smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(N2CCN3C[C@H](COc4ccccn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn21	ZINC000013585836	562995072	/nfs/dbraw/zinc/99/50/72/562995072.db2.gz	XSSSZWNOKWNALH-CVEARBPZSA-N	0	1	447.503	1.736	1	0		IDAFMN
CCCOC(=O)c1ccccc1N1CCN(CCCN2CC(=O)N3CCC[C@H]3C2=O)CC1	ZINC000013861476	563012752	/nfs/dbraw/zinc/01/27/52/563012752.db2.gz	HJZFENSTBGTUCJ-NRFANRHFSA-N	0	1	442.560	1.599	1	0		IDAFMN
CN([C@H]1CCCCn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc21)S(C)(=O)=O	ZINC000014979542	563017294	/nfs/dbraw/zinc/01/72/94/563017294.db2.gz	OAWPADRFPQLCMW-AWEZNQCLSA-N	0	1	438.481	1.134	1	0		IDAFMN
Cc1nnc(SC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@H]([NH3+])c4ccccc4)[C@H]3CC2)s1	ZINC000026376824	563031196	/nfs/dbraw/zinc/03/11/96/563031196.db2.gz	VXOZBXOAXZUTKG-BNOWGMLFSA-N	0	1	445.526	1.424	1	0		IDAFMN
COC(=O)COc1ccc(CC[NH2+]C[C@H](O)c2ccc(O)c([N-]S(C)(=O)=O)c2)cc1	ZINC000026829769	563037089	/nfs/dbraw/zinc/03/70/89/563037089.db2.gz	VQPXWWJGBZIGAX-IBGZPJMESA-N	0	1	438.502	1.181	1	0		IDAFMN
CN(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)C2=N)cc1	ZINC000028015307	563049875	/nfs/dbraw/zinc/04/98/75/563049875.db2.gz	HPZRXBGOWQYGCF-UHFFFAOYSA-N	0	1	435.594	1.481	1	0		IDAFMN
C[C@@H](C(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)C2=N)cc1)N(C)C	ZINC000028087024	563050254	/nfs/dbraw/zinc/05/02/54/563050254.db2.gz	QTZGKGSWZFDSDM-KRWDZBQOSA-N	0	1	449.621	1.869	1	0		IDAFMN
COc1ccc2c(c1)scc2[C@@H]([NH3+])C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@@H]12	ZINC000029553720	563082045	/nfs/dbraw/zinc/08/20/45/563082045.db2.gz	YORLHZSEDHNXHU-GLJUWKHASA-N	0	1	433.511	1.668	1	0		IDAFMN
COc1ccc(NS(=O)(=O)c2ccc(-c3cc4c([nH]3)c(=O)n(C)c(=O)n4C)cc2)cn1	ZINC000034800780	563087257	/nfs/dbraw/zinc/08/72/57/563087257.db2.gz	FIYWVLDBOIJBSP-UHFFFAOYSA-N	0	1	441.469	1.437	1	0		IDAFMN
CC(C)C(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)[O-])C=C[C@H]4[C@@H](C2)[N@H+](C)CC[C@]314	ZINC000036221937	563092127	/nfs/dbraw/zinc/09/21/27/563092127.db2.gz	GABBKMMVICEZHE-AYHJQLAQSA-N	0	1	435.498	1.881	1	0	in-vivo	IDAFMN
CN1CCN(c2ncnc3c2ncn3[C@H]2CN(Cc3ccc(F)cc3)C[C@@H](CO)O2)CC1	ZINC000061905870	563148468	/nfs/dbraw/zinc/14/84/68/563148468.db2.gz	DLJNGCVFDGKCPR-RBUKOAKNSA-N	0	1	441.511	1.109	3	0		IDAFMN
CN1CCN(c2cc(-c3ccnc(Nc4cccc(S(N)(=O)=O)c4)n3)ccn2)CC1	ZINC000095577364	563186264	/nfs/dbraw/zinc/18/62/64/563186264.db2.gz	WWIORRXZBVZYMW-UHFFFAOYSA-N	0	1	425.518	1.681	1	0		IDAFMN
COC(=O)[C@@H]1CCCN1C1CCN(c2ccc(C(=O)NCCN3CCOCC3)cc2)CC1	ZINC000011790835	132340054	/nfs/dbraw/zinc/34/00/54/132340054.db2.gz	PQVYQIZEQJZQHQ-QFIPXVFZSA-N	0	1	444.576	1.355	1	0		IDAFMN
O=C1Nc2ccccc2/C1=c1\[nH]c(=O)/c(=C\c2ccc(OCc3ccccc3)cn2)[nH]c1=O	ZINC000005596848	562944380	/nfs/dbraw/zinc/94/43/80/562944380.db2.gz	PGCSTFGLXYCKJU-DERSFYRZSA-N	0	1	438.443	1.017	1	0		IDAFMN
C[C@H](c1nc(-c2ccc(NS(C)(=O)=O)cc2Cl)no1)[C@H](N)C(=O)N1CCCC1	ZINC000014948456	563015588	/nfs/dbraw/zinc/01/55/88/563015588.db2.gz	BNMQXARXSAHNCZ-HZMBPMFUSA-N	0	1	427.914	1.815	1	0		IDAFMN
[NH3+][C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nncs3)CC[C@H]12)c1ccccc1	ZINC000026376626	563031143	/nfs/dbraw/zinc/03/11/43/563031143.db2.gz	XBUWJOUUTIKZCR-RTXFEEFZSA-N	0	1	431.499	1.116	1	0		IDAFMN
Cc1ccc(S(=O)(=O)N[C@H](Cc2cccc(C(N)N)c2)C(=O)N2CCCCC2)cc1	ZINC000027634762	563044908	/nfs/dbraw/zinc/04/49/08/563044908.db2.gz	UHXFBNSWVMZPBK-HXUWFJFHSA-N	0	1	430.574	1.813	1	0		IDAFMN
Cn1c2ncn(CCN3CCN(CCCSc4ccccc4)CC3)c2c(=O)n(C)c1=O	ZINC000027712971	563045636	/nfs/dbraw/zinc/04/56/36/563045636.db2.gz	BFUADCHJHWEIRI-UHFFFAOYSA-N	0	1	442.589	1.234	1	0		IDAFMN
COc1cc2c(cc1OC(=O)C[C@H](C)O)[C@H]1[C@H]3C(=C[C@H](OC(C)=O)[C@@H]1OC2=O)CCN3C	ZINC000033913552	563084965	/nfs/dbraw/zinc/08/49/65/563084965.db2.gz	FBWQZJWDTGIERI-CUNPTNSQSA-N	0	1	445.468	1.570	1	0		IDAFMN
Cn1c2nc3n(c2c(=O)n(C)c1=O)c(=O)c(Cc1ccccc1)c(O)n3Cc1ccccc1	ZINC000034090851	563085546	/nfs/dbraw/zinc/08/55/46/563085546.db2.gz	SLJSKUKOZWXKJH-UHFFFAOYSA-N	0	1	443.463	1.391	1	0		IDAFMN
C[C@@H](O)Cc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCNCC2)nn1	ZINC000036386735	563094551	/nfs/dbraw/zinc/09/45/51/563094551.db2.gz	YEWVLFGJUPCCIS-LJQANCHMSA-N	0	1	436.601	1.260	3	0		IDAFMN
Cc1noc(CN2CCn3c(=O)c(O)c(C(=O)NCc4ccc(F)cc4)nc3C2(C)C)n1	ZINC000036520159	563095820	/nfs/dbraw/zinc/09/58/20/563095820.db2.gz	CHVSZADBLIGXGE-UHFFFAOYSA-N	0	1	442.451	1.460	1	0		IDAFMN
COc1ccc2c(c1)scc2[C@@H]([NH3+])C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@H]12	ZINC000040434614	563103704	/nfs/dbraw/zinc/10/37/04/563103704.db2.gz	YORLHZSEDHNXHU-QWQRMKEZSA-N	0	1	433.511	1.668	1	0		IDAFMN
COc1ccc2cc([C@@H]([NH3+])C(=O)N[C@H]3C(=O)N4C(C(=O)[O-])=C(C)CS[C@H]34)ccc2c1	ZINC000040676364	563105807	/nfs/dbraw/zinc/10/58/07/563105807.db2.gz	YRGZQHXUINGJFN-GQIGUUNPSA-N	0	1	427.482	1.607	1	0		IDAFMN
Cc1c2c(cc(=O)n1CCCC(=O)N1CC[NH+](C)CC1)[n-]n(-c1ccccc1Cl)c2=O	ZINC000064448297	563153392	/nfs/dbraw/zinc/15/33/92/563153392.db2.gz	YYWQXACDBDCTHO-UHFFFAOYSA-N	0	1	443.935	1.997	1	0		IDAFMN
O=C([O-])/C=C/C(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5	ZINC000095558843	563181899	/nfs/dbraw/zinc/18/18/99/563181899.db2.gz	PFEQDDXFWNRQFD-QMCYYFQESA-N	0	1	440.496	1.082	1	0		IDAFMN
CC[C@H](N[C@@H](CC(C)C)C(=O)N[C@H]1CCCC[NH2+]CCCCCNC1=O)[P@@](=O)([O-])O	ZINC000003800920	562938228	/nfs/dbraw/zinc/93/82/28/562938228.db2.gz	RQNKISSEPZPZDA-OKZBNKHCSA-N	0	1	448.545	1.449	1	0		IDAFMN
CC[C@H](N[C@@H](CC(C)C)C(=O)N[C@H]1CCCC[NH2+]CCCCCNC1=O)[P@](=O)([O-])O	ZINC000003800920	562938229	/nfs/dbraw/zinc/93/82/29/562938229.db2.gz	RQNKISSEPZPZDA-OKZBNKHCSA-N	0	1	448.545	1.449	1	0		IDAFMN
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(=O)C(F)(F)F	ZINC000003933030	562939432	/nfs/dbraw/zinc/93/94/32/562939432.db2.gz	UHSWPGILSIWNHC-NUEKZKHPSA-N	0	1	443.422	1.209	1	0		IDAFMN
CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4cccnn43)n2)cc1	ZINC000014945898	563015425	/nfs/dbraw/zinc/01/54/25/563015425.db2.gz	RNDQOIVOIGWXEJ-UHFFFAOYSA-N	0	1	438.517	1.770	1	0		IDAFMN
CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(C(C)C)c2=O)CC1	ZINC000026392652	563031780	/nfs/dbraw/zinc/03/17/80/563031780.db2.gz	QEUSFNGPRZCERR-UHFFFAOYSA-N	0	1	430.553	1.945	1	0		IDAFMN
