smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1nc2cccc(C(=O)O[C@H](C)OC(C)=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000001493423 561676389 /nfs/dbraw/zinc/67/63/89/561676389.db2.gz MHYCZSLRSHMIJZ-GOSISDBHSA-N -1 3 526.553 4.396 1 0 KIAFHM CCOc1nc2cccc(C(=O)O[C@H](C)OC(C)=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000001493423 561676388 /nfs/dbraw/zinc/67/63/88/561676388.db2.gz MHYCZSLRSHMIJZ-GOSISDBHSA-N -1 3 526.553 4.396 1 0 KIAFHM CCCSC1=NS(=O)(=O)c2cc(C)cnc2N1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000001540845 561677068 /nfs/dbraw/zinc/67/70/68/561677068.db2.gz QCGISAPMDTWMKG-UHFFFAOYSA-N -1 3 505.629 4.445 1 0 KIAFHM CCCSC1=NS(=O)(=O)c2cc(C)cnc2N1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000001540845 561677066 /nfs/dbraw/zinc/67/70/66/561677066.db2.gz QCGISAPMDTWMKG-UHFFFAOYSA-N -1 3 505.629 4.445 1 0 KIAFHM CCCCc1nn(Cc2ccccc2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000001552278 561677498 /nfs/dbraw/zinc/67/74/98/561677498.db2.gz NVLJXTCTDPLEBQ-UHFFFAOYSA-N -1 3 523.597 4.118 1 0 KIAFHM CCCCc1nn(Cc2ccccc2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000001552278 561677496 /nfs/dbraw/zinc/67/74/96/561677496.db2.gz NVLJXTCTDPLEBQ-UHFFFAOYSA-N -1 3 523.597 4.118 1 0 KIAFHM CCCCc1nc(C)c(CC(=O)N2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000001890621 561679937 /nfs/dbraw/zinc/67/99/37/561679937.db2.gz FGOGRDOYWVWRMT-UHFFFAOYSA-N -1 3 525.657 4.345 1 0 KIAFHM CCCCc1nc(C)c(CC(=O)N2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000001890621 561679936 /nfs/dbraw/zinc/67/99/36/561679936.db2.gz FGOGRDOYWVWRMT-UHFFFAOYSA-N -1 3 525.657 4.345 1 0 KIAFHM NC1(C(=O)N[C@@H]2CCc3c4ccccc4ccc3N(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000001890657 561680090 /nfs/dbraw/zinc/68/00/90/561680090.db2.gz TYLMNTOWXHCTBY-HHHXNRCGSA-N -1 3 543.631 4.142 1 0 KIAFHM CCCCc1nc2ccn(CC(=O)N(CC)CC)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000003653035 561682234 /nfs/dbraw/zinc/68/22/34/561682234.db2.gz VDFOBEUYPXRSDL-UHFFFAOYSA-N -1 3 538.656 4.304 1 0 KIAFHM CCCCc1nc2ccn(CC(=O)N(CC)CC)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000003653035 561682232 /nfs/dbraw/zinc/68/22/32/561682232.db2.gz VDFOBEUYPXRSDL-UHFFFAOYSA-N -1 3 538.656 4.304 1 0 KIAFHM O=c1nc2[nH]c3ccc(OCCCS(=O)(=O)C4CCN(CCC5CCCCC5)CC4)cc3cc-2[n-]1 ZINC000003783593 561682372 /nfs/dbraw/zinc/68/23/72/561682372.db2.gz DYVCBBCEPSYFIR-UHFFFAOYSA-N -1 3 500.665 4.023 1 0 KIAFHM O=c1nc2[nH]c3ccc(OCCCCS(=O)(=O)C4CCN(CC5CCCCC5)CC4)cc3cc-2[n-]1 ZINC000003783607 561682424 /nfs/dbraw/zinc/68/24/24/561682424.db2.gz FEKWWSCNLZKREW-UHFFFAOYSA-N -1 3 500.665 4.023 1 0 KIAFHM Cc1cc(COc2ccc(S(=O)(=O)C[C@@H](CC3CCC(=O)CC3)N([O-])C=O)cc2)c2ccccc2n1 ZINC000003818181 561683125 /nfs/dbraw/zinc/68/31/25/561683125.db2.gz YFYQFPIGOKJLFD-JOCHJYFZSA-N -1 3 510.612 4.262 1 0 KIAFHM CCCCc1nc2ccc([C@H]3C[C@H](CO)ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000003843029 561684248 /nfs/dbraw/zinc/68/42/48/561684248.db2.gz GXGPQZSLPQKAHA-QDPGVEIFSA-N -1 3 551.651 4.304 1 0 KIAFHM CCCCc1nc2ccc([C@H]3C[C@H](CO)ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000003843029 561684247 /nfs/dbraw/zinc/68/42/47/561684247.db2.gz GXGPQZSLPQKAHA-QDPGVEIFSA-N -1 3 551.651 4.304 1 0 KIAFHM CCCCc1nc(Cl)c(C(=O)NCC(N)=O)n1Cc1ccc2oc(-c3ccccc3-c3nn[n-]n3)c(Br)c2c1 ZINC000003915710 561684793 /nfs/dbraw/zinc/68/47/93/561684793.db2.gz