
Cc1nc(=N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)s[nH]1	ZINC000416446468	389744934	/nfs/dbraw/zinc/74/49/34/389744934.db2.gz	PIMOPQZRFFGQFE-IUCAKERBSA-N	-1	2	298.368	0.390	20	0		CCADLM
C[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)C[C@H]1CCC[C@H]1O	ZINC000535871187	390155356	/nfs/dbraw/zinc/15/53/56/390155356.db2.gz	PLWBJTIGKCLWFD-ZYHUDNBSSA-N	-1	2	276.340	0.615	20	0		CCADLM
Cc1[nH]nc(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)c1[O-]	ZINC000644883782	390338386	/nfs/dbraw/zinc/33/83/86/390338386.db2.gz	CGVZLGZNXNMTML-ZETCQYMHSA-N	-1	2	293.283	0.532	20	0		CCADLM
COCC[C@@H](NC(=O)c1cccc2[nH]nnc21)C(=O)OC	ZINC000519680179	390527853	/nfs/dbraw/zinc/52/78/53/390527853.db2.gz	DQQBORAMGUTLAW-SNVBAGLBSA-N	-1	2	292.295	0.266	20	0		CCADLM
CN(CCC(=O)[O-])c1cc(N(C)CCC(=O)[O-])[nH+]cn1	ZINC000662879531	414864672	/nfs/dbraw/zinc/86/46/72/414864672.db2.gz	NAUPLYPKDPVKQC-UHFFFAOYSA-N	-1	2	282.300	0.298	20	0		CCADLM
O=C([O-])[C@]12COC[C@H]1C[N@H+](Cc1cccc3[nH+]ccn31)C2	ZINC000665345433	415615653	/nfs/dbraw/zinc/61/56/53/415615653.db2.gz	QOBSXNPIWKKTES-IAQYHMDHSA-N	-1	2	287.319	0.867	20	0		CCADLM
Cc1nc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cs1	ZINC000192662039	262207723	/nfs/dbraw/zinc/20/77/23/262207723.db2.gz	NNTJCHBGBMGCRO-LBPRGKRZSA-N	-1	2	280.353	0.626	20	0		CCADLM
CC(C)(CCNC(=O)N=c1nc2n([nH]1)CCCC2)C(=O)[O-]	ZINC000424389526	527038669	/nfs/dbraw/zinc/03/86/69/527038669.db2.gz	LGVRIAHMDGJXIQ-UHFFFAOYSA-N	-1	2	295.343	0.659	20	0		CCADLM
Cn1nncc1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000682832969	545491106	/nfs/dbraw/zinc/49/11/06/545491106.db2.gz	RTPDKUUKDAHCIX-UHFFFAOYSA-N	-1	2	296.308	0.243	20	0		CCADLM
C[C@H]1C[N@@H+](CCNc2cccc(-c3nn[nH]n3)n2)CCO1	ZINC000736286806	581729830	/nfs/dbraw/zinc/72/98/30/581729830.db2.gz	NSQJIRXWTIDNKX-JTQLQIEISA-N	-1	2	289.343	0.394	20	0		CCADLM
O=C([O-])[C@@H]1CN(Cc2nc(=O)c3sccc3[nH]2)CCO1	ZINC000043703923	599977279	/nfs/dbraw/zinc/97/72/79/599977279.db2.gz	FEXYOVDERDJKPJ-QMMMGPOBSA-N	-1	2	295.320	0.270	20	0		CCADLM
CSC[C@H](NS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-]	ZINC000906005461	617255813	/nfs/dbraw/zinc/25/58/13/617255813.db2.gz	RCEZJOUTCIEXTE-UHNVWZDZSA-N	-1	2	295.304	0.673	20	0		CCADLM
Cn1cnc(CNC(=O)N[C@@](C)(CCF)C(=O)[O-])c1	ZINC000900308764	633987565	/nfs/dbraw/zinc/98/75/65/633987565.db2.gz	OJMHSCNICYVOIU-NSHDSACASA-N	-1	2	272.280	0.422	20	0		CCADLM
O=C([O-])CNC(=O)NC[C@]12C[C@H]1COC21CCC1	ZINC000900308734	633987990	/nfs/dbraw/zinc/98/79/90/633987990.db2.gz	NIKIWQVANQMKSQ-GZMMTYOYSA-N	-1	2	254.286	0.329	20	0		CCADLM
Cc1ncccc1CCNC(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000900310422	633988037	/nfs/dbraw/zinc/98/80/37/633988037.db2.gz	MMAYFHFVSXOHKO-LBPRGKRZSA-N	-1	2	293.323	0.428	20	0		CCADLM
O=C([O-])c1cccc(N2CCOC[C@@H]2C(=O)[O-])[nH+]1	ZINC000900943863	634132122	/nfs/dbraw/zinc/13/21/22/634132122.db2.gz	GKJNOWTWBKEVCF-MRVPVSSYSA-N	-1	2	252.226	0.070	20	0		CCADLM