COc1ccc(/C=c2\[n-]c(=O)/c(=C/c3ccc(SCC[NH+](C)C)s3)[nH]c2=O)cc1	ZINC000026576870	563033837	/nfs/dbraw/zinc/03/38/37/563033837.db2.gz	MPDQBVHCWHAWDM-MZGHLJKDSA-N	0	1	429.567	1.445	1	0		IDAFMN
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc(C2CCCCC2)[nH]1)NC(=O)[C@H]1CCC(=O)C1	ZINC000028641106	563060249	/nfs/dbraw/zinc/06/02/49/563060249.db2.gz	WDSXKLORUSKPMN-SNRMKQJTSA-N	0	1	443.548	1.330	1	0		IDAFMN
CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCN(c2ccccc2)CC1	ZINC000028652682	563061209	/nfs/dbraw/zinc/06/12/09/563061209.db2.gz	RNWYDLCDLWENRX-UHFFFAOYSA-N	0	1	440.548	1.435	1	0		IDAFMN
CNP1(NC)=N[P@](NC)(N2CC2)=N[P@](NC)(N2CC2)=NP(NC)(NC)=N1	ZINC000028762645	563063907	/nfs/dbraw/zinc/06/39/07/563063907.db2.gz	ZBIHORSPSRNJIJ-CLJLJLNGSA-N	0	1	444.346	1.732	1	0		IDAFMN
COc1ccc2cc([C@@H]([NH3+])C(=O)N[C@H]3C(=O)N4C(C(=O)[O-])=C(C)CS[C@@H]34)ccc2c1	ZINC000029554759	563082108	/nfs/dbraw/zinc/08/21/08/563082108.db2.gz	YRGZQHXUINGJFN-GUXCAODWSA-N	0	1	427.482	1.607	1	0		IDAFMN
COc1cc2c(cc1OC(=O)C[C@H](C)O)[C@@H]1[C@H]3C(=C[C@H](OC(C)=O)[C@H]1OC2=O)CCN3C	ZINC000034208206	563085880	/nfs/dbraw/zinc/08/58/80/563085880.db2.gz	FBWQZJWDTGIERI-WTYVRIDZSA-N	0	1	445.468	1.570	1	0		IDAFMN
O=C(NCCC[NH+]1CCOCC1)c1c(=O)[nH]c2cc(Cc3ccc(F)cc3)cnc2c1[O-]	ZINC000035952065	563090513	/nfs/dbraw/zinc/09/05/13/563090513.db2.gz	BHXFBFQYRNSRAO-UHFFFAOYSA-N	0	1	440.475	1.811	1	0		IDAFMN
CC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1Cc1cocn1	ZINC000036519984	563095621	/nfs/dbraw/zinc/09/56/21/563095621.db2.gz	IDFBTAAZGBQVFK-UHFFFAOYSA-N	0	1	427.436	1.757	1	0		IDAFMN
Cn1ccc(CN2CCn3c(=O)c(O)c(C(=O)NCc4ccc(F)cc4)nc3C2(C)C)n1	ZINC000036520086	563095634	/nfs/dbraw/zinc/09/56/34/563095634.db2.gz	PRHMKGKKUARNFW-UHFFFAOYSA-N	0	1	440.479	1.502	1	0		IDAFMN
CC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1Cc1cnccn1	ZINC000036519985	563095657	/nfs/dbraw/zinc/09/56/57/563095657.db2.gz	MEVBQALABMFNRZ-UHFFFAOYSA-N	0	1	438.463	1.559	1	0		IDAFMN
N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C1=O	ZINC000058548082	563144359	/nfs/dbraw/zinc/14/43/59/563144359.db2.gz	XBRDFIWPISFORX-ROUUACIJSA-N	0	1	444.438	1.107	1	0		IDAFMN
CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]cnc1C(=O)N1CCNCC1	ZINC000061959246	563151983	/nfs/dbraw/zinc/15/19/83/563151983.db2.gz	LUCUXTDUHAFNLH-INIZCTEOSA-N	0	1	427.505	1.138	3	0		IDAFMN
CN1CCN(CCNC(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1	ZINC000084689191	563176104	/nfs/dbraw/zinc/17/61/04/563176104.db2.gz	LTXGZFJBIQKXCW-UHFFFAOYSA-N	0	1	428.512	1.247	1	0		IDAFMN
C[C@H](c1nc(-c2ccc(NS(C)(=O)=O)cc2Cl)no1)[C@H](N)C(=O)N1CC[C@@H](F)C1	ZINC000014948480	563015558	/nfs/dbraw/zinc/01/55/58/563015558.db2.gz	MDVHQIPDBSXOAI-RBZYPMLTSA-N	0	1	445.904	1.763	1	0		IDAFMN
Cc1ccc(N2CCN(CCn3cnc4c5nc(-c6ccco6)nn5c(N)nc43)CC2)nc1	ZINC000028877551	563067727	/nfs/dbraw/zinc/06/77/27/563067727.db2.gz	NLXPCWCXVPCKFR-UHFFFAOYSA-N	0	1	444.503	1.842	1	0		IDAFMN
Nc1nc2c(cnn2CCN2CCN(c3ccc(O)cc3)CC2)c2nc(-c3ccco3)nn21	ZINC000028891753	563068383	/nfs/dbraw/zinc/06/83/83/563068383.db2.gz	IKQDPYIPJVIVST-UHFFFAOYSA-N	0	1	445.487	1.844	1	0		IDAFMN
CC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1Cc1cc[nH]n1	ZINC000035017622	563088913	/nfs/dbraw/zinc/08/89/13/563088913.db2.gz	DKHKLJBJHQLMDT-UHFFFAOYSA-N	0	1	426.452	1.492	1	0		IDAFMN
COc1cc(-c2cc(=O)c3c(O)c(O[C@H]4C[C@@H](O)[C@H](O)[C@H](C)O4)c(O)cc3o2)ccc1O	ZINC000042888542	563115993	/nfs/dbraw/zinc/11/59/93/563115993.db2.gz	LORQHSFIQJBWBT-DKVFDIBASA-N	0	1	446.408	1.821	1	0		IDAFMN
COc1ccc2[nH]c(=O)c(-c3nc4c([nH]3)CN(C(=O)CN3CCN(C)CC3)CC4)cc2c1	ZINC000084596894	563174087	/nfs/dbraw/zinc/17/40/87/563174087.db2.gz	MGMQJDRQKSPJAX-UHFFFAOYSA-N	0	1	436.516	1.059	1	0		IDAFMN
CNC(=O)c1ccnc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c[nH]c21	ZINC000095595320	563191282	/nfs/dbraw/zinc/19/12/82/563191282.db2.gz	IDBOWAFTILVACR-CQSZACIVSA-N	0	1	433.468	1.478	1	0		IDAFMN
Cc1ccn(-c2[nH]cnc3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)cnc2-3)n1	ZINC000095596250	563191461	/nfs/dbraw/zinc/19/14/61/563191461.db2.gz	MHUPNRBLJLIILS-UHFFFAOYSA-N	0	1	443.467	1.619	1	0		IDAFMN
O=C1CN(CCCCN2CCN(c3cccc4c3COC=CO4)CC2)C(=O)[C@@H]2CCCN12	ZINC000095607680	563194129	/nfs/dbraw/zinc/19/41/29/563194129.db2.gz	OLUSTZZUPLOXMW-NRFANRHFSA-N	0	1	440.544	1.802	1	0		IDAFMN
C[C@H](NC(=O)c1[nH]cnc1C(=O)NCC(=O)OCc1ccccc1)C(=O)OC(C)(C)C	ZINC000015937370	563019176	/nfs/dbraw/zinc/01/91/76/563019176.db2.gz	LDIQWDNBCCDRQR-ZDUSSCGKSA-N	0	1	430.461	1.343	3	0		IDAFMN
CCC(=O)N(c1ccccc1)C1(COC)CCN([C@@H](C)Cn2nnn(CC)c2=O)CC1	ZINC000026377239	563031153	/nfs/dbraw/zinc/03/11/53/563031153.db2.gz	BKHYJILOADVNME-SFHVURJKSA-N	0	1	430.553	1.772	1	0		IDAFMN
[NH3+][C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3ncccn3)CC[C@H]12)c1ccccc1	ZINC000026380014	563031370	/nfs/dbraw/zinc/03/13/70/563031370.db2.gz	JEGZGHYCKQOMCY-YUELXQCFSA-N	0	1	425.470	1.054	1	0		IDAFMN
NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000026508961	563033094	/nfs/dbraw/zinc/03/30/94/563033094.db2.gz	YEEILQVFWQCOPU-WOJBJXKFSA-N	0	1	435.484	1.460	1	0		IDAFMN
COC(=O)COc1ccc(CC[NH2+]C[C@@H](O)c2ccc(O)c([N-]S(C)(=O)=O)c2)cc1	ZINC000026829764	563037157	/nfs/dbraw/zinc/03/71/57/563037157.db2.gz	VQPXWWJGBZIGAX-LJQANCHMSA-N	0	1	438.502	1.181	1	0		IDAFMN
COc1ccccc1OC[C@@H](O)CNCC(=O)Nc1ccc(C2=NNC(=O)C[C@@H]2C)cc1	ZINC000027104395	563039793	/nfs/dbraw/zinc/03/97/93/563039793.db2.gz	LXDCNDLUKHSICP-YJBOKZPZSA-N	0	1	440.500	1.523	1	0		IDAFMN
Nc1nc2c(ncn2CCN2CCN(c3nccs3)CC2)c2nc(-c3ccco3)nn21	ZINC000028877545	563067600	/nfs/dbraw/zinc/06/76/00/563067600.db2.gz	HMJRGPIJKOXUBT-UHFFFAOYSA-N	0	1	436.505	1.595	1	0		IDAFMN
Nc1nc2c(ncn2CCN2CCN(c3ncc(F)cn3)CC2)c2nc(-c3ccco3)nn21	ZINC000028877541	563067619	/nfs/dbraw/zinc/06/76/19/563067619.db2.gz	PVKNTWSESSTNDD-UHFFFAOYSA-N	0	1	449.454	1.068	1	0		IDAFMN
Cn1nccc1CN1CCn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc2C1(C)C	ZINC000035017624	563088883	/nfs/dbraw/zinc/08/88/83/563088883.db2.gz	MCYWXDDZAGMCPX-UHFFFAOYSA-N	0	1	440.479	1.502	1	0		IDAFMN
Cc1nnc(CN2CCn3c(=O)c(O)c(C(=O)NCc4ccc(F)cc4)nc3C2(C)C)o1	ZINC000035017641	563088892	/nfs/dbraw/zinc/08/88/92/563088892.db2.gz	CQGJPRCGYMTYET-UHFFFAOYSA-N	0	1	442.451	1.460	1	0		IDAFMN