YMSLLZGYHLDYEW-UHFFFAOYSA-N -1 3 611.888 4.498 1 0 KIAFHM CCCCc1nc(Cl)c(C(=O)NCC(N)=O)n1Cc1ccc2oc(-c3ccccc3-c3nnn[n-]3)c(Br)c2c1 ZINC000003915710 561684791 /nfs/dbraw/zinc/68/47/91/561684791.db2.gz YMSLLZGYHLDYEW-UHFFFAOYSA-N -1 3 611.888 4.498 1 0 KIAFHM Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[n-]n3)c1)N=C2c1ccccc1F ZINC000003929340 561687122 /nfs/dbraw/zinc/68/71/22/561687122.db2.gz ROLRUNMSDPGQLT-WQMAOOLXSA-N -1 3 635.704 4.295 1 0 KIAFHM Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)[C@H](NC(=O)Nc1cccc(-c3nnn[n-]3)c1)N=C2c1ccccc1F ZINC000003929340 561687121 /nfs/dbraw/zinc/68/71/21/561687121.db2.gz ROLRUNMSDPGQLT-WQMAOOLXSA-N -1 3 635.704 4.295 1 0 KIAFHM CCCc1nc(CC)c(C(=O)OCOC(=O)OC)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000003944533 561689800 /nfs/dbraw/zinc/68/98/00/561689800.db2.gz NRWKVVKXJGOVLA-UHFFFAOYSA-N -1 3 504.547 4.191 1 0 KIAFHM CCCc1nc(CC)c(C(=O)OCOC(=O)OC)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000003944533 561689798 /nfs/dbraw/zinc/68/97/98/561689798.db2.gz NRWKVVKXJGOVLA-UHFFFAOYSA-N -1 3 504.547 4.191 1 0 KIAFHM Cc1ccccc1-c1cnc(N(C)C2CCN(C)CC2)nc1N[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(=O)[O-] ZINC000003979326 561692236 /nfs/dbraw/zinc/69/22/36/561692236.db2.gz OMRGTMKJXBQJJQ-SANMLTNESA-N -1 3 546.672 4.151 1 0 KIAFHM Cc1cc(COc2ccc(S(=O)(=O)C[C@H](CC3CCC(=O)CC3)N([O-])C=O)cc2)c2ccccc2n1 ZINC000005494219 561696058 /nfs/dbraw/zinc/69/60/58/561696058.db2.gz YFYQFPIGOKJLFD-QFIPXVFZSA-N -1 3 510.612 4.262 1 0 KIAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1cn(C)c2ccccc12 ZINC000005582241 561697195 /nfs/dbraw/zinc/69/71/95/561697195.db2.gz KQODQNJLJQHFQV-MKWZWQCGSA-N -1 3 526.722 4.089 1 0 KIAFHM CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCC[N-]C(=O)C(F)(F)F ZINC000005834453 561698878 /nfs/dbraw/zinc/69/88/78/561698878.db2.gz HOCFWFDAYHFZPF-UHFFFAOYSA-N -1 3 594.594 4.378 1 0 KIAFHM CC(C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)=CC(=O)O[C@@H]1C[C@H](n2cc(F)c(=O)[n-]c2=O)O[C@@H]1CO ZINC000006002386 561700835 /nfs/dbraw/zinc/70/08/35/561700835.db2.gz BSJWALRNHXFAOI-FXCUBVERSA-N -1 3 528.621 4.399 1 0 KIAFHM CC(C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)=CC(=O)O[C@@H]1C[C@@H](n2cc(F)c(=O)[n-]c2=O)O[C@@H]1CO ZINC000006002400 561700850 /nfs/dbraw/zinc/70/08/50/561700850.db2.gz BSJWALRNHXFAOI-NPOGHECXSA-N -1 3 528.621 4.399 1 0 KIAFHM CCOc1cc(NC(C)=O)ccc1C(=O)[N-]N1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)N=C1c1ccccc1 ZINC000006040780 561702247 /nfs/dbraw/zinc/70/22/47/561702247.db2.gz XTIRDAYORCDVIK-UCQKPKSFSA-N -1 3 558.591 4.044 1 0 KIAFHM CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H](CN1CCCC1)c1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000006718449 561703131 /nfs/dbraw/zinc/70/31/31/561703131.db2.gz NATBLDPQEITINA-JOCHJYFZSA-N -1 3 505.537 4.347 1 0 KIAFHM CS(=O)(=O)c1cccc(F)c1Cn1cc(-c2ccccc2Cl)c(=O)n(C[C@H](NCCCC(=O)[O-])c2ccccc2)c1=O ZINC000006744505 561703243 /nfs/dbraw/zinc/70/32/43/561703243.db2.gz KUOHOWIMYSEGDM-SANMLTNESA-N -1 3 614.095 4.117 1 0 KIAFHM CCOC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000008594088 561706099 /nfs/dbraw/zinc/70/60/99/561706099.db2.gz JZBSOWJJIHWLKJ-SFHVURJKSA-N -1 3 537.457 4.216 1 0 aggregator KIAFHM CCOC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000008654508 561706516 /nfs/dbraw/zinc/70/65/16/561706516.db2.gz