CC(C)(CNc1ccc([P@@](=O)([O-])O)cc1)C(N)=O	ZINC001167606121	791620089	/nfs/dbraw/zinc/62/00/89/791620089.db2.gz	YTBADVFWKWXCGM-UHFFFAOYSA-N	-1	2	272.241	0.413	20	0		CCADLM
CC(C)(CNc1ccc([P@](=O)([O-])O)cc1)C(N)=O	ZINC001167606121	791620094	/nfs/dbraw/zinc/62/00/94/791620094.db2.gz	YTBADVFWKWXCGM-UHFFFAOYSA-N	-1	2	272.241	0.413	20	0		CCADLM
Cc1nc2ccnn2cc1C(=O)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001153002641	800580409	/nfs/dbraw/zinc/58/04/09/800580409.db2.gz	VZPZANDILROCRQ-SECBINFHSA-N	-1	2	298.310	0.181	20	0		CCADLM
Cc1nc2ccnn2cc1C(=O)N1CC[C@@H](c2nn[n-]n2)C1	ZINC001153002641	800580416	/nfs/dbraw/zinc/58/04/16/800580416.db2.gz	VZPZANDILROCRQ-SECBINFHSA-N	-1	2	298.310	0.181	20	0		CCADLM
Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)c(O)c1	ZINC000699522109	816758679	/nfs/dbraw/zinc/75/86/79/816758679.db2.gz	GJSYATFJQNHRQW-NSHDSACASA-N	-1	2	264.325	0.449	20	0		CCADLM
O=S(=O)(Cc1n[nH]c(C2CC2)n1)c1ncc[nH]1	ZINC000180314535	821466669	/nfs/dbraw/zinc/46/66/69/821466669.db2.gz	IRORKJXMXRZAOX-UHFFFAOYSA-N	-1	2	253.287	0.379	20	0		CCADLM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ncn(C)n1	ZINC001185868935	844469985	/nfs/dbraw/zinc/46/99/85/844469985.db2.gz	DTLUTHAUPUHLNV-UHFFFAOYSA-N	-1	2	296.308	0.623	20	0		CCADLM
O=C(Nc1nc(-c2ccncc2)n[nH]1)c1ccc[n+]([O-])c1	ZINC001326213743	913826249	/nfs/dbraw/zinc/82/62/49/913826249.db2.gz	OGKKNKOUXMXHGN-UHFFFAOYSA-N	-1	2	282.263	0.752	20	0		CCADLM
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCCc1n[nH]c(=S)o1	ZINC001594766069	953531943	/nfs/dbraw/zinc/53/19/43/953531943.db2.gz	ZDUDKEKLZRELHX-NTSWFWBYSA-N	-1	2	271.298	0.128	20	0		CCADLM
C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C[C@H]1SC(=N)NC1=O	ZINC001589298944	953675059	/nfs/dbraw/zinc/67/50/59/953675059.db2.gz	SFPHENZVRXUUSZ-BWZBUEFSSA-N	-1	2	299.352	0.255	20	0		CCADLM
CO[C@@H](C(=O)[O-])C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1	ZINC001593913755	956001386	/nfs/dbraw/zinc/00/13/86/956001386.db2.gz	WVLNFDXJUFDCBR-MRVPVSSYSA-N	-1	2	292.251	0.215	20	0		CCADLM
CC(C)(C)[C@H](C(=O)[O-])C(=O)NOC[C@H]1CCOC1	ZINC001588634340	959636519	/nfs/dbraw/zinc/63/65/19/959636519.db2.gz	PBGCBHJPFVMIHF-IUCAKERBSA-N	-1	2	259.302	0.818	20	0		CCADLM
CCCN(C(=O)C[C@@H]1SC(=N)NC1=O)[C@H](C)C(=O)[O-]	ZINC001571030558	960490494	/nfs/dbraw/zinc/49/04/94/960490494.db2.gz	KCQPSRVVSGXUMZ-RQJHMYQMSA-N	-1	2	287.341	0.255	20	0		CCADLM
O=C([O-])c1ccc(CC(=O)NCc2n[nH]c(=O)[nH]2)cc1	ZINC001571005057	963236001	/nfs/dbraw/zinc/23/60/01/963236001.db2.gz	ADKGCGGQDPJBKP-UHFFFAOYSA-N	-1	2	276.252	0.067	20	0		CCADLM
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C[C@H]1SC(=N)NC1=O	ZINC001599877828	989441519	/nfs/dbraw/zinc/44/15/19/989441519.db2.gz	ZMZSMZCCHUNBGB-BWZBUEFSSA-N	-1	2	299.352	0.255	20	0		CCADLM
CCn1ncn(NC(=O)c2ccc(C=CC(=O)[O-])o2)c1=O	ZINC001597967996	990011191	/nfs/dbraw/zinc/01/11/91/990011191.db2.gz	KUEGKSJMQGCMPI-GQCTYLIASA-N	-1	2	292.251	0.139	20	0		CCADLM