smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2F)ccc1Cl ZINC000003346943 204000459 /nfs/dbraw/zinc/00/04/59/204000459.db2.gz ISMJQLMRRDJLRP-UHFFFAOYSA-N -1 3 378.759 2.918 50 0 GFAAHM COc1cc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000004012201 204022378 /nfs/dbraw/zinc/02/23/78/204022378.db2.gz SAADZRJBOQGELC-QAPCUYQASA-N -1 3 382.416 2.882 50 0 biogenic,in-vitro GFAAHM CCOc1ccc(S(=O)(=O)c2cnc3cc(OC)c(OC)cc3c2[O-])cc1 ZINC000004169925 204030788 /nfs/dbraw/zinc/03/07/88/204030788.db2.gz LSWLDXQSXQEANG-UHFFFAOYSA-N -1 3 389.429 2.777 50 0 GFAAHM CC(=O)N1CCOc2cc(S(=O)(=O)[N-]Cc3ccc(C)cc3)c(Cl)cc21 ZINC000006893141 204221925 /nfs/dbraw/zinc/22/19/25/204221925.db2.gz KKRLYOYHHPPMJG-UHFFFAOYSA-N -1 3 394.880 2.872 50 0 GFAAHM CCOC(=O)c1c(C)oc2nc(CN(C)Cc3cc(C)ccc3OC)[n-]c(=O)c21 ZINC000008744579 204287538 /nfs/dbraw/zinc/28/75/38/204287538.db2.gz WPVWGSCQIMNYSO-UHFFFAOYSA-N -1 3 399.447 2.950 50 0 GFAAHM O=C(NC1CCCCCC1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000009882677 204326396 /nfs/dbraw/zinc/32/63/96/204326396.db2.gz XOPOLIQMECPLGQ-UHFFFAOYSA-N -1 3 385.555 2.923 50 0 GFAAHM O=S(=O)([N-]C1CCN(c2ncnc3sccc32)CC1)c1cccs1 ZINC000010044572 204329323 /nfs/dbraw/zinc/32/93/23/204329323.db2.gz XXKHNIWQAOMGCY-UHFFFAOYSA-N -1 3 380.520 2.700 50 0 GFAAHM C[C@@H](c1nc(C2CC2)no1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000040153434 205059514 /nfs/dbraw/zinc/05/95/14/205059514.db2.gz OKXRZICEBIXHGI-NSHDSACASA-N -1 3 382.511 2.512 50 0 GFAAHM CC1(C)Cc2c(sc3[n-]c(CN(CCO)Cc4ccccc4)nc(=O)c23)CO1 ZINC000040283582 205061538 /nfs/dbraw/zinc/06/15/38/205061538.db2.gz MPKWPASLBXKNJY-UHFFFAOYSA-N -1 3 399.516 2.830 50 0 GFAAHM O=C(Nc1ccccc1)C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21 ZINC000040287733 205061668 /nfs/dbraw/zinc/06/16/68/205061668.db2.gz LIHGHEMEPMIRGL-AWEZNQCLSA-N -1 3 375.388 2.578 50 0 GFAAHM Cc1nn2c(ncc3c2ccn([N-]C(=O)c2ccncc2)c3=O)c1-c1ccccc1 ZINC000040396307 205064022 /nfs/dbraw/zinc/06/40/22/205064022.db2.gz VHSBBKXMYRWEQR-UHFFFAOYSA-N -1 3 396.410 2.799 50 0 GFAAHM CC[C@@H](C(=O)NCCc1cc(=O)[n-]c(C)n1)n1cc(C(C)=O)c2ccccc21 ZINC000065405314 205233392 /nfs/dbraw/zinc/23/33/92/205233392.db2.gz XPKKWQXMXMPJJP-SFHVURJKSA-N -1 3 380.448 2.546 50 0 GFAAHM CCCN1CCc2nc(SCC(=O)Nc3ccc(F)cc3)[n-]c(=O)c2C1 ZINC000067291743 205244318 /nfs/dbraw/zinc/24/43/18/205244318.db2.gz OPABXLSYTPOBNY-UHFFFAOYSA-N -1 3 376.457 2.820 50 0 GFAAHM COc1ccccc1[N-]C(=O)c1nc(-c2cn(Cc3ccc(C)cc3)nn2)no1 ZINC000065236801 205220391 /nfs/dbraw/zinc/22/03/91/205220391.db2.gz PDKMKXNBQQZWGW-UHFFFAOYSA-N -1 3 390.403 2.946 50 0 GFAAHM Cc1ncc(C(=O)N2CCCN(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c(=O)[n-]1 ZINC000071439350 205284008 /nfs/dbraw/zinc/28/40/08/205284008.db2.gz LLWJZCZPVJSIJC-LJQANCHMSA-N -1 3 386.471 2.590 50 0 GFAAHM CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)c1ccc([O-])cc1)C2 ZINC000072161557 205313940 /nfs/dbraw/zinc/31/39/40/205313940.db2.gz LSUDCHHNINHJJK-UHFFFAOYSA-N -1 3 375.432 2.509 50 0 GFAAHM COc1ccc2nc(NC(=O)Cn3c(C)nc4ccc([O-])cc4c3=O)sc2c1 ZINC000072401279 205344271 /nfs/dbraw/zinc/34/42/71/205344271.db2.gz GFCLQDFKZZGCKR-UHFFFAOYSA-N -1 3 396.428 2.668 50 0 GFAAHM CC(=O)c1cccc(CN2CC3(C[C@H]2C(=O)[O-])CCN(C(=O)C2CC2)CC3)c1 ZINC000072418515 205347893 /nfs/dbraw/zinc/34/78/93/205347893.db2.gz VPGHGWFNTUZJMQ-IBGZPJMESA-N -1 3 384.476 2.567 50 0 GFAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](c1cccn1C)N1CCCC1 ZINC000011846968 205869414 /nfs/dbraw/zinc/86/94/14/205869414.db2.gz BMHNGZWQSHZYGT-MRXNPFEDSA-N -1 3 397.928 2.803 50 0 GFAAHM CC(=O)c1ccc(NC(=O)[C@H]([N-]S(=O)(=O)c2ccccc2F)C(C)C)cc1 ZINC000032819576 206092046 /nfs/dbraw/zinc/09/20/46/206092046.db2.gz PNLRLBNNXUOPAO-GOSISDBHSA-N -1 3 392.452 2.970 50 0 GFAAHM CC(C)Cc1cc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)[n-]c(=O)n1 ZINC000253535396 206149499 /nfs/dbraw/zinc/14/94/99/206149499.db2.gz OCSJDJFTAHQJAH-VPWXQRGCSA-N -1 3 397.475 2.558 50 0 GFAAHM CN(C)CCn1ccnc1[C@@H]1CCCN(c2ccc(Cl)c(C(=O)[O-])n2)C1 ZINC000095530837 136181830 /nfs/dbraw/zinc/18/18/30/136181830.db2.gz OGOYKKHELPNWEU-CYBMUJFWSA-N -1 3 377.876 2.575 50 0 GFAAHM COc1cc(S(=O)(=O)[N-]Cc2ccco2)c(OC)cc1Br ZINC000001102704 551091801 /nfs/dbraw/zinc/09/18/01/551091801.db2.gz KXESFHFZUNBYGO-UHFFFAOYSA-N -1 3 376.228 2.538 50 0 GFAAHM O=S(=O)(/C=C/c1ccccc1)[N-]c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000010518240 551105417 /nfs/dbraw/zinc/10/54/17/551105417.db2.gz ZGHMRAQFDJKTGD-VAWYXSNFSA-N -1 3 378.475 2.540 50 0 GFAAHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CCCN2CCCC2=O)c1Cl ZINC000014099394 551109949 /nfs/dbraw/zinc/10/99/49/551109949.db2.gz MALFOSAVSGSHID-UHFFFAOYSA-N -1 3 379.309 2.901 50 0 GFAAHM O=C(C[N-]S(=O)(=O)c1cccs1)Nc1ccc(OC(F)(F)F)cc1 ZINC000021111711 551116102 /nfs/dbraw/zinc/11/61/02/551116102.db2.gz GMEXLXWQWZLUHO-UHFFFAOYSA-N -1 3 380.369 2.564 50 0 GFAAHM O=C(CSc1nc2nncc-2c(O)[n-]1)Nc1ccc(Br)cc1F ZINC000024746993 551119785 /nfs/dbraw/zinc/11/97/85/551119785.db2.gz UVILAIPBCRCATB-UHFFFAOYSA-N -1 3 398.217 2.691 50 0 GFAAHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](C)CN2CCOCC2)c1Cl ZINC000032929503 551132402 /nfs/dbraw/zinc/13/24/02/551132402.db2.gz DKIQGGJWLHZYIO-NSHDSACASA-N -1 3 381.325 2.609 50 0 GFAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCN1c1nccs1 ZINC000206783529 553052447 /nfs/dbraw/zinc/05/24/47/553052447.db2.gz PPPNGYGQBHBQIO-GFCCVEGCSA-N -1 3 387.914 2.752 50 0 GFAAHM COCCN1CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)C1 ZINC000670452818 565723350 /nfs/dbraw/zinc/72/33/50/565723350.db2.gz YJGGAVRMKSXKBT-GFCCVEGCSA-N -1 3 381.325 2.548 50 0 GFAAHM COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(F)(F)F)cc(Cl)c1[O-] ZINC000000706336 570219070 /nfs/dbraw/zinc/21/90/70/570219070.db2.gz LZURMMBFDNROIH-NSHDSACASA-N -1 3 394.733 2.788 50 0 GFAAHM CCOC(=O)c1c([N-]C(=O)c2nc3ncccn3n2)sc2c1CC[C@H](C)C2 ZINC000000924008 570229966 /nfs/dbraw/zinc/22/99/66/570229966.db2.gz GDBZLWCTSUTWQX-JTQLQIEISA-N -1 3 385.449 2.740 50 0 GFAAHM O=C(c1csc(Cc2ccccc2)n1)N1CCC(c2cc(=O)[n-]cn2)CC1 ZINC000097572285 570247127 /nfs/dbraw/zinc/24/71/27/570247127.db2.gz LVETUVSGEDPDRC-UHFFFAOYSA-N -1 3 380.473 2.837 50 0 GFAAHM CCCCn1c([O-])c([C@@H]2NCCc3cc(OC)c(OC)cc32)c(=O)[nH]c1=S ZINC000020267484 570250688 /nfs/dbraw/zinc/25/06/88/570250688.db2.gz DPIWXDVLBXDSCF-MRXNPFEDSA-N -1 3 391.493 2.664 50 0 GFAAHM O=S(=O)([N-]C[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(F)cc1Cl ZINC000012917858 570293226 /nfs/dbraw/zinc/29/32/26/570293226.db2.gz RUKXQWPYXHWPEO-MRXNPFEDSA-N -1 3 398.887 2.658 50 0 GFAAHM COC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000023175217 570347720 /nfs/dbraw/zinc/34/77/20/570347720.db2.gz VXYRTWPKTDEOFG-OAHLLOKOSA-N -1 3 376.478 2.869 50 0 GFAAHM C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)c1ccc(F)c(F)c1 ZINC000024630595 570388400 /nfs/dbraw/zinc/38/84/00/570388400.db2.gz GLYYJRRTMDVTPJ-MNOVXSKESA-N -1 3 386.395 2.648 50 0 GFAAHM O=C(c1cc2ccccc2[nH]1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000026113254 570422462 /nfs/dbraw/zinc/42/24/62/570422462.db2.gz PTRMSBSXRDAKPU-UHFFFAOYSA-N -1 3 389.502 2.813 50 0 GFAAHM C[C@@H](CNC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000026754576 570428306 /nfs/dbraw/zinc/42/83/06/570428306.db2.gz RMLOMFYSTGIFSC-ZDUSSCGKSA-N -1 3 382.432 2.553 50 0 GFAAHM CCCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1 ZINC000328596605 570642294 /nfs/dbraw/zinc/64/22/94/570642294.db2.gz HNRFVBVVTVKJJL-UHFFFAOYSA-N -1 3 376.434 2.999 50 0 GFAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000031618312 570818469 /nfs/dbraw/zinc/81/84/69/570818469.db2.gz HSEOAFGDMBIWFC-UHFFFAOYSA-N -1 3 375.450 2.521 50 0 GFAAHM CC(=O)Cc1nsc([N-]C(=O)c2nnn(-c3ccc(C)cc3)c2C2CC2)n1 ZINC000016649655 570929914 /nfs/dbraw/zinc/92/99/14/570929914.db2.gz KPBBOEOHDVKFPK-UHFFFAOYSA-N -1 3 382.449 2.688 50 0 GFAAHM CN(c1ccccc1)c1ccc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)cn1 ZINC000044888562 570982102 /nfs/dbraw/zinc/98/21/02/570982102.db2.gz ZXILIJAIVFTETO-UHFFFAOYSA-N -1 3 393.447 2.749 50 0 GFAAHM CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000095392496 571073483 /nfs/dbraw/zinc/07/34/83/571073483.db2.gz PGFBCIPAUNHWRC-CQSZACIVSA-N -1 3 376.888 2.824 50 0 GFAAHM COc1cccc(NC(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000000665478 203846653 /nfs/dbraw/zinc/84/66/53/203846653.db2.gz NMCKRKRDTUVXHG-UHFFFAOYSA-N -1 3 389.260 2.919 50 0 GFAAHM Cc1ccc(C)c(NC(=O)CSc2nnc3[n-]c(=O)c(C(C)(C)C)nn32)c1 ZINC000004251443 204034738 /nfs/dbraw/zinc/03/47/38/204034738.db2.gz STCXQWWQTYBLIZ-UHFFFAOYSA-N -1 3 386.481 2.870 50 0 GFAAHM CCc1nnc([N-]C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)s1 ZINC000004841653 204082427 /nfs/dbraw/zinc/08/24/27/204082427.db2.gz LSKBBFMERYEMJS-UHFFFAOYSA-N -1 3 398.485 2.667 50 0 GFAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1C(N)=O ZINC000004858370 204083496 /nfs/dbraw/zinc/08/34/96/204083496.db2.gz KKVQNDQRSWKGCK-UHFFFAOYSA-N -1 3 387.230 2.796 50 0 GFAAHM CCCCN1C(=O)[N-][C@](NC(=O)c2cccc(Cl)c2)(C(F)(F)F)C1=O ZINC000004452592 204046211 /nfs/dbraw/zinc/04/62/11/204046211.db2.gz UJPWPDPUXLNLSY-AWEZNQCLSA-N -1 3 377.750 2.680 50 0 GFAAHM C[C@H](Sc1nnc(NC2CC2)s1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000006975436 204227218 /nfs/dbraw/zinc/22/72/18/204227218.db2.gz WCWDGLDVLRFEJG-VIFPVBQESA-N -1 3 398.535 2.847 50 0 GFAAHM Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000008980818 204295472 /nfs/dbraw/zinc/29/54/72/204295472.db2.gz AWFVLODBEMQWKO-UHFFFAOYSA-N -1 3 387.447 2.941 50 0 GFAAHM Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000008980818 204295476 /nfs/dbraw/zinc/29/54/76/204295476.db2.gz AWFVLODBEMQWKO-UHFFFAOYSA-N -1 3 387.447 2.941 50 0 GFAAHM CCOC(=O)c1c2ccccc2oc1[N-]C(=O)CN1C(=O)COc2ccccc21 ZINC000010110150 204329959 /nfs/dbraw/zinc/32/99/59/204329959.db2.gz CTTJVJLUWIEDRY-UHFFFAOYSA-N -1 3 394.383 2.974 50 0 GFAAHM O=C(Nc1ccc(Br)cc1)c1cc(=O)n(-c2ccccc2)c(=O)[n-]1 ZINC000012338528 204398473 /nfs/dbraw/zinc/39/84/73/204398473.db2.gz LOSUJBDPIXFDSO-UHFFFAOYSA-N -1 3 386.205 2.953 50 0 GFAAHM CN(C)CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000036391761 205016838 /nfs/dbraw/zinc/01/68/38/205016838.db2.gz RRGMVYOYUOZPSH-UHFFFAOYSA-N -1 3 399.875 2.571 50 0 GFAAHM CCOC(=O)N=c1[n-]c2c(s1)CN(S(=O)(=O)c1ccccc1F)CC2 ZINC000077196365 205033355 /nfs/dbraw/zinc/03/33/55/205033355.db2.gz CMRATYDDYXWIFL-UHFFFAOYSA-N -1 3 385.442 2.598 50 0 GFAAHM O=S(=O)([N-]CC[C@H](O)c1cccs1)c1ccc(Br)s1 ZINC000077115119 205034146 /nfs/dbraw/zinc/03/41/46/205034146.db2.gz MZHNZBNWHHHHMN-QMMMGPOBSA-N -1 3 382.326 2.974 50 0 GFAAHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1OC ZINC000044901861 205088993 /nfs/dbraw/zinc/08/89/93/205088993.db2.gz DRLASMZUBBBIHD-UHFFFAOYSA-N -1 3 375.855 2.675 50 0 GFAAHM Cc1cc(=O)c([O-])c(C(c2ccc3c(c2)OCO3)c2oc(C)cc(=O)c2O)o1 ZINC000085879772 205129441 /nfs/dbraw/zinc/12/94/41/205129441.db2.gz VXHUCYYEMKWKNP-UHFFFAOYSA-N -1 3 384.340 2.530 50 0 GFAAHM Oc1cc(-c2nc3ccccc3s2)cc2c1OCCN(CCc1nnn[n-]1)C2 ZINC000067818957 205261624 /nfs/dbraw/zinc/26/16/24/205261624.db2.gz ANVFLMZCYMRFBV-UHFFFAOYSA-N -1 3 394.460 2.619 50 0 GFAAHM Oc1cc(-c2nc3ccccc3s2)cc2c1OCCN(CCc1nn[n-]n1)C2 ZINC000067818957 205261625 /nfs/dbraw/zinc/26/16/25/205261625.db2.gz ANVFLMZCYMRFBV-UHFFFAOYSA-N -1 3 394.460 2.619 50 0 GFAAHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cn1[n-]c(=O)c2ccccc2c1=O ZINC000069419377 205277374 /nfs/dbraw/zinc/27/73/74/205277374.db2.gz AGHSZHYGAFSQKJ-PXNSSMCTSA-N -1 3 391.471 2.875 50 0 GFAAHM CS(=O)(=O)c1ccc([C@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCCC2)cc1 ZINC000071281808 205279232 /nfs/dbraw/zinc/27/92/32/205279232.db2.gz KSXSLSRMRLYLLB-CQSZACIVSA-N -1 3 375.450 2.819 50 0 GFAAHM Cn1c2ccccc2nc1-c1ccc(CN2CCc3[nH]cnc3[C@@H]2C(=O)[O-])o1 ZINC000072458304 205353121 /nfs/dbraw/zinc/35/31/21/205353121.db2.gz UHTCBAGHIKXXCE-GOSISDBHSA-N -1 3 377.404 2.740 50 0 GFAAHM COc1cc(F)c(S(=O)(=O)[N-]Cc2nc3cccc(C)c3n2C)cc1OC ZINC000079110961 205382484 /nfs/dbraw/zinc/38/24/84/205382484.db2.gz BHDOAXNIJYQZQH-UHFFFAOYSA-N -1 3 393.440 2.517 50 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208397749 /nfs/dbraw/zinc/39/77/49/208397749.db2.gz GXXAQETWPKJXNG-UHFFFAOYSA-N -1 3 376.420 2.650 50 0 GFAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)Nc3ccc4c(c3)COC4=O)cc2O1 ZINC000096115060 209010882 /nfs/dbraw/zinc/01/08/82/209010882.db2.gz VMQPKLYZWOXQOJ-UHFFFAOYSA-N -1 3 397.383 2.824 50 0 GFAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)c1ccc2c(ccn2C)c1 ZINC000244975256 209026125 /nfs/dbraw/zinc/02/61/25/209026125.db2.gz IIHLMTVBJJTGNC-MRXNPFEDSA-N -1 3 394.880 2.852 50 0 GFAAHM NC(=O)C[C@@H](c1ccc(F)c(F)c1)c1oc(CN2CCCCC2)cc(=O)c1[O-] ZINC000252495920 209034467 /nfs/dbraw/zinc/03/44/67/209034467.db2.gz PDLUZRKTLCCIMZ-AWEZNQCLSA-N -1 3 392.402 2.617 50 0 GFAAHM Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[n-]c(Nc2ccc(Cl)cc2)n1 ZINC000039383604 132391007 /nfs/dbraw/zinc/39/10/07/132391007.db2.gz XZEKSYLGBHAKFX-UHFFFAOYSA-N -1 3 398.854 2.769 50 0 GFAAHM O=C(Nc1ccccc1[O-])c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000058186433 136154928 /nfs/dbraw/zinc/15/49/28/136154928.db2.gz PQKUESBHJQEDNG-CVEARBPZSA-N -1 3 377.400 2.605 50 0 GFAAHM Cc1cccc(-n2cc(CN3CCC[C@@H](c4ccn(CC(=O)[O-])n4)C3)cn2)c1 ZINC000426370181 534566762 /nfs/dbraw/zinc/56/67/62/534566762.db2.gz VNARNXMOFVNJJH-GOSISDBHSA-N -1 3 379.464 2.841 50 0 GFAAHM CC(=O)c1cn([C@@H](C)C(=O)NCc2nnc(C(F)(F)F)[n-]2)c2ccccc12 ZINC000426399102 527420257 /nfs/dbraw/zinc/42/02/57/527420257.db2.gz WQOLVJUXCCQJJA-VIFPVBQESA-N -1 3 379.342 2.858 50 0 GFAAHM CC(=O)c1cn([C@@H](C)C(=O)NCc2n[n-]c(C(F)(F)F)n2)c2ccccc12 ZINC000426399102 527420262 /nfs/dbraw/zinc/42/02/62/527420262.db2.gz WQOLVJUXCCQJJA-VIFPVBQESA-N -1 3 379.342 2.858 50 0 GFAAHM CC(=O)c1cn([C@@H](C)C(=O)NCc2nc(C(F)(F)F)n[n-]2)c2ccccc12 ZINC000426399102 527420266 /nfs/dbraw/zinc/42/02/66/527420266.db2.gz WQOLVJUXCCQJJA-VIFPVBQESA-N -1 3 379.342 2.858 50 0 GFAAHM O=S(=O)([N-]c1ccc(N2CCCS2(=O)=O)cc1)c1cccc(Cl)c1 ZINC000005075432 551095806 /nfs/dbraw/zinc/09/58/06/551095806.db2.gz LQHGETOGYBBNKE-UHFFFAOYSA-N -1 3 386.882 2.681 50 0 GFAAHM Cc1nc(C)c(CCC(=O)Nc2ccc(I)cc2)c(=O)[n-]1 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O=C([O-])[C@]12CN(Cc3cc(F)cc(F)c3)C[C@H]1CN(C(=O)C1CCCC1)C2 ZINC000096131506 211303976 /nfs/dbraw/zinc/30/39/76/211303976.db2.gz FDWICKTZOVDKGC-YWZLYKJASA-N -1 3 378.419 2.500 50 0 GFAAHM C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C1(N2CCOCC2)CCCC1 ZINC000095978868 211290805 /nfs/dbraw/zinc/29/08/05/211290805.db2.gz QOSPKACOBFBCHC-CYBMUJFWSA-N -1 3 397.313 2.918 50 0 GFAAHM COc1ccccc1[C@@H]1SCC(=O)Nc2c1c(=O)[n-]n2C1CCOCC1 ZINC000095473861 211247464 /nfs/dbraw/zinc/24/74/64/211247464.db2.gz ODISVBOCKUWWLA-INIZCTEOSA-N -1 3 375.450 2.961 50 0 GFAAHM CO[C@H]1CCCN(C(=O)c2cnc(Cc3c(Cl)cccc3Cl)[n-]c2=O)C1 ZINC000091934462 211210632 /nfs/dbraw/zinc/21/06/32/211210632.db2.gz RAXVXDRFFYAWEX-NSHDSACASA-N -1 3 396.274 2.919 50 0 GFAAHM O=C(NC[C@@H]1CCCO1)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000091391409 211189667 /nfs/dbraw/zinc/18/96/67/211189667.db2.gz FYLDGFMIHGBPNV-JTQLQIEISA-N -1 3 382.247 2.576 50 0 GFAAHM C[C@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000084673406 211172583 /nfs/dbraw/zinc/17/25/83/211172583.db2.gz RPEIYRFMXCDQNE-QWHCGFSZSA-N -1 3 382.707 2.932 50 0 GFAAHM O=C(c1ccccc1[O-])N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072447865 211119315 /nfs/dbraw/zinc/11/93/15/211119315.db2.gz OZBJEOBKUDOGBJ-JOCHJYFZSA-N -1 3 379.460 2.832 50 0 GFAAHM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(CCOc1ccc(Cl)cc1)CC2 ZINC000072146350 211076726 /nfs/dbraw/zinc/07/67/26/211076726.db2.gz QTQOOIFWJUQVMJ-QGZVFWFLSA-N -1 3 380.872 2.506 50 0 GFAAHM CCOC(=O)C[C@H](c1cccc(Br)c1)c1oc(CO)cc(=O)c1[O-] ZINC000071283090 211042087 /nfs/dbraw/zinc/04/20/87/211042087.db2.gz KTICPVFXXSYIKR-CYBMUJFWSA-N -1 3 397.221 2.685 50 0 GFAAHM O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)c1cnc[n-]c1=O ZINC000067472842 211009634 /nfs/dbraw/zinc/00/96/34/211009634.db2.gz QCSSXFDONIDLGR-UHFFFAOYSA-N -1 3 390.321 2.906 50 0 GFAAHM O=c1cc(CN2CCc3[nH]nc(-c4ccc(-c5ccccc5)cc4)c3C2)[nH]c(=O)[n-]1 ZINC000067678553 211015167 /nfs/dbraw/zinc/01/51/67/211015167.db2.gz CWYZBALBBLKWIS-UHFFFAOYSA-N -1 3 399.454 2.679 50 0 GFAAHM CCCN1CCc2nc(SCC(=O)Nc3ccc(F)cc3F)[n-]c(=O)c2C1 ZINC000067291772 211006349 /nfs/dbraw/zinc/00/63/49/211006349.db2.gz NYXQNTJIKINYDB-UHFFFAOYSA-N -1 3 394.447 2.959 50 0 GFAAHM CCC(C)(C)NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000021651516 210387619 /nfs/dbraw/zinc/38/76/19/210387619.db2.gz NZZFNBYAVYAHGJ-HNNXBMFYSA-N -1 3 380.535 2.943 50 0 GFAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cccc(OC(=O)c3ccccc3)c2)S1 ZINC000020896558 210366708 /nfs/dbraw/zinc/36/67/08/210366708.db2.gz VLBNWBFCFFCDJL-QGZVFWFLSA-N -1 3 383.429 2.907 50 0 GFAAHM O=C([O-])Cn1ccc([C@H]2CCCN(Cc3ccc(Cn4cccn4)cc3)C2)n1 ZINC000426689833 534511866 /nfs/dbraw/zinc/51/18/66/534511866.db2.gz HEVDMCFGEIIXBY-IBGZPJMESA-N -1 3 379.464 2.592 50 0 GFAAHM C[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccco1 ZINC000009254749 551103548 /nfs/dbraw/zinc/10/35/48/551103548.db2.gz WWTVIGYGMZQXER-VIFPVBQESA-N -1 3 377.249 2.742 50 0 GFAAHM CCOC(=O)c1nc(C)n(C)c1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000225693982 553060100 /nfs/dbraw/zinc/06/01/00/553060100.db2.gz WDOSNFNGQVFVCN-UHFFFAOYSA-N -1 3 389.836 2.640 50 0 GFAAHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H](OC)c1ccc(Cl)s1 ZINC000225706415 553060302 /nfs/dbraw/zinc/06/03/02/553060302.db2.gz NCCRMWCZTJTTNP-QMMMGPOBSA-N -1 3 395.911 2.916 50 0 GFAAHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1ncccc1Br)c1ccccc1 ZINC000660029711 565240178 /nfs/dbraw/zinc/24/01/78/565240178.db2.gz ZQHICUZFSUBMPG-CABCVRRESA-N -1 3 399.310 2.881 50 0 GFAAHM CN1OC[C@@H](S(=O)(=O)[N-]CCc2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000034738751 570329667 /nfs/dbraw/zinc/32/96/67/570329667.db2.gz URLGWHIVKJRVOF-MSOLQXFVSA-N -1 3 380.897 2.789 50 0 GFAAHM Cc1nc(C2CCN(C(=O)CN3CC[C@H](c4ccccc4)C3)CC2)cc(=O)[n-]1 ZINC000220142108 570382765 /nfs/dbraw/zinc/38/27/65/570382765.db2.gz UDBAIRDLLRUBPE-IBGZPJMESA-N -1 3 380.492 2.686 50 0 GFAAHM CN(C)C(=O)COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000026549289 570426901 /nfs/dbraw/zinc/42/69/01/570426901.db2.gz IRAGHXOEEPVFGS-UHFFFAOYSA-N -1 3 388.489 2.833 50 0 GFAAHM COc1ccc(CCNC(=O)COc2cc([O-])c3c(c2)OC(C)(C)CC3=O)cc1 ZINC000006624521 570508779 /nfs/dbraw/zinc/50/87/79/570508779.db2.gz HFMFAKFFMCRLRG-UHFFFAOYSA-N -1 3 399.443 2.882 50 0 GFAAHM C[C@H](C(=O)N1NC=C[C@]1([O-])C(F)(F)F)n1nc(C(F)(F)F)cc1C1CC1 ZINC000006852714 570649485 /nfs/dbraw/zinc/64/94/85/570649485.db2.gz YBTXKHPJACKOSE-KRTXAFLBSA-N -1 3 384.280 2.809 50 0 GFAAHM COc1ccc([C@@H](NC(=O)c2cnc3c(cnn3C)c2[O-])C(F)(F)F)cc1 ZINC000119499989 570720779 /nfs/dbraw/zinc/72/07/79/570720779.db2.gz UVAGLCBKHQCZLN-CQSZACIVSA-N -1 3 380.326 2.716 50 0 GFAAHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]Cc3ccc(C)c(C)c3)cc2C1 ZINC000065196132 570728439 /nfs/dbraw/zinc/72/84/39/570728439.db2.gz APALTDWQKPXWLB-UHFFFAOYSA-N -1 3 378.519 2.748 50 0 GFAAHM O=C(Nc1cccc(N2CCOC2=O)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000052567160 570753343 /nfs/dbraw/zinc/75/33/43/570753343.db2.gz JFEYUICYNRRFHB-KRWDZBQOSA-N -1 3 395.415 2.592 50 0 GFAAHM CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000032716853 570755101 /nfs/dbraw/zinc/75/51/01/570755101.db2.gz KKEGYDPZGGRSPT-AWEZNQCLSA-N -1 3 375.812 2.547 50 0 GFAAHM O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)[N-]C1=NCCS1 ZINC000009263898 570775294 /nfs/dbraw/zinc/77/52/94/570775294.db2.gz GZPMHTAVTVDQGV-UHFFFAOYSA-N -1 3 385.474 2.838 50 0 GFAAHM COc1ccc2c(c1)CCC[C@@]2(O)C[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC000238883949 570810557 /nfs/dbraw/zinc/81/05/57/570810557.db2.gz PSPKJHYSOANHCN-LJQANCHMSA-N -1 3 397.443 2.617 50 0 GFAAHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3nc4nc(C)cc(C)n4n3)nc(=O)c2c1C ZINC000006038365 570816202 /nfs/dbraw/zinc/81/62/02/570816202.db2.gz WEETUJOVXBPVGG-SNVBAGLBSA-N -1 3 398.448 2.574 50 0 GFAAHM CCN(Cc1ccncc1)C(=O)C(=C([O-])c1ccc(F)cc1)n1ccccc1=O ZINC000004676716 570822792 /nfs/dbraw/zinc/82/27/92/570822792.db2.gz UXPJEEPHQZOWJC-FQEVSTJZSA-N -1 3 393.418 2.855 50 0 GFAAHM Cc1nc2sc([C@H](c3cccs3)N3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000023158209 570920791 /nfs/dbraw/zinc/92/07/91/570920791.db2.gz MGZNCTZJEFHRHS-ZDUSSCGKSA-N -1 3 392.506 2.795 50 0 GFAAHM [O-]C(c1ccccc1)=C1[C@@H](c2ccc(O)cc2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000001317695 570957369 /nfs/dbraw/zinc/95/73/69/570957369.db2.gz NVTSUDBFZGAADK-JJRVBVJISA-N -1 3 396.390 2.661 50 0 GFAAHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc2c(c1)OCO2 ZINC000012196673 654500089 /nfs/dbraw/zinc/50/00/89/654500089.db2.gz CFYKPAMZRTYWHH-LLVKDONJSA-N -1 3 388.898 2.711 50 0 GFAAHM O=S(=O)([N-]C[C@]1(O)CCOc2ccccc21)c1cc(Cl)ccc1Cl ZINC000077099994 655004066 /nfs/dbraw/zinc/00/40/66/655004066.db2.gz BMNQEHGTWAEGGT-MRXNPFEDSA-N -1 3 388.272 2.942 50 0 GFAAHM C[C@@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000019357508 210244730 /nfs/dbraw/zinc/24/47/30/210244730.db2.gz LLLCTSFSWDELQK-SNVBAGLBSA-N -1 3 392.462 2.800 50 0 GFAAHM CCN(CC)C(=O)CN(C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000015484855 210159097 /nfs/dbraw/zinc/15/90/97/210159097.db2.gz NLUQTYPYZWFYKT-UHFFFAOYSA-N -1 3 384.505 2.952 50 0 GFAAHM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)ccc1OC ZINC000013678197 210077138 /nfs/dbraw/zinc/07/71/38/210077138.db2.gz XCMXBTUPKPGVMG-UHFFFAOYSA-N -1 3 378.450 2.643 50 0 GFAAHM COc1cccc(-c2cc(=O)[n-]c(N3CCN(Cc4ccccc4)CC3)n2)c1 ZINC000013550563 210067513 /nfs/dbraw/zinc/06/75/13/210067513.db2.gz DMRXUCVRCSMMLX-UHFFFAOYSA-N -1 3 376.460 2.768 50 0 GFAAHM Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c([O-])c1 ZINC000012974750 210038587 /nfs/dbraw/zinc/03/85/87/210038587.db2.gz YVQJTEHCFSOSAX-INIZCTEOSA-N -1 3 378.425 2.632 50 0 GFAAHM O=C([N-]c1nn(Cc2ccc(Cl)cc2)cc1Cl)c1nc2ncccn2n1 ZINC000002808590 209387722 /nfs/dbraw/zinc/38/77/22/209387722.db2.gz WCUQKGZBSCZEMM-UHFFFAOYSA-N -1 3 388.218 2.928 50 0 GFAAHM O=S(=O)([N-]CCOc1ccc(-c2ccc(F)cc2)nn1)c1ccccc1F ZINC000009852876 209318756 /nfs/dbraw/zinc/31/87/56/209318756.db2.gz SQXJRQOWDWOVCR-UHFFFAOYSA-N -1 3 391.399 2.779 50 0 GFAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cn3ccccc3=O)cc2)cc1 ZINC000009640575 209278731 /nfs/dbraw/zinc/27/87/31/209278731.db2.gz VQVPEVZWFDUZJN-UHFFFAOYSA-N -1 3 397.456 2.596 50 0 GFAAHM COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCC(F)(F)F)cc(Cl)c1[O-] ZINC000000706335 209260862 /nfs/dbraw/zinc/26/08/62/209260862.db2.gz LZURMMBFDNROIH-LLVKDONJSA-N -1 3 394.733 2.788 50 0 GFAAHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@@](O)(c1ccoc1)c1cccs1 ZINC000245020811 209214738 /nfs/dbraw/zinc/21/47/38/209214738.db2.gz MIGFUTVVYSADCR-QGZVFWFLSA-N -1 3 397.449 2.703 50 0 GFAAHM CC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000100741895 211391404 /nfs/dbraw/zinc/39/14/04/211391404.db2.gz MCXCMJUZCCQTSH-WMZOPIPTSA-N -1 3 381.819 2.972 50 0 GFAAHM CC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000100563738 211388761 /nfs/dbraw/zinc/38/87/61/211388761.db2.gz IFXNLWGISLOJJV-FUHWJXTLSA-N -1 3 381.819 2.972 50 0 GFAAHM CC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100563719 211388540 /nfs/dbraw/zinc/38/85/40/211388540.db2.gz XIKVBMYVPJXHPI-WMZOPIPTSA-N -1 3 381.819 2.972 50 0 GFAAHM COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCOCC2)cc1 ZINC000095475230 211247409 /nfs/dbraw/zinc/24/74/09/211247409.db2.gz BYXHYKGRMMATDC-INIZCTEOSA-N -1 3 375.450 2.961 50 0 GFAAHM O=C([O-])[C@H](c1cnn(Cc2ccccc2)c1)N1CCC(Cn2cccn2)CC1 ZINC000095361020 211223040 /nfs/dbraw/zinc/22/30/40/211223040.db2.gz HDMDXYLLFOOIFA-FQEVSTJZSA-N -1 3 379.464 2.666 50 0 GFAAHM CN(C)C[C@@H](c1ccccc1)N(C)C(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC000091664626 211201939 /nfs/dbraw/zinc/20/19/39/211201939.db2.gz BVZGWOYEGADNSR-IBGZPJMESA-N -1 3 376.460 2.812 50 0 GFAAHM Cc1cc(C(=O)N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)ccc1[O-] ZINC000091746046 211205530 /nfs/dbraw/zinc/20/55/30/211205530.db2.gz WSFXASFFEFPOPC-SFHVURJKSA-N -1 3 386.492 2.724 50 0 GFAAHM O=C(c1cnc[n-]c1=O)N1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000071415770 211047244 /nfs/dbraw/zinc/04/72/44/211047244.db2.gz CJPNXFRMMNZUCI-LJQANCHMSA-N -1 3 389.455 2.833 50 0 GFAAHM CCn1nc(C(=O)[O-])c2c1CC[C@@H](N(C)Cc1cc(-c3cccnc3)no1)C2 ZINC000071278809 211042800 /nfs/dbraw/zinc/04/28/00/211042800.db2.gz FWDKJACTMCBGKA-CQSZACIVSA-N -1 3 381.436 2.641 50 0 GFAAHM O=C(c1ccccc1[O-])N1C[C@H]2OC(=O)N(CCc3cccc(Cl)c3)[C@H]2C1 ZINC000067757239 211021265 /nfs/dbraw/zinc/02/12/65/211021265.db2.gz ASRLWHKQWHHUSQ-FUHWJXTLSA-N -1 3 386.835 2.934 50 0 GFAAHM O=C1COc2cc(S(=O)(=O)[N-][C@@H]3C[C@H]3c3cccc(F)c3)c(Cl)cc2N1 ZINC000065795260 211000617 /nfs/dbraw/zinc/00/06/17/211000617.db2.gz ICIQRUZCMFFCJT-WCQYABFASA-N -1 3 396.827 2.644 50 0 GFAAHM CCc1cccc(CC)c1NC(=O)CSc1[n-]c(=O)nc(C)c1C(=O)OC ZINC000031618381 210564677 /nfs/dbraw/zinc/56/46/77/210564677.db2.gz HJZSVHPTHWTCMD-UHFFFAOYSA-N -1 3 389.477 2.721 50 0 GFAAHM CN1CCN([C@H]2CCN(c3nccc4ccccc43)C[C@H]2CCC(=O)[O-])CC1 ZINC000095354577 536417804 /nfs/dbraw/zinc/41/78/04/536417804.db2.gz GSUZGAUZPQQQFG-QUCCMNQESA-N -1 3 382.508 2.542 50 0 GFAAHM CC(C)c1nc(S(=O)(=O)[N-]Cc2nccnc2-c2ccsc2)cn1C ZINC000575620951 564701240 /nfs/dbraw/zinc/70/12/40/564701240.db2.gz WXUKBAMOUKXYCF-UHFFFAOYSA-N -1 3 377.495 2.541 50 0 GFAAHM COc1ccc(NCc2cc(=O)n3nc(NCc4ccccc4)[n-]c3n2)cc1 ZINC000101795766 570283939 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GFAAHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)OCc1nc2ccccc2s1 ZINC000006779566 570586447 /nfs/dbraw/zinc/58/64/47/570586447.db2.gz OGAQORAESAZXAA-NSHDSACASA-N -1 3 394.449 2.846 50 0 GFAAHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cccnc1N(C)Cc1ccccc1 ZINC000012052858 570601399 /nfs/dbraw/zinc/60/13/99/570601399.db2.gz PTHRQNGGPREQKO-UHFFFAOYSA-N -1 3 386.477 2.801 50 0 GFAAHM CCC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)c1 ZINC000225769025 570614981 /nfs/dbraw/zinc/61/49/81/570614981.db2.gz XGFUFELVNCNYDK-JOCHJYFZSA-N -1 3 382.460 2.907 50 0 GFAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccc(C(N)=O)n3)cc2)cc1 ZINC000058245046 570722800 /nfs/dbraw/zinc/72/28/00/570722800.db2.gz IFFLSJXMABJBOP-UHFFFAOYSA-N -1 3 384.461 2.895 50 0 GFAAHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]Cc3ccc(Cl)cc3)cc2C1 ZINC000065196095 570728401 /nfs/dbraw/zinc/72/84/01/570728401.db2.gz UCHGCTOIVCABCQ-UHFFFAOYSA-N -1 3 384.910 2.785 50 0 GFAAHM Cc1cc(NC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)ccc1Br ZINC000005827138 570795221 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GFAAHM COc1ccccc1NCc1cc(=O)n2nc(NCc3ccc(F)cc3)[n-]c2n1 ZINC000101796502 570834309 /nfs/dbraw/zinc/83/43/09/570834309.db2.gz DAXILCARJBCTBL-UHFFFAOYSA-N -1 3 394.410 2.790 50 0 GFAAHM COc1cccc(C2=NOC3=C([O-])N(c4ccc(C)cc4C)C(=O)[C@@H]23)c1OC ZINC000102886399 570870462 /nfs/dbraw/zinc/87/04/62/570870462.db2.gz SKYLPMMVVCJGCG-LPHOPBHVSA-N -1 3 380.400 2.613 50 0 GFAAHM CC(C)c1[n-]n(-c2ccccc2)c(=O)c1C(=O)CCS(=O)(=O)C1CCCC1 ZINC000103614524 570887224 /nfs/dbraw/zinc/88/72/24/570887224.db2.gz XCRVKKCGRHZEMY-SFHVURJKSA-N -1 3 390.505 2.978 50 0 GFAAHM O=C(NCc1cccc(F)c1)N1CCc2c(=O)[n-]c(-c3ccc(F)cc3)nc2C1 ZINC000097122888 570897488 /nfs/dbraw/zinc/89/74/88/570897488.db2.gz VCGGHYIVUMUHHD-UHFFFAOYSA-N -1 3 396.397 2.983 50 0 GFAAHM Cc1nc([N-]C(=O)c2coc(NC(=O)Cc3c(C)noc3C)n2)sc1C ZINC000211073236 570968078 /nfs/dbraw/zinc/96/80/78/570968078.db2.gz ZKHVWVZFXSXOPC-UHFFFAOYSA-N -1 3 375.410 2.786 50 0 GFAAHM C[C@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000019357509 570979049 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Cc1ccnc(NC(=O)CC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000009368892 221079140 /nfs/dbraw/zinc/07/91/40/221079140.db2.gz YSQYWXSVYWOYJS-UHFFFAOYSA-N -1 3 387.383 2.716 50 0 GFAAHM COc1ccc(-c2cc(=O)[n-]c(N3CCN(c4ccccc4F)CC3)n2)cc1 ZINC000009668955 221089334 /nfs/dbraw/zinc/08/93/34/221089334.db2.gz YUOICYSXKMNGHK-UHFFFAOYSA-N -1 3 380.423 2.911 50 0 GFAAHM CCOc1ccccc1C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011450666 221115831 /nfs/dbraw/zinc/11/58/31/221115831.db2.gz AKVDXHHXHLQYTO-UHFFFAOYSA-N -1 3 394.518 2.730 50 0 GFAAHM CCn1c2ccccc2nc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000012530817 221203438 /nfs/dbraw/zinc/20/34/38/221203438.db2.gz HKVAOEAJNVOONB-GFCCVEGCSA-N -1 3 390.440 2.501 50 0 GFAAHM COc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)cc1Cl ZINC000012748982 221224663 /nfs/dbraw/zinc/22/46/63/221224663.db2.gz CWQNUUHMVNIFTL-JTQLQIEISA-N -1 3 386.832 2.793 50 0 GFAAHM CC[C@H](C(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccccc1 ZINC000013718727 221284676 /nfs/dbraw/zinc/28/46/76/221284676.db2.gz UTYMPOHVZSZTFC-KRWDZBQOSA-N -1 3 387.443 2.919 50 0 GFAAHM COCCNC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2C)cc1 ZINC000013850734 221292029 /nfs/dbraw/zinc/29/20/29/221292029.db2.gz OTCJKGLKGNNWFB-UHFFFAOYSA-N -1 3 390.505 2.718 50 0 GFAAHM O=C(c1cccc(Cl)c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000015590151 221337813 /nfs/dbraw/zinc/33/78/13/221337813.db2.gz SASLVDZTDKUZBY-UHFFFAOYSA-N -1 3 384.910 2.985 50 0 GFAAHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000021890201 136203380 /nfs/dbraw/zinc/20/33/80/136203380.db2.gz RYYQKJLIYYDRTB-UHFFFAOYSA-N -1 3 387.505 2.832 50 0 GFAAHM O=c1ccc(-c2csc(S(=O)(=O)[N-]Cc3ccc(F)cc3Cl)c2)n[nH]1 ZINC000065129072 222102224 /nfs/dbraw/zinc/10/22/24/222102224.db2.gz YKIFCTZAWKVEJA-UHFFFAOYSA-N -1 3 399.856 2.769 50 0 GFAAHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CCC(c2ccccc2)CC1 ZINC000058394089 222051257 /nfs/dbraw/zinc/05/12/57/222051257.db2.gz DMJSDFYHZIFDOQ-UHFFFAOYSA-N -1 3 389.455 2.664 50 0 GFAAHM COc1ccc(C(=O)NCc2cn3cc(Br)ccc3n2)c([O-])c1 ZINC000058407133 222052431 /nfs/dbraw/zinc/05/24/31/222052431.db2.gz VBRJAGAEVJJGSC-UHFFFAOYSA-N -1 3 376.210 2.741 50 0 GFAAHM Cc1cccc(Cc2nnc(CC[N-]S(=O)(=O)c3ccc(Cl)s3)[nH]2)c1 ZINC000064969850 222091159 /nfs/dbraw/zinc/09/11/59/222091159.db2.gz IUPUNVVTZHTQRE-UHFFFAOYSA-N -1 3 396.925 2.940 50 0 GFAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1COc2c(cccc2OC)C1 ZINC000065330243 222124169 /nfs/dbraw/zinc/12/41/69/222124169.db2.gz SUGDXRDKVJWSKD-CYBMUJFWSA-N -1 3 383.853 2.639 50 0 GFAAHM CC(=O)Cc1nsc([N-]C(=O)c2nnn(Cc3ccccc3)c2C(C)C)n1 ZINC000067225431 222141347 /nfs/dbraw/zinc/14/13/47/222141347.db2.gz SJOTXDDPLGSANE-UHFFFAOYSA-N -1 3 384.465 2.685 50 0 GFAAHM Cc1nc(C)c(CC(=O)N2CCC[C@H](c3n[nH]cc3-c3ccccc3)C2)c(=O)[n-]1 ZINC000067817631 222160835 /nfs/dbraw/zinc/16/08/35/222160835.db2.gz GTNQRJOIIYHWOJ-KRWDZBQOSA-N -1 3 391.475 2.726 50 0 GFAAHM Cc1nc(C)c(CC(=O)N2CCC[C@H](c3[nH]ncc3-c3ccccc3)C2)c(=O)[n-]1 ZINC000067817631 222160837 /nfs/dbraw/zinc/16/08/37/222160837.db2.gz GTNQRJOIIYHWOJ-KRWDZBQOSA-N -1 3 391.475 2.726 50 0 GFAAHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1cccc(N2CCOC2=O)c1 ZINC000068663996 222171367 /nfs/dbraw/zinc/17/13/67/222171367.db2.gz ZGRTUMGHJTWXLU-ZDUSSCGKSA-N -1 3 377.400 2.976 50 0 GFAAHM O=S(=O)([N-]Cc1ccc2c(c1)OCO2)c1ccc(Br)cc1F ZINC000068741088 222173271 /nfs/dbraw/zinc/17/32/71/222173271.db2.gz PMMQDGWWTGZKJS-UHFFFAOYSA-N -1 3 388.214 2.795 50 0 GFAAHM Cc1nn(C)c(C)c1CN(C)C[C@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000071279629 222178630 /nfs/dbraw/zinc/17/86/30/222178630.db2.gz RGYWQWXSHYSJBF-AWEZNQCLSA-N -1 3 392.887 2.852 50 0 GFAAHM C[C@@H]1CN(CCCC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)C[C@@H](C)O1 ZINC000079108138 222303464 /nfs/dbraw/zinc/30/34/64/222303464.db2.gz URVGPQAFBUQEJI-ZIAGYGMSSA-N -1 3 394.459 2.873 50 0 GFAAHM Cc1cc(-c2nnn(Cc3nc4c5ccccc5oc4c(=O)[n-]3)n2)ccc1F ZINC000079309279 222305026 /nfs/dbraw/zinc/30/50/26/222305026.db2.gz FTXIWMHVBNUUNY-UHFFFAOYSA-N -1 3 376.351 2.819 50 0 GFAAHM COc1cc([C@H]2c3c(C)[nH]nc3N=C3COC(=O)C32)cc(Br)c1[O-] ZINC000020086724 551115093 /nfs/dbraw/zinc/11/50/93/551115093.db2.gz JYGCEPQVPMXPDO-LBPRGKRZSA-N -1 3 392.209 2.563 50 0 GFAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000244716145 553088628 /nfs/dbraw/zinc/08/86/28/553088628.db2.gz LJFQIZQCJLEGND-PPHDSNJXSA-N -1 3 382.869 2.534 50 0 GFAAHM C[C@]1(c2cccc(NC(=O)COCc3ccccc3Cl)c2)NC(=O)[N-]C1=O ZINC000048365008 570245482 /nfs/dbraw/zinc/24/54/82/570245482.db2.gz IYEOPXJPDBLGHZ-LJQANCHMSA-N -1 3 387.823 2.550 50 0 GFAAHM Cc1nc(-c2nnc([N-]C(=O)c3cccc(S(=O)(=O)C(C)C)c3)o2)cs1 ZINC000049029264 570260450 /nfs/dbraw/zinc/26/04/50/570260450.db2.gz DTYIECSLQQDKMV-UHFFFAOYSA-N -1 3 392.462 2.936 50 0 GFAAHM Cc1cccc(CN2CCN(Cc3ccc([O-])c(Cl)c3)C[C@@H]2CCO)n1 ZINC000020781299 570280445 /nfs/dbraw/zinc/28/04/45/570280445.db2.gz ZLVUAVNLUMZKME-SFHVURJKSA-N -1 3 375.900 2.818 50 0 GFAAHM C[C@H](OC(=O)c1cccc([N-]S(C)(=O)=O)c1)C(=O)NCCC1=CCCCC1 ZINC000021249720 570289671 /nfs/dbraw/zinc/28/96/71/570289671.db2.gz HSPYCHIPVCQVEU-AWEZNQCLSA-N -1 3 394.493 2.610 50 0 GFAAHM CCOC(=O)[C@@]([N-]c1cccc(F)c1)(NC(=O)c1cccnc1)C(F)(F)F ZINC000003103504 570328699 /nfs/dbraw/zinc/32/86/99/570328699.db2.gz PGTVWQREPPERHC-MRXNPFEDSA-N -1 3 385.317 2.884 50 0 GFAAHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c(F)cc1F ZINC000024428335 570383574 /nfs/dbraw/zinc/38/35/74/570383574.db2.gz BYIRKFLYTTXQGV-UHFFFAOYSA-N -1 3 399.371 2.714 50 0 GFAAHM CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000004949328 570419458 /nfs/dbraw/zinc/41/94/58/570419458.db2.gz UIWCYFRHVIRNJY-CQSZACIVSA-N -1 3 396.852 2.877 50 0 GFAAHM CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2C)cc1 ZINC000004986177 570421434 /nfs/dbraw/zinc/42/14/34/570421434.db2.gz LKPNQAHKEJJSQL-UHFFFAOYSA-N -1 3 397.460 2.877 50 0 GFAAHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1N(C)S(C)(=O)=O ZINC000005516250 570444028 /nfs/dbraw/zinc/44/40/28/570444028.db2.gz QSXXFJXZLCFQBD-UHFFFAOYSA-N -1 3 398.506 2.509 50 0 GFAAHM Cc1cc(C)n2nc(C(=O)[N-]c3nc(CN4CCC[C@H](C)C4)cs3)nc2n1 ZINC000028683380 570462706 /nfs/dbraw/zinc/46/27/06/570462706.db2.gz RJZZHZKRJFCEPI-NSHDSACASA-N -1 3 385.497 2.682 50 0 GFAAHM O=C(NCc1ccccc1)c1cc2c(ccn(Cc3ccccc3)c2=O)[n-]c1=O ZINC000006667961 570527141 /nfs/dbraw/zinc/52/71/41/570527141.db2.gz ANGQSJRGDOLZLJ-UHFFFAOYSA-N -1 3 385.423 2.668 50 0 GFAAHM CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)[N-]c1cc(C(C)(C)C)no1 ZINC000032971640 570557189 /nfs/dbraw/zinc/55/71/89/570557189.db2.gz PPXSUKDJASRFKX-OAHLLOKOSA-N -1 3 391.493 2.687 50 0 GFAAHM COc1cccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCC[C@@H](C)C2)c1[O-] ZINC000055309073 570690759 /nfs/dbraw/zinc/69/07/59/570690759.db2.gz GQXXGDJAUOOXOA-CYBMUJFWSA-N -1 3 383.448 2.988 50 0 GFAAHM CC1CCN(Cc2cc(=O)n3nc(NCc4ccccc4Cl)[n-]c3n2)CC1 ZINC000101796150 570834422 /nfs/dbraw/zinc/83/44/22/570834422.db2.gz KIYWHCKDZSBVER-UHFFFAOYSA-N -1 3 386.887 2.915 50 0 GFAAHM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000032889490 570888541 /nfs/dbraw/zinc/88/85/41/570888541.db2.gz FUWBMNKFTKMAFR-LLVKDONJSA-N -1 3 397.497 2.857 50 0 GFAAHM CCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000032905548 