JZBSOWJJIHWLKJ-GOSISDBHSA-N -1 3 537.457 4.216 1 0 aggregator KIAFHM CS(=O)(=O)[N-]c1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3 ZINC000013488007 561715504 /nfs/dbraw/zinc/71/55/04/561715504.db2.gz DJAYOTFCMKFULR-UNMCSNQZSA-N -1 3 503.665 4.334 1 0 KIAFHM CCCCc1nc(I)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013493325 561716640 /nfs/dbraw/zinc/71/66/40/561716640.db2.gz WVJNPHMLHDHCKJ-UHFFFAOYSA-N -1 3 514.371 4.218 1 0 KIAFHM CCCCc1nc(I)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013493325 561716638 /nfs/dbraw/zinc/71/66/38/561716638.db2.gz WVJNPHMLHDHCKJ-UHFFFAOYSA-N -1 3 514.371 4.218 1 0 KIAFHM CCC(CC)(c1ccccc1)[C@H](NC)C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C ZINC000013582994 561720209 /nfs/dbraw/zinc/72/02/09/561720209.db2.gz WQXAABJDHRYSRN-BHQPJMTKSA-N -1 3 501.712 4.377 1 0 KIAFHM O=C(CCCOc1ccc2[nH]c3nc(=O)[n-]c-3cc2c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013725893 561724995 /nfs/dbraw/zinc/72/49/95/561724995.db2.gz JCJXERSWGFDEJV-UHFFFAOYSA-N -1 3 521.621 4.497 1 0 KIAFHM O=S(=O)(NCCc1ccc(C(=CCCCc2nn[n-]n2)c2cccnc2)cc1)c1ccc(Cl)cc1 ZINC000013733264 561725370 /nfs/dbraw/zinc/72/53/70/561725370.db2.gz LQZKCALSANZAMX-ZXKDJJQISA-N -1 3 509.035 4.224 1 0 KIAFHM O=S(=O)(NCCc1ccc(C(=CCCCc2nnn[n-]2)c2cccnc2)cc1)c1ccc(Cl)cc1 ZINC000013733264 561725368 /nfs/dbraw/zinc/72/53/68/561725368.db2.gz LQZKCALSANZAMX-ZXKDJJQISA-N -1 3 509.035 4.224 1 0 KIAFHM CCCCc1nc(-c2c(C(=O)OC)ccc[n+]2[O-])cn1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013742412 561726313 /nfs/dbraw/zinc/72/63/13/561726313.db2.gz LXGXUVHONILGKL-UHFFFAOYSA-N -1 3 509.570 4.208 1 0 KIAFHM CCCCc1nc(-c2c(C(=O)OC)ccc[n+]2[O-])cn1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013742412 561726311 /nfs/dbraw/zinc/72/63/11/561726311.db2.gz LXGXUVHONILGKL-UHFFFAOYSA-N -1 3 509.570 4.208 1 0 KIAFHM CCCCc1nc(-c2ccc(C(=O)OC)c[n+]2[O-])cn1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013742414 561726347 /nfs/dbraw/zinc/72/63/47/561726347.db2.gz HPUNWKBGXVWMHD-UHFFFAOYSA-N -1 3 509.570 4.208 1 0 KIAFHM CCCCc1nc(-c2ccc(C(=O)OC)c[n+]2[O-])cn1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013742414 561726345 /nfs/dbraw/zinc/72/63/45/561726345.db2.gz HPUNWKBGXVWMHD-UHFFFAOYSA-N -1 3 509.570 4.208 1 0 KIAFHM COc1ccc([C@@H]2[C@@H](C(=O)[O-])[C@H](c3ccc4c(c3)OCO4)CN2CC(=O)N(CC(C)C)CC(C)C)cc1 ZINC000013746950 561726855 /nfs/dbraw/zinc/72/68/55/561726855.db2.gz VTCRAOPUDXFWQI-MXSCXNJPSA-N -1 3 510.631 4.406 1 0 KIAFHM COc1c(Br)ccc([O-])c1C(=O)NCCCCN1CCN(c2nsc3ccccc32)CC1 ZINC000013747195 561727029 /nfs/dbraw/zinc/72/70/29/561727029.db2.gz BKSCLCCVAGENMQ-UHFFFAOYSA-N -1 3 519.465 4.105 1 0 KIAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CC[C@@H]1CCCO1 ZINC000013780906 561729369 /nfs/dbraw/zinc/72/93/69/561729369.db2.gz ABQDXGJXZPQJDX-NBCVKUGOSA-N -1 3 502.652 4.272 1 0 KIAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CC[C@H]1CCCO1 ZINC000013780907 561729326 /nfs/dbraw/zinc/72/93/26/561729326.db2.gz ABQDXGJXZPQJDX-IQXSCUCBSA-N -1 3 502.652 4.272 1 0 KIAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCc1cccn1C ZINC000013780909 561729261 /nfs/dbraw/zinc/72/92/61/561729261.db2.gz PTWHEHNWQHTLPY-FMGHJNRGSA-N -1 3 511.663 4.284 1 0 KIAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCc1ccccn1 ZINC000013780910 561729364 /nfs/dbraw/zinc/72/93/64/561729364.db2.gz FIVLYOIAUYHSKL-FMGHJNRGSA-N -1 3 509.647 4.341 1 0 KIAFHM Cn1cc(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c2cc(OCc3ccc4ccccc4n3)ccc21 ZINC000013804822 561731408 /nfs/dbraw/zinc/73/14/08/561731408.db2.gz KQIWQCDKADTHEY-UHFFFAOYSA-N -1 3 503.566 4.345 1 0 KIAFHM Cn1cc(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c2cc(OCc3ccc4ccccc4n3)ccc21 ZINC000013804822 561731407 /nfs/dbraw/zinc/73/14/07/561731407.db2.gz KQIWQCDKADTHEY-UHFFFAOYSA-N -1 3 503.566 4.345 1 0 KIAFHM CCCc1c(COc2ccc(Cc3nnn(CCCCCCc4nn[n-]n4)n3)cc2)ccc(C(C)=O)c1O ZINC000013824195 561732723 /nfs/dbraw/zinc/73/27/23/561732723.db2.gz DXDXBXSDNXXWBT-UHFFFAOYSA-N -1 3 518.622 4.020 1 0 KIAFHM CCCc1c(COc2ccc(Cc3nnn(CCCCCCc4nnn[n-]4)n3)cc2)ccc(C(C)=O)c1O ZINC000013824195 561732721 /nfs/dbraw/zinc/73/27/21/561732721.db2.gz DXDXBXSDNXXWBT-UHFFFAOYSA-N -1 3 518.622 4.020 1 0 KIAFHM CCCCc1nn(CCCCCC(=O)OCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013832240 561733507 /nfs/dbraw/zinc/73/35/07/561733507.db2.gz PJQHMCYBMZPKDR-UHFFFAOYSA-N -1 3 517.634 4.406 1 0 KIAFHM CCCCc1nn(CCCCCC(=O)OCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013832240 561733504 /nfs/dbraw/zinc/73/35/04/561733504.db2.gz PJQHMCYBMZPKDR-UHFFFAOYSA-N -1 3 517.634 4.406 1 0 KIAFHM CCCCc1nn(-c2ccc(C(=O)OC)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013832645 561733635 /nfs/dbraw/zinc/73/36/35/561733635.db2.gz KCMDGVOHTNAUCZ-UHFFFAOYSA-N -1 3 509.570 4.059 1 0 KIAFHM CCCCc1nn(-c2ccc(C(=O)OC)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013832645 561733634 /nfs/dbraw/zinc/73/36/34/561733634.db2.gz KCMDGVOHTNAUCZ-UHFFFAOYSA-N -1 3 509.570 4.059 1 0 KIAFHM CCCCc1nn(-c2ccccc2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013832649 561733630 /nfs/dbraw/zinc/73/36/30/561733630.db2.gz WRSDIEZAVLTZHY-UHFFFAOYSA-N -1 3 509.570 4.059 1 0 KIAFHM CCCCc1nn(-c2ccccc2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013832649 561733628 /nfs/dbraw/zinc/73/36/28/561733628.db2.gz WRSDIEZAVLTZHY-UHFFFAOYSA-N -1 3 509.570 4.059 1 0 KIAFHM CCCCc1nn(Cc2cccc(C(=O)OC)c2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013832700 561733576 /nfs/dbraw/zinc/73/35/76/561733576.db2.gz APGBIAWZEONLFL-UHFFFAOYSA-N -1 3 523.597 4.118 1 0 KIAFHM CCCCc1nn(Cc2cccc(C(=O)OC)c2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013832700 561733574 /nfs/dbraw/zinc/73/35/74/561733574.db2.gz APGBIAWZEONLFL-UHFFFAOYSA-N -1 3 523.597 4.118 1 0 KIAFHM CCCCc1nn(Cc2ccc(C(=O)OC)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013832701 561733553 /nfs/dbraw/zinc/73/35/53/561733553.db2.gz CTCYKZLAPSMDCH-UHFFFAOYSA-N -1 3 523.597 4.118 1 0 KIAFHM CCCCc1nn(Cc2ccc(C(=O)OC)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013832701 561733550 /nfs/dbraw/zinc/73/35/50/561733550.db2.gz CTCYKZLAPSMDCH-UHFFFAOYSA-N -1 3 523.597 4.118 1 0 KIAFHM CCCCc1nn([C@@H](C(=O)OC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013832702 561733670 /nfs/dbraw/zinc/73/36/70/561733670.db2.gz WPQQQVTXYDQTAE-AREMUKBSSA-N -1 3 523.597 4.045 1 0 KIAFHM CCCCc1nn([C@@H](C(=O)OC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013832702 561733669 /nfs/dbraw/zinc/73/36/69/561733669.db2.gz WPQQQVTXYDQTAE-AREMUKBSSA-N -1 3 523.597 4.045 1 0 KIAFHM CCCCc1nn([C@H](C(=O)OC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013832703 561733733 /nfs/dbraw/zinc/73/37/33/561733733.db2.gz WPQQQVTXYDQTAE-SANMLTNESA-N -1 3 523.597 4.045 1 0 KIAFHM