COC[C@H]1C[C@H](C(=O)NC[C@H]2CCCO2)CN(Cc2nc(N3CCOCC3)oc2C)C1	ZINC000071341597	563162667	/nfs/dbraw/zinc/16/26/67/563162667.db2.gz	KOTMCBWMCHYLBT-GBESFXJTSA-N	0	1	436.553	1.199	1	0		IDAFMN
CCNS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F	ZINC000072182206	563167401	/nfs/dbraw/zinc/16/74/01/563167401.db2.gz	RTDVZLFSPUOPPQ-UHFFFAOYSA-N	0	1	426.405	1.763	1	0		IDAFMN
CC(C)(C)OC(=O)CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O	ZINC000073141661	563169069	/nfs/dbraw/zinc/16/90/69/563169069.db2.gz	ZDOVRILAODNARX-UHFFFAOYSA-N	0	1	436.490	1.337	1	0		IDAFMN
Cc1ncn(-c2[nH]cnc3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)cnc2-3)n1	ZINC000095597135	563191806	/nfs/dbraw/zinc/19/18/06/563191806.db2.gz	ODWAIJFOWSPZJX-UHFFFAOYSA-N	0	1	444.455	1.014	1	0		IDAFMN
COc1cc(O)c2c(c1)oc(-c1ccc(O)cc1)c(O[C@@H]1O[C@](C)(O)C[C@@H](O)[C@H]1O)c2=O	ZINC000095913545	291323732	/nfs/dbraw/zinc/32/37/32/291323732.db2.gz	NRZJKIBAKVYSDO-YFNREYABSA-N	0	1	446.408	1.435	1	0	biogenic,in-vitro	IDAFMN
O=C(NC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12)C(F)(F)F	ZINC000008711600	556201488	/nfs/dbraw/zinc/20/14/88/556201488.db2.gz	ZVSWFVHJTZRKAD-LSSIXWDNSA-N	0	1	445.191	1.941	2	0		IDAFMN
O=C([O-])CCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5	ZINC000000575641	562918153	/nfs/dbraw/zinc/91/81/53/562918153.db2.gz	ODRUHVAIPQOIPH-KSNURAHNSA-N	0	1	442.512	1.306	1	0		IDAFMN
COc1cc2c(cc1OC(=O)C[C@H](C)O)[C@@H]1[C@H]3C(=C[C@H](OC(C)=O)[C@@H]1OC2=O)CCN3C	ZINC000001622331	562923237	/nfs/dbraw/zinc/92/32/37/562923237.db2.gz	FBWQZJWDTGIERI-WFARRKFPSA-N	0	1	445.468	1.570	1	0		IDAFMN
O=C(c1cnn(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1)c1ccccc1O	ZINC000003434642	562935850	/nfs/dbraw/zinc/93/58/50/562935850.db2.gz	JVYJOFFDIQOMIL-UHFFFAOYSA-N	0	1	441.465	1.529	3	0		IDAFMN
O=C([O-])CCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5	ZINC000003775899	562937733	/nfs/dbraw/zinc/93/77/33/562937733.db2.gz	ODRUHVAIPQOIPH-WRQPYSRYSA-N	0	1	442.512	1.306	1	0		IDAFMN
COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CC[C@@H](O)C2)C1	ZINC000003783356	562937833	/nfs/dbraw/zinc/93/78/33/562937833.db2.gz	LHUIHXOQXLITOP-HUUCEWRRSA-N	0	1	430.332	1.882	1	0		IDAFMN
Nc1nc(N2CCN3C[C@@H](CNc4ncccn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn21	ZINC000013585873	562995127	/nfs/dbraw/zinc/99/51/27/562995127.db2.gz	PZYXMUMPLDRAAD-CABCVRRESA-N	0	1	447.507	1.164	1	0		IDAFMN
C[C@H](c1nc(-c2ccc(S(C)(=O)=O)cc2Cl)no1)[C@H](N)C(=O)N1CC[C@H](F)C1	ZINC000014948487	563015547	/nfs/dbraw/zinc/01/55/47/563015547.db2.gz	IAGPOWLWJPTTOM-BHDSKKPTSA-N	0	1	430.889	1.795	1	0		IDAFMN
C[C@H](NC(=O)c1nc[nH]c1C(=O)NCC(=O)OC(C)(C)C)C(=O)OCc1ccccc1	ZINC000015937368	563019158	/nfs/dbraw/zinc/01/91/58/563019158.db2.gz	OTGXKWXFCZWULK-ZDUSSCGKSA-N	0	1	430.461	1.343	3	0		IDAFMN
O=C([O-])C[C@@H](NC(=O)c1ccc(CCC(=O)NC2=[NH+]CCCN2)s1)c1cccnc1	ZINC000026150637	563029016	/nfs/dbraw/zinc/02/90/16/563029016.db2.gz	VTJWAOVRSHEKTB-OAHLLOKOSA-N	0	1	429.502	1.487	1	0		IDAFMN
C[C@H](C(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)C2=N)cc1)N(C)C	ZINC000028087020	563050193	/nfs/dbraw/zinc/05/01/93/563050193.db2.gz	QTZGKGSWZFDSDM-QGZVFWFLSA-N	0	1	449.621	1.869	1	0		IDAFMN
O=C([O-])[C@H]1CCCN1C(=O)C[NH2+]CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000028106992	563050748	/nfs/dbraw/zinc/05/07/48/563050748.db2.gz	WPGNBXOKKGNCRD-VQTJNVASSA-N	0	1	437.496	1.262	1	0		IDAFMN
O=C(CCOc1ccc(C(=O)N2CCNCC2)cc1)N1CCC(Cc2c[nH]cn2)CC1	ZINC000028570885	563059127	/nfs/dbraw/zinc/05/91/27/563059127.db2.gz	WECKZQVIMSFZDE-UHFFFAOYSA-N	0	1	425.533	1.705	1	0		IDAFMN
CC(C)(CN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O)NS(C)(=O)=O	ZINC000029481663	563081096	/nfs/dbraw/zinc/08/10/96/563081096.db2.gz	AIUOAJXLJKOZEE-AEFFLSMTSA-N	0	1	429.608	1.338	1	0		IDAFMN
CCCS(=O)(=O)N(CCNS(C)(=O)=O)[C@@H]1CCN2CCc3ccccc3[C@@H]2C1	ZINC000029487098	563081384	/nfs/dbraw/zinc/08/13/84/563081384.db2.gz	VOKPZGOVCXDDJQ-MJGOQNOKSA-N	0	1	429.608	1.339	1	0		IDAFMN
O=c1cc(-c2ccccc2)oc2cc(OC[C@H](O)CN[C@H]3CCS(=O)(=O)C3)ccc12	ZINC000029551040	563081942	/nfs/dbraw/zinc/08/19/42/563081942.db2.gz	KJXXTBHKQXLZNL-DLBZAZTESA-N	0	1	429.494	1.976	1	0		IDAFMN
C[N@H+](CCOc1ccccc1[N-]S(C)(=O)=O)CCc1ccc(NS(C)(=O)=O)cc1	ZINC000040503822	563104179	/nfs/dbraw/zinc/10/41/79/563104179.db2.gz	OQMMEJNMMROTJM-UHFFFAOYSA-N	0	1	441.575	1.983	1	0		IDAFMN
C[N@@H+](CCOc1ccccc1[N-]S(C)(=O)=O)CCc1ccc(NS(C)(=O)=O)cc1	ZINC000040503822	563104181	/nfs/dbraw/zinc/10/41/81/563104181.db2.gz	OQMMEJNMMROTJM-UHFFFAOYSA-N	0	1	441.575	1.983	1	0		IDAFMN
CN1CCN(c2nc3ccc(Cl)cc3c(NCCS(=O)(=O)N3CCCC3)n2)CC1	ZINC000045339213	563131850	/nfs/dbraw/zinc/13/18/50/563131850.db2.gz	FTXSKGRNFONYGV-UHFFFAOYSA-N	0	1	438.985	1.873	1	0		IDAFMN
CNC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc1-2	ZINC000053099204	563141007	/nfs/dbraw/zinc/14/10/07/563141007.db2.gz	ZZHLJJZYXUQIBQ-UHFFFAOYSA-N	0	1	432.532	1.831	1	0		IDAFMN
N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O	ZINC000058541862	563144316	/nfs/dbraw/zinc/14/43/16/563144316.db2.gz	JEQZLTRYTKQZEH-ROUUACIJSA-N	0	1	442.903	1.482	1	0		IDAFMN
CC(C)(C)C[C@@H](N)C(=O)N1N=CC[C@H]1C(=O)NCc1cc(Cl)ccc1-n1cnnn1	ZINC000068197096	563161151	/nfs/dbraw/zinc/16/11/51/563161151.db2.gz	YBCVWFLCGXHUJN-ZBFHGGJFSA-N	0	1	432.916	1.282	1	0		IDAFMN
CC(C)C[C@H](NC(=O)c1ccc(N2CCN(C)CC2)cc1)C(=O)N1CC[C@H]2OCC(=O)[C@H]21	ZINC000096170012	563195528	/nfs/dbraw/zinc/19/55/28/563195528.db2.gz	ZGACQESRYLTKBU-KSEOMHKRSA-N	0	1	442.560	1.152	1	0		IDAFMN
O=C(NC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12)C(F)(F)F	ZINC000008711601	556201383	/nfs/dbraw/zinc/20/13/83/556201383.db2.gz	ZVSWFVHJTZRKAD-KZTGVZKYSA-N	0	1	445.191	1.941	2	0		IDAFMN
CC[C@H](N[C@@H](CC(C)C)C(=O)N[C@H]1CCC[NH2+]CCCCCCNC1=O)[P@@](=O)([O-])O	ZINC000003800922	562938215	/nfs/dbraw/zinc/93/82/15/562938215.db2.gz	MVMGKEPJDKULDE-OKZBNKHCSA-N	0	1	448.545	1.449	1	0		IDAFMN
CC[C@H](N[C@@H](CC(C)C)C(=O)N[C@H]1CCC[NH2+]CCCCCCNC1=O)[P@](=O)([O-])O	ZINC000003800922	562938216	/nfs/dbraw/zinc/93/82/16/562938216.db2.gz	MVMGKEPJDKULDE-OKZBNKHCSA-N	0	1	448.545	1.449	1	0		IDAFMN
CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(Br)o4)CC3)nn2)CC1	ZINC000016689910	563021042	/nfs/dbraw/zinc/02/10/42/563021042.db2.gz	OSWDSOCONFJFBW-UHFFFAOYSA-N	0	1	449.353	1.936	3	0		IDAFMN