570904041 /nfs/dbraw/zinc/90/40/41/570904041.db2.gz VTXXSCJVLCDAOL-LBPRGKRZSA-N -1 3 377.470 2.839 50 0 GFAAHM Cc1cc2nc(CCNC(=O)N3CCC[C@@H](c4cc(=O)[n-]cn4)C3)[nH]c2cc1C ZINC000534647928 570917167 /nfs/dbraw/zinc/91/71/67/570917167.db2.gz CLVNEBWSQKQDHB-OAHLLOKOSA-N -1 3 394.479 2.807 50 0 GFAAHM Cc1nc2sc([C@@H](c3cccs3)N3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000023158212 570920727 /nfs/dbraw/zinc/92/07/27/570920727.db2.gz MGZNCTZJEFHRHS-CYBMUJFWSA-N -1 3 392.506 2.795 50 0 GFAAHM CC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000004811393 570998863 /nfs/dbraw/zinc/99/88/63/570998863.db2.gz MCXCMJUZCCQTSH-FUHWJXTLSA-N -1 3 381.819 2.972 50 0 GFAAHM O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cnc(-c2cccs2)[n-]c1=O ZINC000091656033 571023308 /nfs/dbraw/zinc/02/33/08/571023308.db2.gz LOWKMRWTAZTFCW-UHFFFAOYSA-N -1 3 383.408 2.899 50 0 GFAAHM C[C@H](C(=O)[O-])N1CC2(CCC1=O)CCN(CCSc1ccccc1)CC2 ZINC000091858238 571033545 /nfs/dbraw/zinc/03/35/45/571033545.db2.gz JPQHQQSFYCBRMN-MRXNPFEDSA-N -1 3 376.522 2.956 50 0 GFAAHM Cc1nc(C2CCN(C(=O)c3ccc4nc(C)c(C)nc4c3)CC2)cc(=O)[n-]1 ZINC000095361012 571054870 /nfs/dbraw/zinc/05/48/70/571054870.db2.gz XHHASYIFWFXWSC-UHFFFAOYSA-N -1 3 377.448 2.658 50 0 GFAAHM COc1cc(C(=O)[N-]c2nnc(C)s2)c(Br)c(OC)c1OC ZINC000000939868 212197334 /nfs/dbraw/zinc/19/73/34/212197334.db2.gz FDCGHJGYWKBUHR-UHFFFAOYSA-N -1 3 388.243 2.887 50 0 GFAAHM O=C1C[C@H](C[N-]S(=O)(=O)c2ccccc2F)CN1c1ccc(Cl)cc1 ZINC000009036756 212162330 /nfs/dbraw/zinc/16/23/30/212162330.db2.gz CCRNNXMMVPDZHJ-GFCCVEGCSA-N -1 3 382.844 2.811 50 0 GFAAHM Cc1ccc(NC(=O)[C@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)c([O-])c1 ZINC000007782942 221011789 /nfs/dbraw/zinc/01/17/89/221011789.db2.gz RMSJAHXGHGDDJJ-AWEZNQCLSA-N -1 3 399.472 2.500 50 0 GFAAHM NC(=O)c1ccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000008744857 221054431 /nfs/dbraw/zinc/05/44/31/221054431.db2.gz IDUAHJDSMIDYJX-UHFFFAOYSA-N -1 3 377.429 2.912 50 0 GFAAHM CCOc1ccccc1CNC(=O)[C@@H]([N-]S(=O)(=O)c1cccs1)C(C)C ZINC000009528434 221083969 /nfs/dbraw/zinc/08/39/69/221083969.db2.gz PBISDWSPCDOWAR-KRWDZBQOSA-N -1 3 396.534 2.766 50 0 GFAAHM Cc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)N3CCC(C)CC3)n2)cc1 ZINC000009640670 221087864 /nfs/dbraw/zinc/08/78/64/221087864.db2.gz YNLNKKOCGMZLHW-UHFFFAOYSA-N -1 3 397.504 2.744 50 0 GFAAHM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]CCc3ccco3)s2)on1 ZINC000009689033 221090429 /nfs/dbraw/zinc/09/04/29/221090429.db2.gz HNTNGVOVYPDQIJ-UHFFFAOYSA-N -1 3 396.446 2.694 50 0 GFAAHM CCN(CCCNC(=O)c1c([O-])nc2cc(C)ccn2c1=O)c1cccc(C)c1 ZINC000009830187 221091909 /nfs/dbraw/zinc/09/19/09/221091909.db2.gz IHTYMJRBZAZRCF-UHFFFAOYSA-N -1 3 394.475 2.663 50 0 GFAAHM Cc1ccc(C(=O)Nc2ncccc2[O-])cc1S(=O)(=O)NCc1ccccc1 ZINC000012527191 221202935 /nfs/dbraw/zinc/20/29/35/221202935.db2.gz BPEKWCJAEZWNEL-UHFFFAOYSA-N -1 3 397.456 2.826 50 0 GFAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)CCCOc1ccc(F)cc1 ZINC000012867277 221240465 /nfs/dbraw/zinc/24/04/65/221240465.db2.gz NVEOIZMZGLFIIZ-UHFFFAOYSA-N -1 3 375.425 2.941 50 0 GFAAHM CCOc1ccc(Oc2ccc(NC(=O)CC[C@H]3NC(=O)[N-]C3=O)cc2)cc1 ZINC000012899407 221243072 /nfs/dbraw/zinc/24/30/72/221243072.db2.gz TUBFYAXFXXDDMR-QGZVFWFLSA-N -1 3 383.404 2.804 50 0 GFAAHM CCCNC(=O)CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000017286158 221382575 /nfs/dbraw/zinc/38/25/75/221382575.db2.gz XDSDTNNLOOSWRL-UHFFFAOYSA-N -1 3 377.857 2.793 50 0 GFAAHM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccccc3)ccc21 ZINC000017316573 221383584 /nfs/dbraw/zinc/38/35/84/221383584.db2.gz PGTHJEPFLDDKRV-UHFFFAOYSA-N -1 3 380.491 2.590 50 0 GFAAHM COc1ccc(C2=NOC3=C([O-])N(c4ccc(C)cc4C)C(=O)[C@H]23)cc1OC ZINC000018209443 221390475 /nfs/dbraw/zinc/39/04/75/221390475.db2.gz MNLFDKMPGGSOKV-MJGOQNOKSA-N -1 3 380.400 2.613 50 0 GFAAHM Cc1cccc(N2CCN(Cc3cccc(-c4nc(C)cc(=O)[n-]4)c3)CC2)n1 ZINC000019114130 221396822 /nfs/dbraw/zinc/39/68/22/221396822.db2.gz AHHBJLUTYJDJLV-UHFFFAOYSA-N -1 3 375.476 2.771 50 0 GFAAHM O=c1[n-]c(CN2CCN(c3ccccc3)CC2)nc2c1cnn2-c1ccccc1 ZINC000095352102 136177939 /nfs/dbraw/zinc/17/79/39/136177939.db2.gz NVOJLFBICWHLPR-UHFFFAOYSA-N -1 3 386.459 2.843 50 0 GFAAHM CCN1CCC[C@H]1Cn1c2ccc(C(=O)[O-])cc2n(C[C@@H]2CCCCO2)c1=O ZINC000055283501 222021135 /nfs/dbraw/zinc/02/11/35/222021135.db2.gz YOIJEDREJXBJAM-IRXDYDNUSA-N -1 3 387.480 2.555 50 0 GFAAHM CCc1nnc(-c2csc(S(=O)(=O)[N-]Cc3ccc4c(c3)OCO4)c2)o1 ZINC000065098639 222101080 /nfs/dbraw/zinc/10/10/80/222101080.db2.gz QCVJPQNGABCNMJ-UHFFFAOYSA-N -1 3 393.446 2.568 50 0 GFAAHM COc1ccccc1[N-]C(=O)c1nc(-c2cn(-c3cccc(F)c3)nn2)no1 ZINC000065236734 222114262 /nfs/dbraw/zinc/11/42/62/222114262.db2.gz VLJAUVBVUHGJCQ-UHFFFAOYSA-N -1 3 380.339 2.717 50 0 GFAAHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3Oc4ccccc4O[C@H]3C)c2)n1 ZINC000060774375 222060007 /nfs/dbraw/zinc/06/00/07/222060007.db2.gz YNXQYKPVFMJEQD-DJJJIMSYSA-N -1 3 377.400 2.912 50 0 GFAAHM O=c1ccc(-c2ccc(Cl)c(S(=O)(=O)[N-]Cc3ccccc3)c2)n[nH]1 ZINC000064837157 222083721 /nfs/dbraw/zinc/08/37/21/222083721.db2.gz YAFSMMZHRZYWAI-UHFFFAOYSA-N -1 3 375.837 2.569 50 0 GFAAHM O=c1[n-]c(=O)c(CN2CCc3[nH]nc(-c4ccc(-c5ccccc5)cc4)c3C2)c[nH]1 ZINC000067675719 222153769 /nfs/dbraw/zinc/15/37/69/222153769.db2.gz IXHZJUDIQWLUDO-UHFFFAOYSA-N -1 3 399.454 2.679 50 0 GFAAHM COc1ccc(-c2c3sc(=O)nc-3[nH]c3c2c(=O)[n-]n3C(C)C)c(OC)c1 ZINC000072403306 222253121 /nfs/dbraw/zinc/25/31/21/222253121.db2.gz XKLSCOOROCNIOB-UHFFFAOYSA-N -1 3 386.433 2.893 50 0 GFAAHM O=C([O-])c1ccnc(-c2ccnc(N3CCCN(Cc4ccccc4)CC3)n2)c1 ZINC000071752485 222191712 /nfs/dbraw/zinc/19/17/12/222191712.db2.gz URVRGYPPFKWEAG-UHFFFAOYSA-N -1 3 389.459 2.949 50 0 GFAAHM COC(=O)c1ccc(C(c2oc(C)cc(=O)c2[O-])c2oc(C)cc(=O)c2O)cc1 ZINC000085878506 222325633 /nfs/dbraw/zinc/32/56/33/222325633.db2.gz ZKNLNZFMGWBQGM-UHFFFAOYSA-N -1 3 398.367 2.588 50 0 GFAAHM CCn1c(SCC(=O)Nc2ccc(C)cc2Cl)nc2c1nc[n-]c2=O ZINC000085703856 222325850 /nfs/dbraw/zinc/32/58/50/222325850.db2.gz HGTOWBMCUPQETK-UHFFFAOYSA-N -1 3 377.857 2.832 50 0 GFAAHM O=C(c1cccc([O-])c1)N1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000095503089 222336888 /nfs/dbraw/zinc/33/68/88/222336888.db2.gz YMEZNTPSRJUBMG-HSZRJFAPSA-N -1 3 393.487 2.875 50 0 GFAAHM Cc1cccc2sc([N-]C(=O)c3coc(NC(=O)c4cnccn4)n3)nc21 ZINC000077196588 222275595 /nfs/dbraw/zinc/27/55/95/222275595.db2.gz SZIHKAVXCSEJHP-UHFFFAOYSA-N -1 3 380.389 2.887 50 0 GFAAHM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)NC(=O)C3)c1 ZINC000032817719 551131780 /nfs/dbraw/zinc/13/17/80/551131780.db2.gz USVKMNIBKWQMOP-UHFFFAOYSA-N -1 3 382.825 2.653 50 0 GFAAHM COc1ccc([C@H]2OCC[C@@H]2[N-]S(=O)(=O)c2cc(C)c(Cl)s2)cn1 ZINC000328813668 563465575 /nfs/dbraw/zinc/46/55/75/563465575.db2.gz NLQGSIZXEJWPKV-SMDDNHRTSA-N -1 3 388.898 2.922 50 0 GFAAHM CCOc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc(Br)c1[O-] ZINC000000684062 570217490 /nfs/dbraw/zinc/21/74/90/570217490.db2.gz DHSQYFUMGHBRNV-ZDUSSCGKSA-N -1 3 399.241 2.697 50 0 GFAAHM Cc1cccc(C(=O)NCCC(=O)OCc2cc(=O)oc3c(C)c([O-])ccc23)c1 ZINC000012847839 570265630 /nfs/dbraw/zinc/26/56/30/570265630.db2.gz NNGGSFCGTFXKDB-UHFFFAOYSA-N -1 3 395.411 2.979 50 0 GFAAHM COC(=O)C1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(Br)ccc32)CC1 ZINC000020718352 570275812 /nfs/dbraw/zinc/27/58/12/570275812.db2.gz VKHFFYBFKQQCQG-OAHLLOKOSA-N -1 3 395.253 2.941 50 0 GFAAHM COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1 ZINC000002502104 570288860 /nfs/dbraw/zinc/28/88/60/570288860.db2.gz RUVFDGOFCYCCJZ-RVKKMQEKSA-N -1 3 394.349 2.799 50 0 GFAAHM O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000048250598 570310491 /nfs/dbraw/zinc/31/04/91/570310491.db2.gz SHZDQQJUEGLDSQ-CQSZACIVSA-N -1 3 399.403 2.674 50 0 GFAAHM Cc1cc(C)n([C@@H](C[N-]S(=O)(=O)c2cn(C(C)C)cn2)c2cccs2)n1 ZINC000575611808 570336013 /nfs/dbraw/zinc/33/60/13/570336013.db2.gz XPQOSFUZSYXPMQ-HNNXBMFYSA-N -1 3 393.538 2.907 50 0 GFAAHM CC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000100563707 570395307 /nfs/dbraw/zinc/39/53/07/570395307.db2.gz RALOPTKVLRYTAT-FUHWJXTLSA-N -1 3 381.819 2.972 50 0 GFAAHM CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000004742550 570401444 /nfs/dbraw/zinc/40/14/44/570401444.db2.gz NYPZRFUEMLINMN-UHFFFAOYSA-N -1 3 389.477 2.696 50 0 GFAAHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000025792916 570419926 /nfs/dbraw/zinc/41/99/26/570419926.db2.gz VXPUZQVSUSSZHK-AWEZNQCLSA-N -1 3 391.786 2.595 50 0 GFAAHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)OC ZINC000227681958 570435928 /nfs/dbraw/zinc/43/59/28/570435928.db2.gz SWIIQFGDIQWLCJ-NQYLQCIDSA-N -1 3 395.521 2.698 50 0 GFAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)Nc3ccc4c(c3)OCO4)cc2O1 ZINC000006624208 570508261 /nfs/dbraw/zinc/50/82/61/570508261.db2.gz GNDCXZNEFPFMPY-UHFFFAOYSA-N -1 3 385.372 2.882 50 0 GFAAHM CCc1nc2sc([C@H](c3ccc(OC)cc3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855211 570558067 /nfs/dbraw/zinc/55/80/67/570558067.db2.gz 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GFAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)N[C@H]3CCOC(C)(C)C3)cc2O1 ZINC000070666455 222177684 /nfs/dbraw/zinc/17/76/84/222177684.db2.gz LFPMWWOGEGYOIL-LBPRGKRZSA-N -1 3 377.437 2.589 50 0 GFAAHM COc1ccccc1[C@H]1CN(c2ncccc2C(=O)[O-])[C@H]2[C@@H]1N1CCC2CC1 ZINC000072128990 222208935 /nfs/dbraw/zinc/20/89/35/222208935.db2.gz FQZDPSSZQLZQHR-MISYRCLQSA-N -1 3 379.460 2.855 50 0 GFAAHM Cc1ccc(NC(=O)[C@H]2C[C@H](C(=O)[O-])CN(Cc3cccc(F)c3C)C2)cn1 ZINC000072142068 222211164 /nfs/dbraw/zinc/21/11/64/222211164.db2.gz UQXSWOZALGBVTR-IRXDYDNUSA-N -1 3 385.439 2.999 50 0 GFAAHM CN(C(=O)CSc1nc2c(nc[n-]c2=O)n1-c1ccccc1)c1ccccc1 ZINC000085703894 222325855 /nfs/dbraw/zinc/32/58/55/222325855.db2.gz WUYGRJFZAJGZSV-UHFFFAOYSA-N -1 3 391.456 2.864 50 0 GFAAHM CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000095498905 222331889 /nfs/dbraw/zinc/33/18/89/222331889.db2.gz VBMFAIJWEIQKKR-OAHLLOKOSA-N -1 3 376.888 2.824 50 0 GFAAHM CCCCn1ccnc1C1CCN(C(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000095511231 222342629 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Cc1cc(S(=O)(=O)N[C@H]2C[C@@H](c3cc(=O)[n-]c(C4CC4)n3)C2)c(C)s1 ZINC000253535111 553151608 /nfs/dbraw/zinc/15/16/08/553151608.db2.gz CZUYFDODOYXWQA-BETUJISGSA-N -1 3 379.507 2.962 50 0 GFAAHM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ncccc1Br)c1ccccc1 ZINC000660029717 565240313 /nfs/dbraw/zinc/24/03/13/565240313.db2.gz ZQHICUZFSUBMPG-LSDHHAIUSA-N -1 3 399.310 2.881 50 0 GFAAHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccc(N3CCCC3=O)cc1)c2=O ZINC000048271985 570225558 /nfs/dbraw/zinc/22/55/58/570225558.db2.gz CDOUZMIJXBOYIG-UHFFFAOYSA-N -1 3 377.400 2.916 50 0 GFAAHM COc1ccc2c(c1)ncc(C(=O)Nc1ccc(N3CCCC3=O)cc1)c2[O-] ZINC000048271985 570225561 /nfs/dbraw/zinc/22/55/61/570225561.db2.gz CDOUZMIJXBOYIG-UHFFFAOYSA-N -1 3 377.400 2.916 50 0 GFAAHM CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000100563733 570273276 /nfs/dbraw/zinc/27/32/76/570273276.db2.gz UHIKKLARGMKIGC-WMZOPIPTSA-N -1 3 381.819 2.972 50 0 GFAAHM CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000023078888 570343002 /nfs/dbraw/zinc/34/30/02/570343002.db2.gz FKBQIFSORLMPED-UHFFFAOYSA-N -1 3 383.429 2.865 50 0 GFAAHM CC(=O)c1ccc(OC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1 ZINC000024488425 570384830 /nfs/dbraw/zinc/38/48/30/570384830.db2.gz WCYCRYLDFXAYAG-UHFFFAOYSA-N -1 3 377.393 2.688 50 0 GFAAHM CN(C)C(=O)[C@@H]1CCCN1Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000027566924 570435904 /nfs/dbraw/zinc/43/59/04/570435904.db2.gz HIUOLUYYYQMFSS-HNNXBMFYSA-N -1 3 382.489 2.704 50 0 GFAAHM CC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100737077 570436639 /nfs/dbraw/zinc/43/66/39/570436639.db2.gz UBJDQTIAFFESPR-FUHWJXTLSA-N -1 3 381.819 2.972 50 0 GFAAHM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1OC ZINC000028248650 570453098 /nfs/dbraw/zinc/45/30/98/570453098.db2.gz CVOHTVYEZNFKRB-UHFFFAOYSA-N -1 3 398.868 2.794 50 0 GFAAHM Cc1cc([N-]C(=O)[C@H](C)N2CCN(Cc3ccc(F)cc3Cl)CC2)on1 ZINC000030154943 570486711 /nfs/dbraw/zinc/48/67/11/570486711.db2.gz SHFPXMKGMRPLRI-ZDUSSCGKSA-N -1 3 380.851 2.920 50 0 GFAAHM Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)[N-]C1=NCCS1 ZINC000002778491 570515816 /nfs/dbraw/zinc/51/58/16/570515816.db2.gz YCIDEPSPHIRWNR-UHFFFAOYSA-N -1 3 385.209 2.582 50 0 GFAAHM Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(C)cc3[O-])CC2)cc1 ZINC000058310006 570726510 /nfs/dbraw/zinc/72/65/10/570726510.db2.gz ZVAVJDCHUYLPBL-UHFFFAOYSA-N -1 3 388.489 2.546 50 0 GFAAHM CC(C)(C)c1csc(NC(=O)CN2CCC[C@@H](c3cc(=O)[n-]cn3)C2)n1 ZINC000252484953 570728118 /nfs/dbraw/zinc/72/81/18/570728118.db2.gz GKZPBEKOZQBLKY-GFCCVEGCSA-N -1 3 375.498 2.754 50 0 GFAAHM CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000032716855 570755128 /nfs/dbraw/zinc/75/51/28/570755128.db2.gz KKEGYDPZGGRSPT-CQSZACIVSA-N -1 3 375.812 2.547 50 0 GFAAHM CCOC(=O)[C@@H](CC)Sc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[n-]1 ZINC000005967732 570810176 /nfs/dbraw/zinc/81/01/76/570810176.db2.gz MBLGDONMPXMMNO-CYBMUJFWSA-N -1 3 376.413 2.682 50 0 GFAAHM CCN(Cc1ccncc1)C(=O)C(=C([O-])c1ccc(F)cc1)n1ccccc1=O ZINC000004676715 570822770 /nfs/dbraw/zinc/82/27/70/570822770.db2.gz UXPJEEPHQZOWJC-HXUWFJFHSA-N -1 3 393.418 2.855 50 0 GFAAHM Cc1ccc(NC(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C2CC2)c2cccnc12 ZINC000032908747 570909785 /nfs/dbraw/zinc/90/97/85/570909785.db2.gz TYZGFQACXMRWQE-UHFFFAOYSA-N -1 3 387.399 2.529 50 0 GFAAHM O=S(=O)([N-]CCOc1ccc2c(c1)OCO2)c1ccccc1C(F)(F)F ZINC000023143680 570918737 /nfs/dbraw/zinc/91/87/37/570918737.db2.gz XOWFYZBNHUTXRB-UHFFFAOYSA-N -1 3 389.351 2.791 50 0 GFAAHM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000237812365 570944713 /nfs/dbraw/zinc/94/47/13/570944713.db2.gz UDLMYCMVZBLSIW-UHFFFAOYSA-N -1 3 394.537 2.970 50 0 GFAAHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccc(Br)cc1 ZINC000004758038 570967886 /nfs/dbraw/zinc/96/78/86/570967886.db2.gz CYACURVYEWEMKN-UHFFFAOYSA-N -1 3 389.296 2.818 50 0 GFAAHM CSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C(F)(F)F)cc1)CC(=O)N2 ZINC000046073778 571019117 /nfs/dbraw/zinc/01/91/17/571019117.db2.gz IQDPQYQWDHWXDW-SECBINFHSA-N -1 3 398.366 2.575 50 0 GFAAHM O=C(c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O)N1CCSCC1 ZINC000091663994 571024122 /nfs/dbraw/zinc/02/41/22/571024122.db2.gz CJKLDIVQLJPXPL-UHFFFAOYSA-N -1 3 384.288 2.857 50 0 GFAAHM O=S(=O)([N-]C1CCN(c2ncnc3ccsc32)CC1)c1cccs1 ZINC000012782035 571035419 /nfs/dbraw/zinc/03/54/19/571035419.db2.gz FDZFIANXYUJPGJ-UHFFFAOYSA-N -1 3 380.520 2.700 50 0 GFAAHM O=C(N[C@@H]1CCSC1)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000091998000 571039834 /nfs/dbraw/zinc/03/98/34/571039834.db2.gz JTLDHRMPUYTXCL-SECBINFHSA-N -1 3 384.288 2.903 50 0 GFAAHM Cc1ccc(CCNC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000009528398 221084002 /nfs/dbraw/zinc/08/40/02/221084002.db2.gz FQBSOEWTAQKRTN-KRWDZBQOSA-N -1 3 380.535 2.718 50 0 GFAAHM O=C(c1ccccc1Cl)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011450494 221116462 /nfs/dbraw/zinc/11/64/62/221116462.db2.gz QESWOAFLXKWJEJ-UHFFFAOYSA-N -1 3 384.910 2.985 50 0 GFAAHM O=C([N-]c1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2)c1csnn1 ZINC000011914755 221136535 /nfs/dbraw/zinc/13/65/35/221136535.db2.gz PUWKTEJOHQLSEU-SNVBAGLBSA-N -1 3 392.506 2.640 50 0 GFAAHM COc1cc(C(=O)O[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)ccc1C ZINC000012631029 221216767 /nfs/dbraw/zinc/21/67/67/221216767.db2.gz MJZNUOQKVHGFGQ-ZDUSSCGKSA-N -1 3 391.445 2.803 50 0 GFAAHM Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3[O-])C2)s1 ZINC000012756095 221227011 /nfs/dbraw/zinc/22/70/11/221227011.db2.gz FTEUFFMSRCURCN-ZDUSSCGKSA-N -1 3 380.491 2.802 50 0 GFAAHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2)n1 ZINC000013495127 221270805 /nfs/dbraw/zinc/27/08/05/221270805.db2.gz XVDBGMCSNSJGBD-LLVKDONJSA-N -1 3 377.397 2.924 50 0 GFAAHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cccc(C)n1 ZINC000015940683 221352525 /nfs/dbraw/zinc/35/25/25/221352525.db2.gz QTOXBLFFQGQUIA-CQSZACIVSA-N -1 3 397.497 2.568 50 0 GFAAHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cccc(C)n1 ZINC000015940685 221352720 /nfs/dbraw/zinc/35/27/20/221352720.db2.gz QTOXBLFFQGQUIA-AWEZNQCLSA-N -1 3 397.497 2.568 50 0 GFAAHM Cc1nc[nH]c1CNC1CCN(c2cc(C)nc(-c3ccccc3[O-])n2)CC1 ZINC000095512197 136180757 /nfs/dbraw/zinc/18/07/57/136180757.db2.gz OETRQWWZDWSJOR-UHFFFAOYSA-N -1 3 378.480 2.948 50 0 GFAAHM O=C(Nc1ncccc1[O-])[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000043732255 221950084 /nfs/dbraw/zinc/95/00/84/221950084.db2.gz TUPGAUYJEKFXRT-SNVBAGLBSA-N -1 3 376.210 2.541 50 0 GFAAHM NC(=O)c1ccn(-c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)n1 ZINC000058244441 222047911 /nfs/dbraw/zinc/04/79/11/222047911.db2.gz YWZUYGXVTZWIDT-UHFFFAOYSA-N -1 3 392.440 2.925 50 0 GFAAHM O=C(Cc1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2)s1)N1CCCCC1 ZINC000064919788 222087930 /nfs/dbraw/zinc/08/79/30/222087930.db2.gz NVMACBMOAXRBHH-UHFFFAOYSA-N -1 3 396.509 2.921 50 0 GFAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@](O)(c1cccs1)C1CC1 ZINC000077099527 222273240 /nfs/dbraw/zinc/27/32/40/222273240.db2.gz MBZJBCGIPRTLAH-INIZCTEOSA-N -1 3 387.910 2.986 50 0 GFAAHM O=S(=O)([N-]C[C@@]1(O)CCOc2ccccc21)c1cc(Cl)ccc1Cl ZINC000077099995 222273306 /nfs/dbraw/zinc/27/33/06/222273306.db2.gz BMNQEHGTWAEGGT-INIZCTEOSA-N -1 3 388.272 2.942 50 0 GFAAHM CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ncccc1[O-])C2=O ZINC000021901637 570298751 /nfs/dbraw/zinc/29/87/51/570298751.db2.gz JYZHKACJTVMYEK-UHFFFAOYSA-N -1 3 388.468 2.643 50 0 GFAAHM CCOC(=O)[C@]([N-]c1cccc(F)c1)(NC(=O)c1cccnc1)C(F)(F)F ZINC000003103505 570328691 /nfs/dbraw/zinc/32/86/91/570328691.db2.gz PGTVWQREPPERHC-INIZCTEOSA-N -1 3 385.317 2.884 50 0 GFAAHM COc1ccc(OC)c(-n2c([O-])c3onc(-c4ccccc4Cl)c3c2O)c1 ZINC000100453719 570363547 /nfs/dbraw/zinc/36/35/47/570363547.db2.gz AVMJNCJSYBFURN-WBVHZDCISA-N -1 3 386.791 2.650 50 0 GFAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(-c2ccnn2C)nc1 ZINC000575619897 570368460 /nfs/dbraw/zinc/36/84/60/570368460.db2.gz PGGFVNZTIMIKOQ-UHFFFAOYSA-N -1 3 392.868 2.623 50 0 GFAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000024893031 570397859 /nfs/dbraw/zinc/39/78/59/570397859.db2.gz VFAVGYIWVIOGLY-UHFFFAOYSA-N -1 3 396.852 2.664 50 0 GFAAHM COC(=O)c1cc([N-]C(=O)c2ccc(Br)o2)cc(C(=O)OC)c1 ZINC000006720225 570548440 /nfs/dbraw/zinc/54/84/40/570548440.db2.gz JYBOWDLAZIHZTO-UHFFFAOYSA-N -1 3 382.166 2.868 50 0 GFAAHM CC[C@@H]([N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)[nH]n2)o1)[C@H]1C[C@@H](O)C1 ZINC000244874933 570697723 /nfs/dbraw/zinc/69/77/23/570697723.db2.gz XJVNEPNWUNTXQU-KXUCPTDWSA-N -1 3 393.387 2.516 50 0 GFAAHM Cc1c([O-])ccc2c(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)oc12 ZINC000036585069 570743955 /nfs/dbraw/zinc/74/39/55/570743955.db2.gz WAODNQLSDGFDDI-ZBFHGGJFSA-N -1 3 378.428 2.588 50 0 GFAAHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)N1CCCCCC1 ZINC000007095201 570788163 /nfs/dbraw/zinc/78/81/63/570788163.db2.gz DZFWBMKLNXSOAT-CQSZACIVSA-N -1 3 397.504 2.992 50 0 GFAAHM C[C@H](NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccco1 ZINC000007154257 570808067 /nfs/dbraw/zinc/80/80/67/570808067.db2.gz RFNCPDJUHVVILU-LBPRGKRZSA-N -1 3 395.444 2.671 50 0 GFAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000031618484 570818196 /nfs/dbraw/zinc/81/81/96/570818196.db2.gz CAWZFJTUJWMQHI-UHFFFAOYSA-N -1 3 375.450 2.719 50 0 GFAAHM O=c1c([C@@H]2NCCc3c4cc(Cl)ccc4[nH]c32)c([O-])nc2n1CCCS2 ZINC000102709380 570857808 /nfs/dbraw/zinc/85/78/08/570857808.db2.gz LAMXUDKHVPXHAY-HNNXBMFYSA-N -1 3 388.880 2.815 50 0 GFAAHM COc1ccc(C2=NOC3=C([O-])N(c4ccc(C)cc4C)C(=O)[C@H]23)cc1OC ZINC000102896117 570869814 /nfs/dbraw/zinc/86/98/14/570869814.db2.gz MNLFDKMPGGSOKV-IEBWSBKVSA-N -1 3 380.400 2.613 50 0 GFAAHM COc1ccc(C2=NOC3=C([O-])N(c4ccc(C)cc4C)C(=O)[C@@H]23)cc1OC ZINC000102896115 570869855 /nfs/dbraw/zinc/86/98/55/570869855.db2.gz MNLFDKMPGGSOKV-PKOBYXMFSA-N -1 3 380.400 2.613 50 0 GFAAHM Cc1cc(=NC(=O)C2=CC(c3ccccc3)N=N2)n([C@@H]2CCS(=O)(=O)C2)[n-]1 ZINC000334159292 570876787 /nfs/dbraw/zinc/87/67/87/570876787.db2.gz VGEYAFDIBLNVPJ-VCXPUZJPSA-N -1 3 385.449 2.619 50 0 GFAAHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccccc3OC)C2)c(F)c1 ZINC000252492140 570974522 /nfs/dbraw/zinc/97/45/22/570974522.db2.gz 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Cc1noc(C)c1S(=O)(=O)[N-]C[C@](O)(c1ccsc1)c1cccs1 ZINC000244986152 212133183 /nfs/dbraw/zinc/13/31/83/212133183.db2.gz JIBAJXPLZNKTOG-HNNXBMFYSA-N -1 3 384.504 2.629 50 0 GFAAHM COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCOCC2)cc1 ZINC000095475229 533209609 /nfs/dbraw/zinc/20/96/09/533209609.db2.gz BYXHYKGRMMATDC-MRXNPFEDSA-N -1 3 375.450 2.961 50 0 GFAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CCO3)cc1 ZINC000008961576 221065470 /nfs/dbraw/zinc/06/54/70/221065470.db2.gz GAIREPUITXJJAS-UHFFFAOYSA-N -1 3 390.461 2.741 50 0 GFAAHM COc1ccccc1-c1cc(=O)[n-]c(N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000009614646 221087948 /nfs/dbraw/zinc/08/79/48/221087948.db2.gz KSTPSCGATUUTFY-UHFFFAOYSA-N -1 3 380.423 2.911 50 0 GFAAHM [O-]C(c1ccccc1)=C1[C@H](c2ccc(O)cc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000011691784 221121100 /nfs/dbraw/zinc/12/11/00/221121100.db2.gz NVTSUDBFZGAADK-ZQIUZPCESA-N -1 3 396.390 2.661 50 0 GFAAHM CN(Cc1nc2ccccc2s1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000011711899 221122947 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50 0 GFAAHM Cc1ccc(C([O-])=C2[C@@H](c3ccc(O)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000035092939 221813052 /nfs/dbraw/zinc/81/30/52/221813052.db2.gz VCHULGRMZLQLLR-HDMKZQKVSA-N -1 3 394.349 2.805 50 0 GFAAHM CCc1nnc(-c2csc(S(=O)(=O)[N-]Cc3ccccc3OC)c2)o1 ZINC000065098664 222100259 /nfs/dbraw/zinc/10/02/59/222100259.db2.gz AGYORSVKWJHONS-UHFFFAOYSA-N -1 3 379.463 2.848 50 0 GFAAHM CC(=O)Nc1cccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000058003235 222037878 /nfs/dbraw/zinc/03/78/78/222037878.db2.gz ZMXUUSILLPCWRB-UHFFFAOYSA-N -1 3 391.431 2.670 50 0 GFAAHM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccc(CN(C)C)cc2)c1 ZINC000071747162 222190387 /nfs/dbraw/zinc/19/03/87/222190387.db2.gz LAATYYGAUMCUTO-UHFFFAOYSA-N -1 3 376.478 2.800 50 0 GFAAHM O=C(CCc1ccc(O)cc1)N1CCc2c(=O)[n-]c(-c3ccccc3)nc2C1 ZINC000072171689 222216833 /nfs/dbraw/zinc/21/68/33/222216833.db2.gz QWWAKMCWJYEZRP-UHFFFAOYSA-N -1 3 375.428 2.660 50 0 GFAAHM COc1ccc(-n2nnc(C(=O)[N-]c3ccc(Br)cc3F)n2)cc1 ZINC000077100312 222272736 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375.432 2.967 50 0 GFAAHM CC[C@H](Sc1nc2c(nc[n-]c2=O)n1C)C(=O)Nc1cccc(Cl)c1 ZINC000019625804 551114700 /nfs/dbraw/zinc/11/47/00/551114700.db2.gz OWTCPXDZVGMLHK-NSHDSACASA-N -1 3 377.857 2.819 50 0 biogenic,in-vitro GFAAHM Cc1cc(C)n(C[C@@H](C)C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)n1 ZINC000058358267 551183146 /nfs/dbraw/zinc/18/31/46/551183146.db2.gz XOCNHJJEZAGKCI-VIFPVBQESA-N -1 3 377.297 2.816 50 0 GFAAHM Cc1ncc(-c2ccc(S(=O)(=O)[N-]Cc3ccc4c(c3)OCO4)s2)o1 ZINC000065003821 551185359 /nfs/dbraw/zinc/18/53/59/551185359.db2.gz QANJTQCCHLUTJC-UHFFFAOYSA-N -1 3 378.431 2.919 50 0 GFAAHM COc1cc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000003882108 560191334 /nfs/dbraw/zinc/19/13/34/560191334.db2.gz SAADZRJBOQGELC-YJBOKZPZSA-N -1 3 382.416 2.882 50 0 biogenic,in-vitro GFAAHM CC(C)c1nc(S(=O)(=O)[N-]Cc2nccnc2-c2cccs2)cn1C ZINC000575619262 564701350 /nfs/dbraw/zinc/70/13/50/564701350.db2.gz BUPJKIIHKUKZQB-UHFFFAOYSA-N -1 3 377.495 2.541 50 0 GFAAHM 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O=C(Nc1ncccc1[O-])[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000095938996 211284381 /nfs/dbraw/zinc/28/43/81/211284381.db2.gz GETCXKADAVEEDF-GFCCVEGCSA-N -1 3 376.210 2.541 50 0 GFAAHM COc1cc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C(C)C)cc(OC)c1O ZINC000095480016 211248989 /nfs/dbraw/zinc/24/89/89/211248989.db2.gz IQGSVLCBKDGWOV-OAHLLOKOSA-N -1 3 379.438 2.904 50 0 GFAAHM CCOC(=O)c1[nH]c(C)c(C(=O)Nc2n[n-]c(-c3ccccc3OC)n2)c1C ZINC000095480336 211248197 /nfs/dbraw/zinc/24/81/97/211248197.db2.gz MSBMKHDBOCDQLR-UHFFFAOYSA-N -1 3 383.408 2.854 50 0 GFAAHM CC(=O)N1CCCN([C@@H](C(=O)[O-])c2ccc(OCc3ccccc3)cc2)CC1 ZINC000095371770 211227929 /nfs/dbraw/zinc/22/79/29/211227929.db2.gz ZBPXBUFAWQJWAJ-OAQYLSRUSA-N -1 3 382.460 2.946 50 0 GFAAHM O=C(c1ccc(F)c(Cl)c1)N1CCc2c(=O)[n-]c(-c3ccncc3)nc2C1 ZINC000072149272 211076716 /nfs/dbraw/zinc/07/67/16/211076716.db2.gz YNIBZYZGKRFJOZ-UHFFFAOYSA-N -1 3 384.798 2.823 50 0 GFAAHM CN(C)c1nc2c(c(=O)[n-]1)CCN(C(=O)C(c1ccccc1)c1ccccc1)C2 ZINC000072153625 211078618 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50 0 GFAAHM COC(=O)CCSc1cc(C)ccc1[N-]S(=O)(=O)CCOC(C)C ZINC000252489848 553149643 /nfs/dbraw/zinc/14/96/43/553149643.db2.gz KCHHZZZMQYTMOM-UHFFFAOYSA-N -1 3 375.512 2.817 50 0 GFAAHM Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3noc(C4CC4)n3)s2)cs1 ZINC000535709736 565018897 /nfs/dbraw/zinc/01/88/97/565018897.db2.gz UJRKOFVWEXEIJK-UHFFFAOYSA-N -1 3 382.492 2.919 50 0 GFAAHM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)c1ncccc1Br)c1ccccc1 ZINC000660029715 565240166 /nfs/dbraw/zinc/24/01/66/565240166.db2.gz ZQHICUZFSUBMPG-HUUCEWRRSA-N -1 3 399.310 2.881 50 0 GFAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CCCn2ccc3ccccc32)s1 ZINC000048438554 570251232 /nfs/dbraw/zinc/25/12/32/570251232.db2.gz BBBSMXNVTOVDPR-UHFFFAOYSA-N -1 3 391.518 2.708 50 0 GFAAHM Cc1cc([N-]C(=O)[C@@H](C)OC(=O)CCc2nc(-c3cccs3)no2)on1 ZINC000021913877 570298883 /nfs/dbraw/zinc/29/88/83/570298883.db2.gz WKYKBFKZUNAHTP-SNVBAGLBSA-N -1 3 376.394 2.598 50 0 GFAAHM O=C(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000012981658 570406834 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GFAAHM Cc1c([O-])ccc2c(CN3CCN(CCc4ccncc4)CC3)cc(=O)oc12 ZINC000020744734 212151099 /nfs/dbraw/zinc/15/10/99/212151099.db2.gz WHDYJCRVSNIAIQ-UHFFFAOYSA-N -1 3 379.460 2.562 50 0 GFAAHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3ccc(-n4cccc4)cc3)CC2)n1 ZINC000253537710 212137140 /nfs/dbraw/zinc/13/71/40/212137140.db2.gz NYOLHWHRSAWGAC-UHFFFAOYSA-N -1 3 377.448 2.680 50 0 GFAAHM CCc1ccc(CNC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000009528484 221084396 /nfs/dbraw/zinc/08/43/96/221084396.db2.gz