CCCCc1nn([C@H](C(=O)OC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013832703 561733732 /nfs/dbraw/zinc/73/37/32/561733732.db2.gz WPQQQVTXYDQTAE-SANMLTNESA-N -1 3 523.597 4.045 1 0 KIAFHM CCCC(CCC)CN1CCC(S(=O)(=O)CCCOc2ccc3[nH]c4nc(=O)[n-]c-4cc3c2)CC1 ZINC000013833426 561733837 /nfs/dbraw/zinc/73/38/37/561733837.db2.gz WRYCFNUGJFOQMS-UHFFFAOYSA-N -1 3 502.681 4.269 1 0 KIAFHM CCOc1nc2cccc(C(=O)O[C@@H](C)OC(C)=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000014255257 561738582 /nfs/dbraw/zinc/73/85/82/561738582.db2.gz MHYCZSLRSHMIJZ-SFHVURJKSA-N -1 3 526.553 4.396 1 0 KIAFHM CCOc1nc2cccc(C(=O)O[C@@H](C)OC(C)=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000014255257 561738581 /nfs/dbraw/zinc/73/85/81/561738581.db2.gz MHYCZSLRSHMIJZ-SFHVURJKSA-N -1 3 526.553 4.396 1 0 KIAFHM COC(=O)c1ccc([O-])c([C@@H]2c3c(c(C(=O)CCc4ccccc4)c(O)cc3OC)O[C@H]2C(C)(C)O)c1 ZINC000014657814 561739804 /nfs/dbraw/zinc/73/98/04/561739804.db2.gz KGNWKZGVYSTAOX-YIXXDRMTSA-N -1 3 506.551 4.372 1 0 KIAFHM Cc1cccc(Cl)c1NC(=O)c1cnc([N-]c2cc(NCCCN3CCOCC3)nc(C)n2)s1 ZINC000014952217 561746224 /nfs/dbraw/zinc/74/62/24/561746224.db2.gz CRHCQKSSAJEGRA-UHFFFAOYSA-N -1 3 502.044 4.333 1 0 KIAFHM C[C@H](NC(=O)O[C@H](Cn1ccc(-c2ccc(C(F)(F)F)cc2)n1)C(C)(C)C)C(=O)C[N-]S(=O)(=O)c1ccccn1 ZINC000014972262 561751461 /nfs/dbraw/zinc/75/14/61/561751461.db2.gz KCXVQPRWXYAYNA-HTAPYJJXSA-N -1 3 581.617 4.041 1 0 KIAFHM Cc1ccc(C[C@@H](CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C ZINC000014973219 561751864 /nfs/dbraw/zinc/75/18/64/561751864.db2.gz JWXHFGHEMXYZOR-CTNGQTDRSA-N -1 3 520.667 4.482 1 0 KIAFHM Cc1ccc(C[C@@H](CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C ZINC000014973223 561751886 /nfs/dbraw/zinc/75/18/86/561751886.db2.gz JWXHFGHEMXYZOR-FPOVZHCZSA-N -1 3 520.667 4.482 1 0 KIAFHM Cc1ccc(C[C@H](CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C ZINC000014973227 561751888 /nfs/dbraw/zinc/75/18/88/561751888.db2.gz JWXHFGHEMXYZOR-TZIWHRDSSA-N -1 3 520.667 4.482 1 0 KIAFHM Cc1ccc(C[C@H](CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C ZINC000014973231 561751893 /nfs/dbraw/zinc/75/18/93/561751893.db2.gz JWXHFGHEMXYZOR-PZJWPPBQSA-N -1 3 520.667 4.482 1 0 KIAFHM Cc1ccc(C[C@@H](CNC(=O)C2(c3ccc([N-]S(C)(=O)=O)c(F)c3)CC2)COC(=O)C(C)(C)C)cc1C ZINC000014973296 561751994 /nfs/dbraw/zinc/75/19/94/561751994.db2.gz BZSPLBLRORRSLJ-NRFANRHFSA-N -1 3 532.678 4.410 1 0 KIAFHM Cc1ccc(C[C@H](CNC(=O)C2(c3ccc([N-]S(C)(=O)=O)c(F)c3)CC2)COC(=O)C(C)(C)C)cc1C ZINC000014973299 561751978 /nfs/dbraw/zinc/75/19/78/561751978.db2.gz BZSPLBLRORRSLJ-OAQYLSRUSA-N -1 3 532.678 4.410 1 0 KIAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1cn(C)c2ccccc12 ZINC000015268916 561752983 /nfs/dbraw/zinc/75/29/83/561752983.db2.gz KQODQNJLJQHFQV-OGKHPQBTSA-N -1 3 526.722 4.089 1 0 KIAFHM CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1)S(=O)(=O)c1ccc2ncsc2c1 ZINC000016052450 561753860 /nfs/dbraw/zinc/75/38/60/561753860.db2.gz MQZZULHKSPXDHA-IZZNHLLZSA-N -1 3 553.706 4.051 1 0 in-vitro KIAFHM FC(F)(F)c1cc(COC[C@H](c2ccccc2)N2CCN(Cc3nn[n-]n3)CC2)cc(C(F)(F)F)c1 ZINC000022926990 561759764 /nfs/dbraw/zinc/75/97/64/561759764.db2.gz QUARZWNHDPZJSZ-HXUWFJFHSA-N -1 3 514.474 4.313 1 0 KIAFHM FC(F)(F)c1cc(COC[C@@H](c2ccccc2)N2CCN(Cc3nn[n-]n3)CC2)cc(C(F)(F)F)c1 ZINC000022926995 561759708 /nfs/dbraw/zinc/75/97/08/561759708.db2.gz QUARZWNHDPZJSZ-FQEVSTJZSA-N -1 3 514.474 4.313 