O=C([O-])C[C@H](NC(=O)c1ccc(CCC(=O)NC2=[NH+]CCCN2)s1)c1cccnc1	ZINC000026150644	563029049	/nfs/dbraw/zinc/02/90/49/563029049.db2.gz	VTJWAOVRSHEKTB-HNNXBMFYSA-N	0	1	429.502	1.487	1	0		IDAFMN
CC[C@H](N[C@@H](CC(C)C)C(=O)N[C@@H]1CCC[NH2+]CCCCCCNC1=O)[P@](=O)([O-])O	ZINC000026576921	563033817	/nfs/dbraw/zinc/03/38/17/563033817.db2.gz	MVMGKEPJDKULDE-FGTMMUONSA-N	0	1	448.545	1.449	1	0		IDAFMN
CC[C@H](N[C@@H](CC(C)C)C(=O)N[C@@H]1CCC[NH2+]CCCCCCNC1=O)[P@@](=O)([O-])O	ZINC000026576921	563033816	/nfs/dbraw/zinc/03/38/16/563033816.db2.gz	MVMGKEPJDKULDE-FGTMMUONSA-N	0	1	448.545	1.449	1	0		IDAFMN
Cn1c2ncn(CN3CCN(CCCSc4ccccc4)CC3)c2c(=O)n(C)c1=O	ZINC000027731987	563046244	/nfs/dbraw/zinc/04/62/44/563046244.db2.gz	GTJQBEALWKDHTH-UHFFFAOYSA-N	0	1	428.562	1.191	1	0		IDAFMN
O=C([O-])[C@H]1CCCN1C(=O)C[NH2+]CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000028106986	563050716	/nfs/dbraw/zinc/05/07/16/563050716.db2.gz	WPGNBXOKKGNCRD-WOJBJXKFSA-N	0	1	437.496	1.262	1	0		IDAFMN
CC[C@@H](C)[C@H](N)C(=O)OC[C@H](CCn1cnc2c1nc(N)[nH]c2=O)COC(=O)C(C)C	ZINC000029489991	563081600	/nfs/dbraw/zinc/08/16/00/563081600.db2.gz	FEBJVUUEYIIURT-MCIONIFRSA-N	0	1	436.513	1.236	1	0		IDAFMN
CCSCCc1c(O)n(Cc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2c1=O	ZINC000034090858	563085530	/nfs/dbraw/zinc/08/55/30/563085530.db2.gz	XNCMAMMIZNECDN-UHFFFAOYSA-N	0	1	441.513	1.096	1	0		IDAFMN
Cc1nc(CN2CCn3c(=O)c(O)c(C(=O)NCc4ccc(F)cc4)nc3C2(C)C)no1	ZINC000035017645	563088901	/nfs/dbraw/zinc/08/89/01/563088901.db2.gz	VBNUYFILDWGMIT-UHFFFAOYSA-N	0	1	442.451	1.460	1	0		IDAFMN
O=S(=O)(NCCCNS(=O)(=O)c1c(F)cccc1F)c1ccc2c(c1)OCCO2	ZINC000036380427	563093650	/nfs/dbraw/zinc/09/36/50/563093650.db2.gz	PWGUCNUXQHYXPI-UHFFFAOYSA-N	0	1	448.469	1.383	3	0		IDAFMN
Cn1c(=O)c(O)c(C(=O)NCc2ccc(F)cc2)nc1C(C)(C)NC(=O)c1ncccn1	ZINC000036925339	563095796	/nfs/dbraw/zinc/09/57/96/563095796.db2.gz	RHFNMJIJQXWOKR-UHFFFAOYSA-N	0	1	440.435	1.010	1	0		IDAFMN
Cn1c(=O)c(O)c(C(=O)NCc2ccc(F)cc2)nc1C(C)(C)NC(=O)c1cscn1	ZINC000040379795	563099633	/nfs/dbraw/zinc/09/96/33/563099633.db2.gz	PXTJWPDFMVIUTB-UHFFFAOYSA-N	0	1	445.476	1.677	1	0		IDAFMN
Cn1c(=O)c(O)c(C(=O)NCc2ccc(F)cc2)nc1C(C)(C)NC(=O)c1cnco1	ZINC000040392682	563099938	/nfs/dbraw/zinc/09/99/38/563099938.db2.gz	LTVWCFDOXHEYKS-UHFFFAOYSA-N	0	1	429.408	1.208	1	0		IDAFMN
CCN(C(=O)C[NH+](C)C)c1cccn2c(=O)c([O-])c(C(=O)NCc3ccc(F)cc3)nc12	ZINC000040972619	563114960	/nfs/dbraw/zinc/11/49/60/563114960.db2.gz	OABQDCYPKAONAC-UHFFFAOYSA-N	0	1	441.463	1.384	1	0		IDAFMN
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2	ZINC000053276122	563141611	/nfs/dbraw/zinc/14/16/11/563141611.db2.gz	JETXRGKNZYUPEF-UHFFFAOYSA-N	0	1	448.531	1.579	1	0		IDAFMN
Cc1cc(N2CCN(C)[C@@H](CC(=O)NCc3ccc4c(c3)OCO4)C2)nc(-n2ccnc2)n1	ZINC000058566155	563144575	/nfs/dbraw/zinc/14/45/75/563144575.db2.gz	LIAQATNNEGXRGJ-SFHVURJKSA-N	0	1	449.515	1.526	1	0		IDAFMN
CC(=O)N1C[C@@H](F)C[C@H]1c1nc(C(=O)NCc2ccc(F)c(Cl)c2)c(O)c(=O)n1C	ZINC000058592827	563145721	/nfs/dbraw/zinc/14/57/21/563145721.db2.gz	NYTDLCMIWTXHQU-FZMZJTMJSA-N	0	1	440.834	1.840	1	0		IDAFMN
CC[C@]12C=CC[N@H+]3CC[C@]4(c5ccccc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@H]1C(=O)OC)[C@@H]32	ZINC000085541641	291321573	/nfs/dbraw/zinc/32/15/73/291321573.db2.gz	PKGMBIOEGLBVKD-JBYPSEEJSA-N	0	1	426.513	1.490	1	0	biogenic,in-vitro	IDAFMN
Cc1cn(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)[nH]c1=O	ZINC000013490011	562990062	/nfs/dbraw/zinc/99/00/62/562990062.db2.gz	IMRAKTMELIHZOK-UHFFFAOYSA-N	0	1	426.439	1.998	1	0		IDAFMN
Cc1n[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O	ZINC000013490008	562990122	/nfs/dbraw/zinc/99/01/22/562990122.db2.gz	IGRIBIYYAXAWCQ-UHFFFAOYSA-N	0	1	427.427	1.393	1	0		IDAFMN
NC(=O)[C@H](Cc1cccs1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1	ZINC000013685282	563001151	/nfs/dbraw/zinc/00/11/51/563001151.db2.gz	KSZIQWXYUXMXOA-OALUTQOASA-N	0	1	439.541	1.344	1	0		IDAFMN
C[C@H]([NH3+])c1nc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])co1	ZINC000014964026	563016269	/nfs/dbraw/zinc/01/62/69/563016269.db2.gz	FBRCDLGEWAXPMI-IWEFOYFVSA-N	0	1	439.472	1.592	1	0	in-vitro	IDAFMN
N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1CC(=O)NCc1ccccc1-n1cncn1	ZINC000026826809	563037130	/nfs/dbraw/zinc/03/71/30/563037130.db2.gz	HBYFSEDQMHZTES-LEWJYISDSA-N	0	1	432.528	1.835	1	0		IDAFMN
CCC(=O)N(c1ccccc1)C1(COC(C)=O)CCN(CCn2nnn(CC)c2=O)CC1	ZINC000028096063	563050558	/nfs/dbraw/zinc/05/05/58/563050558.db2.gz	UFJWUBXZEGCWLS-UHFFFAOYSA-N	0	1	444.536	1.301	1	0		IDAFMN
COc1ccc2c(COC(=O)[C@@H]([NH3+])[C@H](OCc3ccccc3)C(=O)[O-])cc(=O)oc2c1	ZINC000028101980	563050624	/nfs/dbraw/zinc/05/06/24/563050624.db2.gz	UDZCBZATYSBTMU-PMACEKPBSA-N	0	1	427.409	1.842	1	0		IDAFMN
CS(=O)(=O)NCCCCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O	ZINC000029482472	563081217	/nfs/dbraw/zinc/08/12/17/563081217.db2.gz	RRRXXVWKMMZGCW-MJGOQNOKSA-N	0	1	429.608	1.339	1	0		IDAFMN
CCCC(=O)OC[C@H](CCn1cnc2c1nc(N)[nH]c2=O)COC(=O)[C@@H](N)[C@H](C)CC	ZINC000029484731	563081337	/nfs/dbraw/zinc/08/13/37/563081337.db2.gz	AWQICHCIONKAKT-IPYPFGDCSA-N	0	1	436.513	1.380	1	0		IDAFMN
CC[C@H](C)[C@H](N)C(=O)OC[C@@H](CCn1cnc2c1nc(N)[nH]c2=O)COC(=O)C(C)C	ZINC000029489988	563081534	/nfs/dbraw/zinc/08/15/34/563081534.db2.gz	FEBJVUUEYIIURT-IHRRRGAJSA-N	0	1	436.513	1.236	1	0		IDAFMN
O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cnc2c(-n3ccnn3)cc[nH]c1-2	ZINC000034821147	563088037	/nfs/dbraw/zinc/08/80/37/563088037.db2.gz	XHCKBAQSVAWVPC-UHFFFAOYSA-N	0	1	429.440	1.311	1	0		IDAFMN
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccccc1	ZINC000045288303	563128540	/nfs/dbraw/zinc/12/85/40/563128540.db2.gz	VXWBAUGGXWTQIZ-UNMCSNQZSA-N	0	1	430.512	1.805	1	0		IDAFMN
Cn1c(=O)c(O)c(C(=O)NCc2ccc(F)cc2)nc1[C@@H]1C[C@H](F)CN1Cc1ccon1	ZINC000058582717	563145180	/nfs/dbraw/zinc/14/51/80/563145180.db2.gz	YWYHIDAJZXGQKF-HOCLYGCPSA-N	0	1	445.426	1.828	1	0		IDAFMN
O=C([N-]c1ccn(CCC[NH2+]CCCN2CCCC2=O)c(=O)n1)OCc1ccccc1	ZINC000061936073	563150857	/nfs/dbraw/zinc/15/08/57/563150857.db2.gz	BRGPUEOIVNUYMH-UHFFFAOYSA-N	0	1	427.505	1.984	3	0		IDAFMN
CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O	ZINC000084738732	563178928	/nfs/dbraw/zinc/17/89/28/563178928.db2.gz	SPAOJPLBVAYAEK-ACRUOGEOSA-N	0	1	440.544	1.006	1	0		IDAFMN