AEGQCWAHEHCIEM-KRWDZBQOSA-N -1 3 380.535 2.930 50 0 GFAAHM Cc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C3CC3)c2)o1 ZINC000009586035 221085969 /nfs/dbraw/zinc/08/59/69/221085969.db2.gz JYWCGRUPQYTTKP-UHFFFAOYSA-N -1 3 382.869 2.954 50 0 GFAAHM O=C(CCc1cccs1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000009853689 221092712 /nfs/dbraw/zinc/09/27/12/221092712.db2.gz ZYSMXNFTFVWWIY-UHFFFAOYSA-N -1 3 384.548 2.712 50 0 GFAAHM CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000011717067 221123295 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3 386.477 2.953 50 0 GFAAHM Cc1cc(C(=O)N2CCCC[C@@H]2c2cccc(F)c2)c2c(=O)[n-]c(=O)n(C)c2n1 ZINC000426662379 231250947 /nfs/dbraw/zinc/25/09/47/231250947.db2.gz VOQDZKXWVFZKQX-MRXNPFEDSA-N -1 3 396.422 2.849 50 0 GFAAHM COc1ccc(CNC(=O)C(=C([O-])c2ccccc2)n2ccccc2=O)cc1 ZINC000000819367 212185080 /nfs/dbraw/zinc/18/50/80/212185080.db2.gz YYQMRTANTHMOMK-FQEVSTJZSA-N -1 3 376.412 2.597 50 0 GFAAHM CCN1CCOc2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2C1=O ZINC000008961625 221065928 /nfs/dbraw/zinc/06/59/28/221065928.db2.gz MBQXCKFQHCDUQF-UHFFFAOYSA-N -1 3 378.425 2.789 50 0 GFAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)N2CCCCC2)[n-]c3=O)cc1 ZINC000008584043 221044583 /nfs/dbraw/zinc/04/45/83/221044583.db2.gz VRNQPCARTXBASB-UHFFFAOYSA-N -1 3 383.477 2.522 50 0 GFAAHM COc1ccc(Cl)cc1NC(=O)[C@@H]1C=C([O-])NC(Nc2ccc(F)cc2)=N1 ZINC000009227055 221074486 /nfs/dbraw/zinc/07/44/86/221074486.db2.gz KLYKYYVHNFHJRQ-AWEZNQCLSA-N -1 3 390.802 2.783 50 0 GFAAHM CCN(CCCNC(=O)c1c([O-])nc2c(C)cccn2c1=O)c1cccc(C)c1 ZINC000009830139 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50 0 GFAAHM CC(C)CN1CCn2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)cc2C1=O ZINC000065254828 222118023 /nfs/dbraw/zinc/11/80/23/222118023.db2.gz RUXDATFLDBMPPP-UHFFFAOYSA-N -1 3 383.420 2.679 50 0 GFAAHM O=C(c1cccc([O-])c1)N1C[C@H]2OC(=O)N(CCc3cccc(Cl)c3)[C@H]2C1 ZINC000067771863 222159583 /nfs/dbraw/zinc/15/95/83/222159583.db2.gz LRZNNZHJITUQNJ-ZWKOTPCHSA-N -1 3 386.835 2.934 50 0 GFAAHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000070640115 222176686 /nfs/dbraw/zinc/17/66/86/222176686.db2.gz KEGDUKOXYKDVSL-CYBMUJFWSA-N -1 3 393.358 2.865 50 0 GFAAHM Cc1nn(C)c(C)c1CN(C)C[C@H](CC(=O)Nc1ccc2cc[nH]c2c1)C(=O)[O-] ZINC000072403829 222253442 /nfs/dbraw/zinc/25/34/42/222253442.db2.gz JMUQWPLTVSWHQZ-INIZCTEOSA-N -1 3 397.479 2.680 50 0 GFAAHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(N4CCOCC4)CCCC3)c2)n1 ZINC000095959626 222365295 /nfs/dbraw/zinc/36/52/95/222365295.db2.gz HKQPAVVGZXUNER-UHFFFAOYSA-N -1 3 396.491 2.583 50 0 GFAAHM Cn1cc(Br)c(=O)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000096003481 222369360 /nfs/dbraw/zinc/36/93/60/222369360.db2.gz FDWUECASSJUFNB-UHFFFAOYSA-N -1 3 395.637 2.741 50 0 GFAAHM CCSc1nnc([N-]C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)s1 ZINC000003417016 551093447 /nfs/dbraw/zinc/09/34/47/551093447.db2.gz SSTSFDGJELMDQK-UHFFFAOYSA-N -1 3 379.435 2.899 50 0 GFAAHM Cc1ccc(S(=O)(=O)CCc2nnc([N-]C(=O)c3ccco3)s2)cc1 ZINC000004893622 551095613 /nfs/dbraw/zinc/09/56/13/551095613.db2.gz GBFGMJXQIWXHQD-UHFFFAOYSA-N -1 3 377.447 2.708 50 0 GFAAHM O=C([N-]c1nnc(SCc2cc(=O)n3ccsc3n2)s1)c1ccco1 ZINC000020984042 551116127 /nfs/dbraw/zinc/11/61/27/551116127.db2.gz SHDBCUAYKHEKLT-UHFFFAOYSA-N -1 3 391.459 2.745 50 0 GFAAHM Cc1cc(-c2ccc(S(=O)(=O)[N-]CCCn3nc(C)cc3C)s2)on1 ZINC000670455062 565724016 /nfs/dbraw/zinc/72/40/16/565724016.db2.gz IBCIVYPLCLIILU-UHFFFAOYSA-N -1 3 380.495 2.893 50 0 GFAAHM CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000002473941 570288114 /nfs/dbraw/zinc/28/81/14/570288114.db2.gz SNZSDTRRGFGHBZ-HNNXBMFYSA-N -1 3 398.843 2.604 50 0 GFAAHM CCCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000002833165 570305670 /nfs/dbraw/zinc/30/56/70/570305670.db2.gz DOROHNBSMKASOK-UHFFFAOYSA-N -1 3 382.507 2.707 50 0 GFAAHM COc1cc(CCC(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)cc(OC)c1 ZINC000014372191 570309503 /nfs/dbraw/zinc/30/95/03/570309503.db2.gz ZQDRXKUVEYLVOS-UHFFFAOYSA-N -1 3 387.461 2.593 50 0 GFAAHM COc1ccc([C@@H]2[C@H](S(=O)(=O)[N-][C@@H](C)c3ccccc3)CON2C)cc1 ZINC000034738790 570329686 /nfs/dbraw/zinc/32/96/86/570329686.db2.gz PSDCAYKENIPAAN-GDIGMMSISA-N -1 3 376.478 2.663 50 0 GFAAHM COc1ccc([C@@H]2[C@@H](S(=O)(=O)[N-][C@@H](C)c3ccccc3)CON2C)cc1 ZINC000034738792 570329714 /nfs/dbraw/zinc/32/97/14/570329714.db2.gz PSDCAYKENIPAAN-ZOCIIQOWSA-N -1 3 376.478 2.663 50 0 GFAAHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccc(-c2nnc3n2CCCC3)cc1 ZINC000150859304 570380643 /nfs/dbraw/zinc/38/06/43/570380643.db2.gz IKFZPKSXNZCXMA-INIZCTEOSA-N -1 3 376.482 2.592 50 0 GFAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc1NC(C)=O ZINC000024577686 570386373 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GFAAHM Cc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(CCc4ccccn4)CC3)c2c1 ZINC000020744437 570278751 /nfs/dbraw/zinc/27/87/51/570278751.db2.gz XKEMHLQAUVMUNT-OAQYLSRUSA-N -1 3 378.476 2.857 50 0 GFAAHM O=c1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccc([O-])cc2o1 ZINC000021847790 570297773 /nfs/dbraw/zinc/29/77/73/570297773.db2.gz YPSLMOJKUSBPBE-UHFFFAOYSA-N -1 3 394.427 2.545 50 0 GFAAHM O=S(=O)(Cc1ccccc1F)[N-]C[C@](O)(c1ccccc1)C1CCOCC1 ZINC000575610827 570334682 /nfs/dbraw/zinc/33/46/82/570334682.db2.gz BSBOAEMXQHRPBP-FQEVSTJZSA-N -1 3 393.480 2.560 50 0 GFAAHM Cc1c([N-]S(=O)(=O)c2cc(N)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000003885642 570353468 /nfs/dbraw/zinc/35/34/68/570353468.db2.gz SOJYHCHZCRXCBQ-UHFFFAOYSA-N -1 3 392.868 2.521 50 0 GFAAHM O=C1[N-]C(=O)C(CCc2ccncc2)(Cc2cccc(Cl)c2Cl)C(=O)N1 ZINC000006276460 570357091 /nfs/dbraw/zinc/35/70/91/570357091.db2.gz JOXKNJKGPKJTJC-UHFFFAOYSA-N -1 3 392.242 2.916 50 0 GFAAHM COC(=O)[C@@]([O-])(c1ccc(N2C(=O)c3ccccc3C2=O)c(C)c1)C(F)(F)F ZINC000004343649 570369861 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0 GFAAHM Cc1sc2[n-]c([C@H](C)OC(=O)c3nc4nc(C)cc(C)n4n3)nc(=O)c2c1C ZINC000006038363 570815955 /nfs/dbraw/zinc/81/59/55/570815955.db2.gz WEETUJOVXBPVGG-JTQLQIEISA-N -1 3 398.448 2.574 50 0 GFAAHM O=C(C(=C([O-])c1ccc(Br)cc1)n1ccccc1=O)N1CCCC1 ZINC000004690303 570835276 /nfs/dbraw/zinc/83/52/76/570835276.db2.gz ICGVKOXNNZOZNY-MRXNPFEDSA-N -1 3 389.249 2.657 50 0 GFAAHM COc1ccc(N2C[C@H](c3nnc([N-]C(=O)c4ccccc4F)o3)CC2=O)cc1 ZINC000033169779 570838768 /nfs/dbraw/zinc/83/87/68/570838768.db2.gz JTFXPSCYQKNCIQ-GFCCVEGCSA-N -1 3 396.378 2.990 50 0 GFAAHM COc1cccc(C2=NOC3=C([O-])N(c4ccc(C)c(C)c4)C(=O)[C@@H]23)c1OC ZINC000102545318 570850702 /nfs/dbraw/zinc/85/07/02/570850702.db2.gz NCPIHPKANQWILO-LPHOPBHVSA-N -1 3 380.400 2.613 50 0 GFAAHM Cc1cc(=NC(=O)C2=CC(c3ccccc3)N=N2)n([C@H]2CCS(=O)(=O)C2)[n-]1 ZINC000334159293 570876838 /nfs/dbraw/zinc/87/68/38/570876838.db2.gz VGEYAFDIBLNVPJ-WLGDJLJPSA-N -1 3 385.449 2.619 50 0 GFAAHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1ccccc1F)N1CCCC1 ZINC000047032292 570938419 /nfs/dbraw/zinc/93/84/19/570938419.db2.gz DKGPBYPZNQAPPB-QGZVFWFLSA-N -1 3 378.469 2.950 50 0 GFAAHM CCCS(=O)(=O)[N-]c1ccc2c(c1)nc(-c1ccc(C(=O)NC)cc1)n2C ZINC000033276979 570952021 /nfs/dbraw/zinc/95/20/21/570952021.db2.gz DGCIQSIQDSILNF-UHFFFAOYSA-N -1 3 386.477 2.752 50 0 GFAAHM COc1ccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)C(C)C)c(OC)c1 ZINC000002465037 570952986 /nfs/dbraw/zinc/95/29/86/570952986.db2.gz ZQADCZCDQPQKEC-INIZCTEOSA-N -1 3 398.506 2.707 50 0 GFAAHM [O-]C(c1ccccc1)=C1[C@@H](c2cccc(O)c2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000001317696 570957298 /nfs/dbraw/zinc/95/72/98/570957298.db2.gz PCFFHFGMZBUXOR-VBQJREDUSA-N -1 3 396.390 2.661 50 0 GFAAHM COc1ccc2[n-]cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c(=O)c2c1 ZINC000044903505 570982160 /nfs/dbraw/zinc/98/21/60/570982160.db2.gz QVXPWSBNASCDKD-UHFFFAOYSA-N -1 3 384.388 2.815 50 0 GFAAHM Cc1nccn1CCC1CCN(C(=O)c2cnc(-c3ccccn3)[n-]c2=O)CC1 ZINC000091665609 571025270 /nfs/dbraw/zinc/02/52/70/571025270.db2.gz RUWSCLQKDOGQBX-UHFFFAOYSA-N -1 3 392.463 2.692 50 0 GFAAHM CO[C@@H]1CCCN(C(=O)c2cnc(Cc3c(Cl)cccc3Cl)[n-]c2=O)C1 ZINC000091934458 571036619 /nfs/dbraw/zinc/03/66/19/571036619.db2.gz RAXVXDRFFYAWEX-LLVKDONJSA-N -1 3 396.274 2.919 50 0 GFAAHM Cc1c([C@H](C)NC(=O)Cc2c(C)nc(C)[n-]c2=O)cnn1-c1ccccc1C ZINC000092077836 571043937 /nfs/dbraw/zinc/04/39/37/571043937.db2.gz UDAQPWIMXYKHSS-AWEZNQCLSA-N -1 3 379.464 2.609 50 0 GFAAHM Cc1ccc(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH]cn4)C3)CC2)c([O-])c1 ZINC000092098228 571044990 /nfs/dbraw/zinc/04/49/90/571044990.db2.gz GMFQXAFKAOIERT-UHFFFAOYSA-N -1 3 396.491 2.511 50 0 GFAAHM Cc1ccc(C(=O)N2CCC3(CCC(=O)N(CCc4cnc[nH]4)C3)CC2)c([O-])c1 ZINC000092098228 571044992 /nfs/dbraw/zinc/04/49/92/571044992.db2.gz GMFQXAFKAOIERT-UHFFFAOYSA-N -1 3 396.491 2.511 50 0 GFAAHM