1 0 KIAFHM O=C([O-])C1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000022927882 561760053 /nfs/dbraw/zinc/76/00/53/561760053.db2.gz KKYGPFJNUCFSFY-AREMUKBSSA-N -1 3 508.490 4.135 1 0 KIAFHM CCCCc1nc(C(=O)OCC)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000025977506 561763694 /nfs/dbraw/zinc/76/36/94/561763694.db2.gz XUQDJOQXEHZVAU-UHFFFAOYSA-N -1 3 502.575 4.475 1 0 KIAFHM CCCCc1nc(C(=O)OCC)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000025977506 561763693 /nfs/dbraw/zinc/76/36/93/561763693.db2.gz XUQDJOQXEHZVAU-UHFFFAOYSA-N -1 3 502.575 4.475 1 0 KIAFHM CCN(CCCCNC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C)c1ccc2c(c1)c(=O)[n-][nH]c2=O ZINC000026156562 561768311 /nfs/dbraw/zinc/76/83/11/561768311.db2.gz JXEARVHZOVKJCG-GWNJSXBUSA-N -1 3 575.754 4.265 1 0 KIAFHM CCCCc1cc(=O)n(Cc2ccccc2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026173310 561770413 /nfs/dbraw/zinc/77/04/13/561770413.db2.gz QZLYOKHNUOFSHZ-UHFFFAOYSA-N -1 3 550.619 4.083 1 0 KIAFHM CCCCc1cc(=O)n(Cc2ccccc2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026173310 561770412 /nfs/dbraw/zinc/77/04/12/561770412.db2.gz QZLYOKHNUOFSHZ-UHFFFAOYSA-N -1 3 550.619 4.083 1 0 KIAFHM CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12 ZINC000026174995 561770708 /nfs/dbraw/zinc/77/07/08/561770708.db2.gz BBASVKVVEFLJCU-JVKBCILWSA-N -1 3 698.828 4.292 1 0 KIAFHM CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[n-]2)c2ccccc12 ZINC000026174995 561770707 /nfs/dbraw/zinc/77/07/07/561770707.db2.gz BBASVKVVEFLJCU-JVKBCILWSA-N -1 3 698.828 4.292 1 0 KIAFHM CCCOc1ccc(S(=O)(=O)N2CCC(P(=O)(OCC)OCC)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[n-]1 ZINC000026176085 561770840 /nfs/dbraw/zinc/77/08/40/561770840.db2.gz PGEROQNFPFLCPC-UHFFFAOYSA-N -1 3 609.686 4.484 1 0 KIAFHM COc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N[C@@H](CC(=O)[O-])c2ccccc2)C(C)(C)C)cc1 ZINC000026183168 561772179 /nfs/dbraw/zinc/77/21/79/561772179.db2.gz YWFRHTGYAAFGQV-DNSIVPQESA-N -1 3 736.910 4.237 1 0 KIAFHM COc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N[C@H](CC(=O)[O-])c2ccccc2)C(C)(C)C)cc1 ZINC000026183173 561772142 /nfs/dbraw/zinc/77/21/42/561772142.db2.gz YWFRHTGYAAFGQV-QGBMLUHRSA-N -1 3 736.910 4.237 1 0 KIAFHM COc1ccc(CN[C@@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N[C@@H](CC(=O)[O-])c2ccccc2)C(C)(C)C)cc1 ZINC000026183178 561772194 /nfs/dbraw/zinc/77/21/94/561772194.db2.gz YWFRHTGYAAFGQV-PNPGQBLCSA-N -1 3 736.910 4.237 1 0 KIAFHM COc1ccc(CN[C@@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N[C@H](CC(=O)[O-])c2ccccc2)C(C)(C)C)cc1 ZINC000026183185 561772198 /nfs/dbraw/zinc/77/21/98/561772198.db2.gz YWFRHTGYAAFGQV-BLJUYXBYSA-N -1 3 736.910 4.237 1 0 KIAFHM CCCCc1nn(C[C@@H](O)c2cc(OC)ccc2OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026269112 561776842 /nfs/dbraw/zinc/77/68/42/561776842.db2.gz QAPCRIYVOZRBKE-AREMUKBSSA-N -1 3 555.639 4.034 1 0 KIAFHM CCCCc1nn(C[C@@H](O)c2cc(OC)ccc2OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026269112 561776839 /nfs/dbraw/zinc/77/68/39/561776839.db2.gz QAPCRIYVOZRBKE-AREMUKBSSA-N -1 3 555.639 4.034 1 0 KIAFHM CCCCc1nn(C[C@H](O)c2cc(OC)ccc2OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026269119 561776797 /nfs/dbraw/zinc/77/67/97/561776797.db2.gz QAPCRIYVOZRBKE-SANMLTNESA-N -1 3 555.639 4.034 1 0 KIAFHM CCCCc1nn(C[C@H](O)c2cc(OC)ccc2OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026269119 