Cc1nn(C)cc1-c1nc2c(ncc(Cl)c2N2CCN(Cc3ncn(C)n3)CC2)[nH]1	ZINC000095561443	563182390	/nfs/dbraw/zinc/18/23/90/563182390.db2.gz	PYHJSQTURRFLIU-UHFFFAOYSA-N	0	1	426.916	1.771	1	0		IDAFMN
O=C(NCc1ccc(CN2CCN(CCO)CC2)cc1)c1csc2nc[nH]c(=O)c12	ZINC000096933975	563199120	/nfs/dbraw/zinc/19/91/20/563199120.db2.gz	QFULYNQGRGWSJZ-UHFFFAOYSA-N	0	1	427.530	1.025	1	0		IDAFMN
CCCOC(=O)c1ccccc1N1CCN(CCCN2CC(=O)N3CCC[C@@H]3C2=O)CC1	ZINC000013861475	563012677	/nfs/dbraw/zinc/01/26/77/563012677.db2.gz	HJZFENSTBGTUCJ-OAQYLSRUSA-N	0	1	442.560	1.599	1	0		IDAFMN
[NH3+][C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3cnns3)CC[C@H]12)c1ccccc1	ZINC000026376274	563031084	/nfs/dbraw/zinc/03/10/84/563031084.db2.gz	IOCNHBJETDJDPE-HONMWMINSA-N	0	1	431.499	1.116	1	0		IDAFMN
CNP1(NC)=NP(NC)(NC)=N[P@](NC)(N2CC2)=NP(NC)(NC)=N1	ZINC000028762647	563063924	/nfs/dbraw/zinc/06/39/24/563063924.db2.gz	OJNUAMJJSBBKFS-UHFFFAOYSA-N	0	1	432.335	1.636	1	0		IDAFMN
CC[C@H](C)[C@H](N)C(=O)OC[C@H](CCn1cnc2c1nc(N)[nH]c2=O)COC(=O)C(C)C	ZINC000029489993	563081593	/nfs/dbraw/zinc/08/15/93/563081593.db2.gz	FEBJVUUEYIIURT-MJBXVCDLSA-N	0	1	436.513	1.236	1	0		IDAFMN
CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](N)COCc3ccccc3)CC2)c2ccccc21	ZINC000029547808	563081760	/nfs/dbraw/zinc/08/17/60/563081760.db2.gz	KYGJZARUWQDKNA-HXUWFJFHSA-N	0	1	443.569	1.871	1	0		IDAFMN
CNC(=O)c1ncc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c21	ZINC000034821178	563088152	/nfs/dbraw/zinc/08/81/52/563088152.db2.gz	WZSGGXYLZMXILD-UHFFFAOYSA-N	0	1	437.431	1.229	1	0		IDAFMN
CC[NH+](CC)CCN1CCn2c(=O)c([O-])c(C(=O)NCc3ccc(F)cc3)nc2C1(C)C	ZINC000036520153	563095807	/nfs/dbraw/zinc/09/58/07/563095807.db2.gz	SNEKHSBOTJOLDR-UHFFFAOYSA-N	0	1	445.539	1.911	1	0		IDAFMN
Cc1ccc(NC(=O)CN2C(=O)CC[C@H](NC(=O)[C@@H](N)Cc3ccccc3)C2=O)c(C)c1	ZINC000058541273	563144256	/nfs/dbraw/zinc/14/42/56/563144256.db2.gz	GMWOIXHXLHBKSC-ICSRJNTNSA-N	0	1	436.512	1.446	1	0		IDAFMN
COc1cc(N2CCOCC2)cn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12	ZINC000064526910	563154431	/nfs/dbraw/zinc/15/44/31/563154431.db2.gz	YLCZIGRLLGSSOZ-UHFFFAOYSA-N	0	1	428.420	1.314	1	0		IDAFMN
O=C(Cn1c(=O)c2cccn2c2cccnc21)NCCCN1CCN(c2ccccc2)CC1	ZINC000066148576	563159600	/nfs/dbraw/zinc/15/96/00/563159600.db2.gz	KMARMZLDSPVBTN-UHFFFAOYSA-N	0	1	444.539	1.978	3	0		IDAFMN
COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](CN2CC[C@@H](O)C2)C1	ZINC000013832127	563011313	/nfs/dbraw/zinc/01/13/13/563011313.db2.gz	LHUIHXOQXLITOP-LSDHHAIUSA-N	0	1	430.332	1.882	1	0		IDAFMN
Cc1ccc(S(=O)(=O)N[C@@H](Cc2cccc(C(N)N)c2)C(=O)N2CCCCC2)cc1	ZINC000019322665	563022567	/nfs/dbraw/zinc/02/25/67/563022567.db2.gz	UHXFBNSWVMZPBK-FQEVSTJZSA-N	0	1	430.574	1.813	1	0		IDAFMN
COc1ccccc1OC[C@H](O)CNCC(=O)Nc1ccc(C2=NNC(=O)CC2)cc1	ZINC000027105910	563039868	/nfs/dbraw/zinc/03/98/68/563039868.db2.gz	IVHMRKVRLRDQTD-QGZVFWFLSA-N	0	1	426.473	1.277	1	0		IDAFMN
COc1cc2[nH+]c(N3CCC(Nc4cnc(C(=O)[O-])c(N)n4)CC3)nc(N)c2cc1OC	ZINC000027524336	563042988	/nfs/dbraw/zinc/04/29/88/563042988.db2.gz	LIYNPJTUVWKIFC-UHFFFAOYSA-N	0	1	440.464	1.381	1	0		IDAFMN
CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2ccc(=O)n(CC)c2=O)CC1	ZINC000027983022	563048652	/nfs/dbraw/zinc/04/86/52/563048652.db2.gz	YIDNMHQREHYZGD-UHFFFAOYSA-N	0	1	442.560	1.954	1	0		IDAFMN
[NH3+][C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C(F)(F)F)CC[C@H]12)c1ccc(O)c(Cl)c1	ZINC000028256019	563052374	/nfs/dbraw/zinc/05/23/74/563052374.db2.gz	RGUBZLDQGSUGNR-JLLWLGSASA-N	0	1	433.770	1.436	1	0		IDAFMN
O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c1nccc2-n1nccn1	ZINC000034821145	563088085	/nfs/dbraw/zinc/08/80/85/563088085.db2.gz	MMGWFAKSILPXDJ-UHFFFAOYSA-N	0	1	429.440	1.311	1	0		IDAFMN
Cc1cc(N2CCN(C)[C@H](CC(=O)NCc3ccc4c(c3)OCO4)C2)nc(-n2ccnc2)n1	ZINC000035275905	563089806	/nfs/dbraw/zinc/08/98/06/563089806.db2.gz	LIAQATNNEGXRGJ-GOSISDBHSA-N	0	1	449.515	1.526	1	0		IDAFMN
CC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1Cc1cnco1	ZINC000036520084	563095683	/nfs/dbraw/zinc/09/56/83/563095683.db2.gz	NDYNDZNHTYFBJC-UHFFFAOYSA-N	0	1	427.436	1.757	1	0		IDAFMN
Cn1c(=O)c(O)c(C(=O)NCc2ccc(F)cc2)nc1C(C)(C)NC(=O)c1ccccn1	ZINC000036925341	563095824	/nfs/dbraw/zinc/09/58/24/563095824.db2.gz	AYYZVIZCPBKXCO-UHFFFAOYSA-N	0	1	439.447	1.615	1	0		IDAFMN
CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCN4CCC[C@@H]4C3)cc2)CC1	ZINC000061855059	563147084	/nfs/dbraw/zinc/14/70/84/563147084.db2.gz	KTNLUHAPMGPGFL-QGZVFWFLSA-N	0	1	427.592	1.576	3	0		IDAFMN
COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)N(C)C)c3F)cc21	ZINC000072182492	563167436	/nfs/dbraw/zinc/16/74/36/563167436.db2.gz	HOXNWDDOGXZKIW-UHFFFAOYSA-N	0	1	426.405	1.715	1	0		IDAFMN
CN(C)CCNS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1	ZINC000095573432	563185100	/nfs/dbraw/zinc/18/51/00/563185100.db2.gz	HULMMZPBCUBDJN-UHFFFAOYSA-N	0	1	441.517	1.213	1	0	in-vitro	IDAFMN
Nc1nc(N2CCN3C[C@@H](CNc4ncccn4)CC[C@H]3C2)cc2nc(-c3ccco3)nn21	ZINC000013585877	562995150	/nfs/dbraw/zinc/99/51/50/562995150.db2.gz	DSQLBFMGYPCTIQ-CVEARBPZSA-N	0	1	446.519	1.769	1	0		IDAFMN
NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1	ZINC000013685263	563001136	/nfs/dbraw/zinc/00/11/36/563001136.db2.gz	SNSCKCQNLPRLMF-VXKWHMMOSA-N	0	1	447.539	1.673	1	0		IDAFMN
CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)NCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C	ZINC000015924590	563018368	/nfs/dbraw/zinc/01/83/68/563018368.db2.gz	QCCVDYYRHUPMCS-ZDUSSCGKSA-N	0	1	438.525	1.967	3	0		IDAFMN
CCC(=O)N(c1ccccc1)C1(COC)CCN(C[C@H](C)n2nnn(CC)c2=O)CC1	ZINC000026388178	563031615	/nfs/dbraw/zinc/03/16/15/563031615.db2.gz	VARHBOGGUMCOCH-SFHVURJKSA-N	0	1	430.553	1.945	1	0		IDAFMN
CCC(=O)N(c1ccccc1)C1(COC)CCN(C[C@@H](C)n2nnn(CC)c2=O)CC1	ZINC000026388174	563031626	/nfs/dbraw/zinc/03/16/26/563031626.db2.gz	VARHBOGGUMCOCH-GOSISDBHSA-N	0	1	430.553	1.945	1	0		IDAFMN
CCCC(=O)OC[C@H](CCn1cnc2c1nc(N)[nH]c2=O)COC(=O)[C@@H](N)[C@@H](C)CC	ZINC000029484725	563081280	/nfs/dbraw/zinc/08/12/80/563081280.db2.gz	AWQICHCIONKAKT-YDHLFZDLSA-N	0	1	436.513	1.380	1	0		IDAFMN
CCCC(=O)OC[C@@H](CCn1cnc2c1nc(N)[nH]c2=O)COC(=O)[C@@H](N)[C@@H](C)CC	ZINC000029484722	563081341	/nfs/dbraw/zinc/08/13/41/563081341.db2.gz	AWQICHCIONKAKT-GUTXKFCHSA-N	0	1	436.513	1.380	1	0		IDAFMN
CCS(=O)(=O)NCCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)CC	ZINC000029486710	563081378	/nfs/dbraw/zinc/08/13/78/563081378.db2.gz	GJSQZJJOINQDNI-MJGOQNOKSA-N	0	1	429.608	1.339	1	0		IDAFMN
CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](N)COCc3ccccc3)CC2)c2ccccc21	ZINC000029547804	563081712	/nfs/dbraw/zinc/08/17/12/563081712.db2.gz	KYGJZARUWQDKNA-FQEVSTJZSA-N	0	1	443.569	1.871	1	0		IDAFMN
C[C@@H]1CN(C(=O)C(=O)c2c[nH]c3c2nccc3-n2nccn2)CCN1C(=O)c1ccccc1	ZINC000034821159	563088172	/nfs/dbraw/zinc/08/81/72/563088172.db2.gz	LKULNNBUWWEKRR-OAHLLOKOSA-N	0	1	443.467	1.699	1	0		IDAFMN
COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CC[C@H](O)C2)C1	ZINC000036221132	563092154	/nfs/dbraw/zinc/09/21/54/563092154.db2.gz	LHUIHXOQXLITOP-CABCVRRESA-N	0	1	430.332	1.882	1	0		IDAFMN
Cn1c(=O)c(O)c(C(=O)NCc2ccc(F)cc2)nc1C(C)(C)NC(=O)c1cccnn1	ZINC000036925338	563095749	/nfs/dbraw/zinc/09/57/49/563095749.db2.gz	INZUGTGTHGBOFW-UHFFFAOYSA-N	0	1	440.435	1.010	1	0		IDAFMN
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3c[nH]nn3)C[C@@]12C	ZINC000040917626	563111637	/nfs/dbraw/zinc/11/16/37/563111637.db2.gz	WEHYIFKRVMCWNG-SYWBPTBASA-N	0	1	433.461	1.525	1	0		IDAFMN
COc1ccc2[nH]cc(/C=c3\[nH]c(=O)/c(=C/c4c[nH]c5ccc(OC)cc45)[nH]c3=O)c2c1	ZINC000040918211	563111734	/nfs/dbraw/zinc/11/17/34/563111734.db2.gz	KJPRBXRNKGEUOI-BDVMWVQXSA-N	0	1	428.448	1.701	1	0		IDAFMN
Cc1[nH+]c(N)ccc1CNC(=O)CCN1c2ccccc2SC[C@@H](NCC(=O)[O-])C1=O	ZINC000043059106	563117465	/nfs/dbraw/zinc/11/74/65/563117465.db2.gz	COVYNCWQXSDWGG-OAHLLOKOSA-N	0	1	443.529	1.160	1	0		IDAFMN
O=C(NCc1ccc(F)cc1)c1nc2c(Cl)cc(N3CCOCC3)cn2c(=O)c1O	ZINC000064548554	563155401	/nfs/dbraw/zinc/15/54/01/563155401.db2.gz	ISTSAPNDYCXGDZ-UHFFFAOYSA-N	0	1	432.839	1.959	1	0		IDAFMN
O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCN(CCF)CC2)C(=O)N1	ZINC000073200243	563170358	/nfs/dbraw/zinc/17/03/58/563170358.db2.gz	BRXGWWVUCIZYMM-UHFFFAOYSA-N	0	1	426.448	1.627	1	0		IDAFMN
O=C([O-])/C=C/C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5	ZINC000095558842	563181854	/nfs/dbraw/zinc/18/18/54/563181854.db2.gz	PFEQDDXFWNRQFD-XWZTWPMTSA-N	0	1	440.496	1.082	1	0		IDAFMN
CC[N@H+]1[C@H]2Cn3c(=O)c(/C=C/c4ccccc4)ccc3[C@@H]1[C@H](C(=O)N1CCOCC1)[C@H]2CO	ZINC000095879967	563194838	/nfs/dbraw/zinc/19/48/38/563194838.db2.gz	BWDOSFUSYXQLJO-CQJUYQQYSA-N	0	1	449.551	1.861	1	0		IDAFMN
CCN1[C@H]2Cn3c(=O)c(/C=C/c4ccccc4)ccc3[C@@H]1[C@H](C(=O)N1CCOCC1)[C@H]2CO	ZINC000095879967	563194840	/nfs/dbraw/zinc/19/48/40/563194840.db2.gz	BWDOSFUSYXQLJO-CQJUYQQYSA-N	0	1	449.551	1.861	1	0		IDAFMN
Cc1noc(-c2ccccc2NC(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)n1	ZINC000000598719	562918497	/nfs/dbraw/zinc/91/84/97/562918497.db2.gz	AYAHZTBEGZFJCD-UHFFFAOYSA-N	0	1	437.522	1.855	1	0		IDAFMN
Nc1nc(N2CCN3C[C@H](CNc4ncccn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn21	ZINC000013585875	562995088	/nfs/dbraw/zinc/99/50/88/562995088.db2.gz	PZYXMUMPLDRAAD-GJZGRUSLSA-N	0	1	447.507	1.164	1	0		IDAFMN
Nc1nc(NC[C@H]2CC[C@@H]3CN(c4ncccn4)CCN3C2)nc2nc(-c3ccco3)nn21	ZINC000013585888	562995156	/nfs/dbraw/zinc/99/51/56/562995156.db2.gz	BBVRFFOGAIOFTE-HUUCEWRRSA-N	0	1	447.507	1.164	1	0		IDAFMN
Nc1nc(N2CCN3C[C@@H](COc4ccccn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn21	ZINC000013585834	562995176	/nfs/dbraw/zinc/99/51/76/562995176.db2.gz	XSSSZWNOKWNALH-HOTGVXAUSA-N	0	1	447.503	1.736	1	0		IDAFMN
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1	ZINC000013737692	563002726	/nfs/dbraw/zinc/00/27/26/563002726.db2.gz	PJSUMIASTMIDFN-FKBYEOEOSA-N	0	1	439.556	1.988	1	0		IDAFMN
C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](C)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1	ZINC000015937375	563019164	/nfs/dbraw/zinc/01/91/64/563019164.db2.gz	HCJVAFQTTGRFCO-KBPBESRZSA-N	0	1	444.488	1.731	3	0		IDAFMN
CS(=O)(=O)Nc1ccc(N2CCN(C[C@@H](O)CONC(C3CC3)C3CC3)CC2)cc1	ZINC000026726971	563035857	/nfs/dbraw/zinc/03/58/57/563035857.db2.gz	CHTQMTFTQMLIBL-HXUWFJFHSA-N	0	1	438.594	1.251	1	0		IDAFMN
CC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1Cc1cn[nH]c1	ZINC000035017626	563088885	/nfs/dbraw/zinc/08/88/85/563088885.db2.gz	AMRZCSVAERLSTN-UHFFFAOYSA-N	0	1	426.452	1.492	1	0		IDAFMN
O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1cnc2ccccc2n1	ZINC000040395545	563100865	/nfs/dbraw/zinc/10/08/65/563100865.db2.gz	XRFKHTCILVHJLX-UHFFFAOYSA-N	0	1	430.512	1.788	1	0		IDAFMN
COc1ccc2cc([C@@H]([NH3+])C(=O)N[C@@H]3C(=O)N4C(C(=O)[O-])=C(C)CS[C@H]34)ccc2c1	ZINC000040676362	563105850	/nfs/dbraw/zinc/10/58/50/563105850.db2.gz	YRGZQHXUINGJFN-JXXFODFXSA-N	0	1	427.482	1.607	1	0		IDAFMN
N[C@H](CO)C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1	ZINC000095564118	563183077	/nfs/dbraw/zinc/18/30/77/563183077.db2.gz	SAJGNNIHYOWVDB-HXUWFJFHSA-N	0	1	434.500	1.982	1	0		IDAFMN
Nc1nc(NC[C@@H]2CC[C@@H]3CN(c4ncccn4)CCN3C2)nc2nc(-c3ccco3)nn21	ZINC000013585885	562995121	/nfs/dbraw/zinc/99/51/21/562995121.db2.gz	BBVRFFOGAIOFTE-LSDHHAIUSA-N	0	1	447.507	1.164	1	0		IDAFMN
Nc1nc(N2CCN3C[C@@H](COc4ccncc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn21	ZINC000013585848	562995134	/nfs/dbraw/zinc/99/51/34/562995134.db2.gz	LQXFZCGWDUOTIA-HOTGVXAUSA-N	0	1	447.503	1.736	1	0		IDAFMN
Nc1nc(N2CCN3C[C@@H](COc4cccnc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn21	ZINC000013585844	562995188	/nfs/dbraw/zinc/99/51/88/562995188.db2.gz	KHVFGJJNDRNHLI-HOTGVXAUSA-N	0	1	447.503	1.736	1	0		IDAFMN
CCCn1nnn(CCN2CCC(COC)(N(C(=O)CC)c3ccccc3)CC2)c1=O	ZINC000026381545	563031468	/nfs/dbraw/zinc/03/14/68/563031468.db2.gz	JEYSRQUNMALXOA-UHFFFAOYSA-N	0	1	430.553	1.774	1	0		IDAFMN
CCC(=O)N(c1ccccc1)C1(COC)CCN(CCCn2nnn(CC)c2=O)CC1	ZINC000026388541	563031654	/nfs/dbraw/zinc/03/16/54/563031654.db2.gz	JVZYLKRZXFUJDH-UHFFFAOYSA-N	0	1	430.553	1.774	1	0		IDAFMN
COc1ccccc1OC[C@@H](O)CNCC(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1	ZINC000027104403	563039810	/nfs/dbraw/zinc/03/98/10/563039810.db2.gz	LXDCNDLUKHSICP-QAPCUYQASA-N	0	1	440.500	1.523	1	0		IDAFMN
COc1ccc2c(c1)scc2[C@@H]([NH3+])C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@@H]12	ZINC000029553725	563081998	/nfs/dbraw/zinc/08/19/98/563081998.db2.gz	YORLHZSEDHNXHU-LBTNJELSSA-N	0	1	433.511	1.668	1	0		IDAFMN