561776794 /nfs/dbraw/zinc/77/67/94/561776794.db2.gz QAPCRIYVOZRBKE-SANMLTNESA-N -1 3 555.639 4.034 1 0 KIAFHM CCCCc1nn(CC(=O)c2cc(OC)ccc2OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026272722 561777462 /nfs/dbraw/zinc/77/74/62/561777462.db2.gz YFIVSTVKNZPDDW-UHFFFAOYSA-N -1 3 553.623 4.183 1 0 KIAFHM CCCCc1nn(CC(=O)c2cc(OC)ccc2OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026272722 561777460 /nfs/dbraw/zinc/77/74/60/561777460.db2.gz YFIVSTVKNZPDDW-UHFFFAOYSA-N -1 3 553.623 4.183 1 0 KIAFHM CC(C)C[C@H](NC[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)OCCc1ccc(F)cc1 ZINC000026285868 561779723 /nfs/dbraw/zinc/77/97/23/561779723.db2.gz KRZVSOFKKLSOBI-FMYROPPKSA-N -1 3 640.753 4.493 1 0 KIAFHM CCCc1nc(CN2CCN(c3ccccn3)CC2)c(C=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026290201 561780496 /nfs/dbraw/zinc/78/04/96/561780496.db2.gz HJWOJDFDUUAQRE-UHFFFAOYSA-N -1 3 547.667 4.261 1 0 KIAFHM CCCc1nc(CN2CCN(c3ccccn3)CC2)c(C=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026290201 561780494 /nfs/dbraw/zinc/78/04/94/561780494.db2.gz HJWOJDFDUUAQRE-UHFFFAOYSA-N -1 3 547.667 4.261 1 0 KIAFHM CC(C)C[C@H](NC[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)OCCc1ccccc1 ZINC000026292199 561780763 /nfs/dbraw/zinc/78/07/63/561780763.db2.gz YXWRTNCAWBYFGN-FMYROPPKSA-N -1 3 622.763 4.353 1 0 KIAFHM Cc1ccc(C[C@@H](COC(=O)C(C)(C)C)CN(O)C(=S)NCc2ccc([N-]S(C)(=O)=O)cc2F)cc1C ZINC000026378065 561782682 /nfs/dbraw/zinc/78/26/82/561782682.db2.gz GNVAHIVUDSENRG-HXUWFJFHSA-N -1 3 553.722 4.328 1 0 KIAFHM Cc1ccc(C[C@H](COC(=O)C(C)(C)C)CN(O)C(=S)NCc2ccc([N-]S(C)(=O)=O)cc2F)cc1C ZINC000026378067 561782706 /nfs/dbraw/zinc/78/27/06/561782706.db2.gz GNVAHIVUDSENRG-FQEVSTJZSA-N -1 3 553.722 4.328 1 0 KIAFHM CCCc1nc(-n2ccc(C(=O)OCC)c2)c(C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026384521 561783946 /nfs/dbraw/zinc/78/39/46/561783946.db2.gz LXQARQZXWFGCIG-UHFFFAOYSA-N -1 3 539.596 4.485 1 0 KIAFHM CCCc1nc(-n2ccc(C(=O)OCC)c2)c(C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026384521 561783944 /nfs/dbraw/zinc/78/39/44/561783944.db2.gz LXQARQZXWFGCIG-UHFFFAOYSA-N -1 3 539.596 4.485 1 0 KIAFHM CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(C[C@@H](CCC(=O)[O-])c3ccccc32)CC1 ZINC000026384771 561784106 /nfs/dbraw/zinc/78/41/06/561784106.db2.gz ZVIQIUDGNULUAU-ZEQKJWHPSA-N -1 3 519.686 4.144 1 0 KIAFHM CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(C[C@H](CCC(=O)[O-])c3ccccc32)CC1 ZINC000026384774 561784142 /nfs/dbraw/zinc/78/41/42/561784142.db2.gz ZVIQIUDGNULUAU-JYFHCDHNSA-N -1 3 519.686 4.144 1 0 KIAFHM CCCc1nc(-n2ccc(C(=O)OC)c2C)c(C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026385660 561784306 /nfs/dbraw/zinc/78/43/06/561784306.db2.gz BNPMTXNFQOUMJI-UHFFFAOYSA-N -1 3 539.596 4.403 1 0 KIAFHM CCCc1nc(-n2ccc(C(=O)OC)c2C)c(C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026385660 561784305 /nfs/dbraw/zinc/78/43/05/561784305.db2.gz BNPMTXNFQOUMJI-UHFFFAOYSA-N -1 3 539.596 4.403 1 0 KIAFHM Cc1ccc(C[C@@H](CNC(=S)N(O)Cc2ccc([N-]S(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C ZINC000026388567 561785111 /nfs/dbraw/zinc/78/51/11/561785111.db2.gz AYPZRWOPPIDVMT-NRFANRHFSA-N -1 3 553.722 4.328 1 0 KIAFHM Cc1ccc(C[C@H](CNC(=S)N(O)Cc2ccc([N-]S(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C ZINC000026388571 561785081 /nfs/dbraw/zinc/78/50/81/561785081.db2.gz