CN1CCN(c2ccnc(-n3ccnc3)n2)[C@H](CC(=O)NCc2ccc3c(c2)OCO3)C1	ZINC000035273985	563089756	/nfs/dbraw/zinc/08/97/56/563089756.db2.gz	GSOOHDJMKOKFNJ-QGZVFWFLSA-N	0	1	435.488	1.218	1	0		IDAFMN
c1cn(-c2nsc(N(CCC[NH2+]Cc3ccc4c(c3)OCO4)Cc3nn[n-]n3)n2)cn1	ZINC000035849744	563090206	/nfs/dbraw/zinc/09/02/06/563090206.db2.gz	FSCSPPININELPG-UHFFFAOYSA-N	0	1	440.493	1.152	1	0		IDAFMN
COc1ccc2c(c1)scc2[C@@H]([NH3+])C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@H]12	ZINC000040434612	563103688	/nfs/dbraw/zinc/10/36/88/563103688.db2.gz	YORLHZSEDHNXHU-HBUWYVDXSA-N	0	1	433.511	1.668	1	0		IDAFMN
Cn1nc(C(N)=O)c2c1-c1nc(NCc3cccc(N4CCN(C)CC4)c3)ncc1CC2	ZINC000045387634	563133911	/nfs/dbraw/zinc/13/39/11/563133911.db2.gz	HOJYIPVBRINFGF-UHFFFAOYSA-N	0	1	432.532	1.439	1	0		IDAFMN
Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCCn4cc(CO)cn4)cc[nH]c3=O)nc21	ZINC000049070761	563137786	/nfs/dbraw/zinc/13/77/86/563137786.db2.gz	MAKFAZZTXHJHQS-UHFFFAOYSA-N	0	1	449.515	1.864	1	0		IDAFMN
CC(=O)N[C@H]1CCN(c2ccc(C3=NO[C@H](CNS(=O)(=O)C(C)C)C3)cc2F)C1	ZINC000095921016	563195025	/nfs/dbraw/zinc/19/50/25/563195025.db2.gz	XCANXEILGPMNGT-HOTGVXAUSA-N	0	1	426.514	1.361	1	0	in-vitro	IDAFMN
CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1	ZINC000004001705	562940644	/nfs/dbraw/zinc/94/06/44/562940644.db2.gz	IVYILNCWJZLKLL-UHFFFAOYSA-N	0	1	433.486	1.835	3	0		IDAFMN
Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCCCc1cnc[nH]1	ZINC000008556579	562949608	/nfs/dbraw/zinc/94/96/08/562949608.db2.gz	KCFRTYKHQMPLIS-UHFFFAOYSA-N	0	1	443.529	1.571	1	0		IDAFMN
Cc1sc2nc(SCCCN3CCN(c4ncccn4)CC3)n(N)c(=O)c2c1C	ZINC000012356289	562981321	/nfs/dbraw/zinc/98/13/21/562981321.db2.gz	FBVVCNRRXMQYPZ-UHFFFAOYSA-N	0	1	431.591	1.883	1	0		IDAFMN
C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)NCCN2CCCC2)cc1Cl)C(F)(F)F	ZINC000013808765	563008877	/nfs/dbraw/zinc/00/88/77/563008877.db2.gz	QGVSLEINXMWQMT-OAHLLOKOSA-N	0	1	443.875	1.966	1	0		IDAFMN
CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]C2CCN(c3ccc(C(N)=O)cc3)CC2)ccc1O	ZINC000013862649	563013091	/nfs/dbraw/zinc/01/30/91/563013091.db2.gz	SKQVEPBWSASIEZ-FQEVSTJZSA-N	0	1	448.545	1.155	1	0		IDAFMN
C[C@H](c1nc(-c2ccc(NS(C)(=O)=O)cc2Cl)no1)[C@H](N)C(=O)N1CC[C@H](F)C1	ZINC000014948477	563015568	/nfs/dbraw/zinc/01/55/68/563015568.db2.gz	MDVHQIPDBSXOAI-BHDSKKPTSA-N	0	1	445.904	1.763	1	0		IDAFMN
CN([C@@H]1CCCCn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc21)S(C)(=O)=O	ZINC000014979540	563017275	/nfs/dbraw/zinc/01/72/75/563017275.db2.gz	OAWPADRFPQLCMW-CQSZACIVSA-N	0	1	438.481	1.134	1	0		IDAFMN
O=C1[C@@H](NS(=O)(=O)c2nc3cc(Cl)ccc3[n-]2)CCN1CCNc1cc[nH+]cc1	ZINC000025984457	563028046	/nfs/dbraw/zinc/02/80/46/563028046.db2.gz	AUVLFHMTQKVMQW-HNNXBMFYSA-N	0	1	434.909	1.603	1	0		IDAFMN
COc1ccccc1OC[C@H](O)CNCC(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1	ZINC000027104407	563039798	/nfs/dbraw/zinc/03/97/98/563039798.db2.gz	LXDCNDLUKHSICP-CRAIPNDOSA-N	0	1	440.500	1.523	1	0		IDAFMN
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc(C2CCCCC2)[nH]1)NC(=O)[C@@H]1CCC(=O)C1	ZINC000028640695	563060177	/nfs/dbraw/zinc/06/01/77/563060177.db2.gz	WDSXKLORUSKPMN-MNEFBYGVSA-N	0	1	443.548	1.330	1	0		IDAFMN
CCCS(=O)(=O)NCCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O	ZINC000029481279	563081157	/nfs/dbraw/zinc/08/11/57/563081157.db2.gz	CJTLTQKZMMVFDH-MJGOQNOKSA-N	0	1	429.608	1.339	1	0		IDAFMN
O=c1cc(-c2ccccc2)oc2cc(OC[C@@H](O)CN[C@@H]3CCS(=O)(=O)C3)ccc12	ZINC000029551026	563081901	/nfs/dbraw/zinc/08/19/01/563081901.db2.gz	KJXXTBHKQXLZNL-SJORKVTESA-N	0	1	429.494	1.976	1	0		IDAFMN
COc1ccc2cc([C@@H]([NH3+])C(=O)N[C@@H]3C(=O)N4C(C(=O)[O-])=C(C)CS[C@@H]34)ccc2c1	ZINC000029554766	563082127	/nfs/dbraw/zinc/08/21/27/563082127.db2.gz	YRGZQHXUINGJFN-QINHECLXSA-N	0	1	427.482	1.607	1	0		IDAFMN
O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cnc2c(-n3cncn3)cc[nH]c1-2	ZINC000034821150	563088043	/nfs/dbraw/zinc/08/80/43/563088043.db2.gz	SJPIOIYXQNVOON-UHFFFAOYSA-N	0	1	429.440	1.311	1	0		IDAFMN
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1C(=O)O[C@H](c3c[nH]nn3)C[C@@]12C	ZINC000040406785	563101335	/nfs/dbraw/zinc/10/13/35/563101335.db2.gz	WEHYIFKRVMCWNG-MPZWKKTFSA-N	0	1	433.461	1.525	1	0		IDAFMN
CN1CCN(c2ncnc3c2ncn3[C@H]2CN(Cc3cccs3)C[C@@H](CO)O2)CC1	ZINC000061897122	563147509	/nfs/dbraw/zinc/14/75/09/563147509.db2.gz	IZWYIKLWITWLAA-DOTOQJQBSA-N	0	1	429.550	1.032	3	0		IDAFMN
NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000096909258	563197742	/nfs/dbraw/zinc/19/77/42/563197742.db2.gz	YEEILQVFWQCOPU-PMACEKPBSA-N	0	1	435.484	1.460	1	0		IDAFMN
COc1c(=O)c2c(O)cc(O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)cc2oc1-c1ccc(O)cc1	ZINC000059768018	291323571	/nfs/dbraw/zinc/32/35/71/291323571.db2.gz	BIFYEBAZZKWGEE-XWWUPDIOSA-N	0	1	446.408	1.086	1	0	biogenic,in-vitro	IDAFMN
COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](CN2CC[C@H](O)C2)C1	ZINC000000591900	562918303	/nfs/dbraw/zinc/91/83/03/562918303.db2.gz	LHUIHXOQXLITOP-GJZGRUSLSA-N	0	1	430.332	1.882	1	0		IDAFMN
CC[C@H]([NH2+][C@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC)[P@H](=O)[O-]	ZINC000013733573	563002174	/nfs/dbraw/zinc/00/21/74/563002174.db2.gz	PVTPKXMAKXRUSO-FGTMMUONSA-N	0	1	427.482	1.676	1	0		IDAFMN
CS(=O)(=O)c1ccc(-c2noc([C@@H](CC3CC3)[C@H](N)C(=O)N3CC[C@H](F)C3)n2)cc1	ZINC000014948500	563015556	/nfs/dbraw/zinc/01/55/56/563015556.db2.gz	WTLFRZGLMDADRS-XIRDDKMYSA-N	0	1	436.509	1.922	1	0		IDAFMN
COc1cc(-c2nc3nc(N4CCN(C)CC4)ccc3[nH]2)c(OC)c2nc(CO)n(C)c21	ZINC000018120391	563022275	/nfs/dbraw/zinc/02/22/75/563022275.db2.gz	LOQPTSXAKNEIJO-UHFFFAOYSA-N	0	1	437.504	1.773	1	0		IDAFMN
O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NCCN1CCc2ccccc2C1	ZINC000020104794	563023615	/nfs/dbraw/zinc/02/36/15/563023615.db2.gz	PXGSSQILISWJMF-UHFFFAOYSA-N	0	1	432.524	1.682	3	0		IDAFMN
CCC(=O)N(c1ccccc1)C1(COC)CCN([C@H](C)Cn2nnn(CC)c2=O)CC1	ZINC000026377241	563031179	/nfs/dbraw/zinc/03/11/79/563031179.db2.gz	BKHYJILOADVNME-GOSISDBHSA-N	0	1	430.553	1.772	1	0		IDAFMN
NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000026508966	563033103	/nfs/dbraw/zinc/03/31/03/563033103.db2.gz	YEEILQVFWQCOPU-VQTJNVASSA-N	0	1	435.484	1.460	1	0		IDAFMN
CS(=O)(=O)Nc1ccc(N2CCN(C[C@H](O)CONC(C3CC3)C3CC3)CC2)cc1	ZINC000026726976	563035835	/nfs/dbraw/zinc/03/58/35/563035835.db2.gz	CHTQMTFTQMLIBL-FQEVSTJZSA-N	0	1	438.594	1.251	1	0		IDAFMN
N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1CC(=O)NCc1ccccc1-n1cnnn1	ZINC000026820192	563036865	/nfs/dbraw/zinc/03/68/65/563036865.db2.gz	XPIQDNKSOJHGEF-VQTJNVASSA-N	0	1	433.516	1.230	1	0		IDAFMN
N[C@H](Cc1ccccn1)C(=O)N1CCC[C@H]1CC(=O)NCc1ccccc1-n1cncn1	ZINC000026821208	563036935	/nfs/dbraw/zinc/03/69/35/563036935.db2.gz	UQVKUIPVHPQCPO-VQTJNVASSA-N	0	1	433.516	1.230	1	0		IDAFMN
CN1CCN(c2ccnc(-n3ccnc3)n2)[C@@H](CC(=O)NCc2ccc3c(c2)OCO3)C1	ZINC000028604301	563059748	/nfs/dbraw/zinc/05/97/48/563059748.db2.gz	GSOOHDJMKOKFNJ-KRWDZBQOSA-N	0	1	435.488	1.218	1	0		IDAFMN
CC[C@@H](C)[C@H](N)C(=O)OC[C@@H](CCn1cnc2c1nc(N)[nH]c2=O)COC(=O)C(C)C	ZINC000029489985	563081524	/nfs/dbraw/zinc/08/15/24/563081524.db2.gz	FEBJVUUEYIIURT-RDBSUJKOSA-N	0	1	436.513	1.236	1	0		IDAFMN
O=c1cc(-c2ccccc2)oc2cc(OC[C@@H](O)CN[C@H]3CCS(=O)(=O)C3)ccc12	ZINC000029551037	563081926	/nfs/dbraw/zinc/08/19/26/563081926.db2.gz	KJXXTBHKQXLZNL-IRXDYDNUSA-N	0	1	429.494	1.976	1	0		IDAFMN
O=c1cc(-c2ccccc2)oc2cc(OC[C@H](O)CN[C@@H]3CCS(=O)(=O)C3)ccc12	ZINC000029551031	563081951	/nfs/dbraw/zinc/08/19/51/563081951.db2.gz	KJXXTBHKQXLZNL-IAGOWNOFSA-N	0	1	429.494	1.976	1	0		IDAFMN
O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cnc2c(-n3cccn3)cc[nH]c1-2	ZINC000034821152	563088076	/nfs/dbraw/zinc/08/80/76/563088076.db2.gz	ALAIGYZVBQKMMK-UHFFFAOYSA-N	0	1	428.452	1.916	1	0		IDAFMN
CC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1Cc1nnco1	ZINC000035017638	563088903	/nfs/dbraw/zinc/08/89/03/563088903.db2.gz	PIBUTAZRMNUMRK-UHFFFAOYSA-N	0	1	428.424	1.152	1	0		IDAFMN
COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)C3CCCC3)C2=O)CC1	ZINC000036248171	563092375	/nfs/dbraw/zinc/09/23/75/563092375.db2.gz	UQYZSIUSANRXGT-IBGZPJMESA-N	0	1	442.560	1.641	1	0		IDAFMN
Cc1cn([C@H](C(=O)NCCCCCCCCCCC(=O)N2CCNCC2)[C@@H](C)O)nn1	ZINC000036386762	563094549	/nfs/dbraw/zinc/09/45/49/563094549.db2.gz	AWRVUNQNVZTGLS-CTNGQTDRSA-N	0	1	436.601	1.567	3	0		IDAFMN
O=C(NCc1ccccc1)[C@H]1O[C@H](CNCc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]1O	ZINC000040402303	563100990	/nfs/dbraw/zinc/10/09/90/563100990.db2.gz	OCYBJGHRFYAIBB-YRXWBPOGSA-N	0	1	425.312	1.889	1	0		IDAFMN
COc1ccc2[nH+]ccc(N3CCN(CC[NH2+]Cc4ccc5c(n4)NC(=O)CO5)CC3)c2n1	ZINC000045188681	563123130	/nfs/dbraw/zinc/12/31/30/563123130.db2.gz	DGRLVKZWDKWIBJ-UHFFFAOYSA-N	0	1	449.515	1.276	1	0		IDAFMN
Cc1cnn(-c2[nH]cnc3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)cnc2-3)c1	ZINC000095593862	563190899	/nfs/dbraw/zinc/19/08/99/563190899.db2.gz	CQRFMNWDXBNLPE-UHFFFAOYSA-N	0	1	443.467	1.619	1	0		IDAFMN
O=C1CN(CCCCN2CCN(c3cccc4c3COC=CO4)CC2)C(=O)[C@H]2CCCN12	ZINC000095607679	563194144	/nfs/dbraw/zinc/19/41/44/563194144.db2.gz	OLUSTZZUPLOXMW-OAQYLSRUSA-N	0	1	440.544	1.802	1	0		IDAFMN
O=C(NCCN1CCc2ccccc2C1)C1CCN(S(=O)(=O)N2CCCCC2)CC1	ZINC000020686372	526323338	/nfs/dbraw/zinc/32/33/38/526323338.db2.gz	QJYWHSYAVOGDEA-UHFFFAOYSA-N	0	1	434.606	1.604	3	0		IDAFMN
Nc1nc(N2CCN3C[C@H](COc4ccncc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn21	ZINC000013585850	562995098	/nfs/dbraw/zinc/99/50/98/562995098.db2.gz	LQXFZCGWDUOTIA-CVEARBPZSA-N	0	1	447.503	1.736	1	0		IDAFMN
CCO[N-]C(=O)CNc1[nH+]cnc2c1c(-c1ccccc1)cn2[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O	ZINC000013676889	563000540	/nfs/dbraw/zinc/00/05/40/563000540.db2.gz	CNSZOBVTUKMYDU-CNZTYRRKSA-N	0	1	427.461	1.217	1	0		IDAFMN
CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC)[P@H](=O)[O-]	ZINC000013733567	563002138	/nfs/dbraw/zinc/00/21/38/563002138.db2.gz	PVTPKXMAKXRUSO-OKZBNKHCSA-N	0	1	427.482	1.676	1	0		IDAFMN
CC[C@H](N[C@@H](CC(C)C)C(=O)N[C@@H]1CCCC[NH2+]CCCCCNC1=O)[P@@](=O)([O-])O	ZINC000026575938	563033617	/nfs/dbraw/zinc/03/36/17/563033617.db2.gz	RQNKISSEPZPZDA-FGTMMUONSA-N	0	1	448.545	1.449	1	0		IDAFMN
CC[C@H](N[C@@H](CC(C)C)C(=O)N[C@@H]1CCCC[NH2+]CCCCCNC1=O)[P@](=O)([O-])O	ZINC000026575938	563033618	/nfs/dbraw/zinc/03/36/18/563033618.db2.gz	RQNKISSEPZPZDA-FGTMMUONSA-N	0	1	448.545	1.449	1	0		IDAFMN
O=C([O-])[C@@H]1CCCN1C(=O)C[NH2+]CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000026722671	563035785	/nfs/dbraw/zinc/03/57/85/563035785.db2.gz	WPGNBXOKKGNCRD-PMACEKPBSA-N	0	1	437.496	1.262	1	0		IDAFMN
COc1ccccc1OC[C@H](O)CNCC(=O)Nc1ccc(C2=NNC(=O)C[C@@H]2C)cc1	ZINC000027104399	563039774	/nfs/dbraw/zinc/03/97/74/563039774.db2.gz	LXDCNDLUKHSICP-MAUKXSAKSA-N	0	1	440.500	1.523	1	0		IDAFMN
COc1ccccc1OC[C@@H](O)CNCC(=O)Nc1ccc(C2=NNC(=O)CC2)cc1	ZINC000027105907	563039882	/nfs/dbraw/zinc/03/98/82/563039882.db2.gz	IVHMRKVRLRDQTD-KRWDZBQOSA-N	0	1	426.473	1.277	1	0		IDAFMN
CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN1CCN(c2ccccc2)CC1	ZINC000028652662	563061214	/nfs/dbraw/zinc/06/12/14/563061214.db2.gz	HIWZDJQEQMOAIM-UHFFFAOYSA-N	0	1	426.521	1.045	1	0		IDAFMN
CCCS(=O)(=O)N(CCNS(=O)(=O)CC)[C@@H]1CCN2CCc3ccccc3[C@@H]2C1	ZINC000029475981	563080802	/nfs/dbraw/zinc/08/08/02/563080802.db2.gz	IEUMNXJRRJSBDU-QUCCMNQESA-N	0	1	443.635	1.729	1	0		IDAFMN
CCCC(=O)OC[C@@H](CCn1cnc2c1nc(N)[nH]c2=O)COC(=O)[C@@H](N)[C@H](C)CC	ZINC000029484728	563081274	/nfs/dbraw/zinc/08/12/74/563081274.db2.gz	AWQICHCIONKAKT-NFAWXSAZSA-N	0	1	436.513	1.380	1	0		IDAFMN
COc1ccc(/C=c2/[nH]c(=O)/c(=C\c3ccc(OCc4ccccc4)cn3)[nH]c2=O)cc1	ZINC000031905837	563083866	/nfs/dbraw/zinc/08/38/66/563083866.db2.gz	ZYBROJMDRVVDRZ-MSKUYSOUSA-N	0	1	427.460	1.703	1	0		IDAFMN
CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCNCC1)C(=O)OCc1ccccc1	ZINC000036378344	563093595	/nfs/dbraw/zinc/09/35/95/563093595.db2.gz	WDPGJZVOJDOKPT-KRWDZBQOSA-N	0	1	427.505	1.343	3	0		IDAFMN
O=C(CN(c1nc(Cl)nc2[nH]cnc21)C1CC1)N[C@@H](CO)C(=O)OCc1ccccc1	ZINC000045347788	563132015	/nfs/dbraw/zinc/13/20/15/563132015.db2.gz	XSKFGKHDFKEGSD-AWEZNQCLSA-N	0	1	444.879	1.196	1	0		IDAFMN
CC(C)Oc1ccc2ccccc2c1CNC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O	ZINC000061922379	563149396	/nfs/dbraw/zinc/14/93/96/563149396.db2.gz	WJWHWTZXIMWUMK-ZHHKINOHSA-N	0	1	440.500	1.175	3	0		IDAFMN
COc1ccccc1CNc1ncc(C(=O)NCCc2nn[nH]n2)c(NC2CCCC2)n1	ZINC000095597325	563191877	/nfs/dbraw/zinc/19/18/77/563191877.db2.gz	PRVYCULSPLQIDK-UHFFFAOYSA-N	0	1	437.508	1.937	1	0		IDAFMN