AYPZRWOPPIDVMT-OAQYLSRUSA-N -1 3 553.722 4.328 1 0 KIAFHM CCOc1nc2cccc(C(=O)OCOC(=O)CC)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026395778 561786892 /nfs/dbraw/zinc/78/68/92/561786892.db2.gz LHOCWVFNTNDYBW-UHFFFAOYSA-N -1 3 526.553 4.398 1 0 KIAFHM CCOc1nc2cccc(C(=O)OCOC(=O)CC)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026395778 561786891 /nfs/dbraw/zinc/78/68/91/561786891.db2.gz LHOCWVFNTNDYBW-UHFFFAOYSA-N -1 3 526.553 4.398 1 0 KIAFHM CCOc1nc2cccc(C(=O)OCOC(C)=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026395782 561786908 /nfs/dbraw/zinc/78/69/08/561786908.db2.gz UEMQOOXUEIMWQP-UHFFFAOYSA-N -1 3 512.526 4.008 1 0 KIAFHM CCOc1nc2cccc(C(=O)OCOC(C)=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026395782 561786905 /nfs/dbraw/zinc/78/69/05/561786905.db2.gz UEMQOOXUEIMWQP-UHFFFAOYSA-N -1 3 512.526 4.008 1 0 KIAFHM O=CN([O-])[C@@H](CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)C1CCC2(CC1)OCCO2 ZINC000026398075 561787533 /nfs/dbraw/zinc/78/75/33/561787533.db2.gz HUVXWBYSMDRXQZ-QFIPXVFZSA-N -1 3 545.532 4.301 1 0 KIAFHM O=CN([O-])[C@H](CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)C1CCC2(CC1)OCCO2 ZINC000026398078 561787530 /nfs/dbraw/zinc/78/75/30/561787530.db2.gz HUVXWBYSMDRXQZ-JOCHJYFZSA-N -1 3 545.532 4.301 1 0 KIAFHM C[C@@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(-c2ccccn2)s1)c1ccccc1 ZINC000026404026 561789142 /nfs/dbraw/zinc/78/91/42/561789142.db2.gz FSNYDNKPAXZSDJ-HOFKKMOUSA-N -1 3 618.781 4.085 1 0 KIAFHM C[C@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(-c2ccccn2)s1)c1ccccc1 ZINC000026404029 561789322 /nfs/dbraw/zinc/78/93/22/561789322.db2.gz FSNYDNKPAXZSDJ-KCWPFWIISA-N -1 3 618.781 4.085 1 0 KIAFHM O=C(NCC[N-]S(=O)(=O)c1ccc(-c2ccccn2)s1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1Cl ZINC000026404743 561789746 /nfs/dbraw/zinc/78/97/46/561789746.db2.gz QHVMBMXNMSVJQX-QHCPKHFHSA-N -1 3 631.563 4.122 1 0 KIAFHM O=C(NCC[N-]S(=O)(=O)c1ccc(-c2ccccn2)s1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1c(Cl)cccc1Cl ZINC000026469718 561790286 /nfs/dbraw/zinc/79/02/86/561790286.db2.gz UOEZEJSFVDKBQU-QFIPXVFZSA-N -1 3 631.563 4.122 1 0 KIAFHM CC(=O)NCc1cccc(-c2ccc(S(=O)(=O)[N-]CCNC(=O)C(=O)[C@H](Cc3ccccc3)NC(=O)c3c(Cl)cccc3Cl)s2)c1 ZINC000026469762 561790270 /nfs/dbraw/zinc/79/02/70/561790270.db2.gz XJCINKDLVZWFIJ-SANMLTNESA-N -1 3 701.654 4.363 1 0 KIAFHM CCCc1nc(C)n2nc(SCC(=O)OCC)nc2c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026470820 561790435 /nfs/dbraw/zinc/79/04/35/561790435.db2.gz BEKNQDBPXBGALH-UHFFFAOYSA-N -1 3 528.642 4.478 1 0 KIAFHM CCCc1nc(C)n2nc(SCC(=O)OCC)nc2c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026470820 561790433 /nfs/dbraw/zinc/79/04/33/561790433.db2.gz BEKNQDBPXBGALH-UHFFFAOYSA-N -1 3 528.642 4.478 1 0 KIAFHM CCOC(=O)C1=C(COCc2cc(=O)[n-]c(C)n2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026478994 561791427 /nfs/dbraw/zinc/79/14/27/561791427.db2.gz FGVIUEYNLYVZRX-WBCOUHNMSA-N -1 3 522.385 4.393 1 0 KIAFHM CCOC(=O)C1=C(COCc2cc(=O)[n-]c(C)n2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026479000 561791397 /nfs/dbraw/zinc/79/13/97/561791397.db2.gz FGVIUEYNLYVZRX-LWGCSBEDSA-N -1 3 522.385 4.393 1 0 KIAFHM CCOC(=O)C1=C(COCc2cc(=O)[n-]c(N(C)C)n2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026479753 561791563 /nfs/dbraw/zinc/79/15/63/561791563.db2.gz FNPVQTKBMYBMPZ-WBCOUHNMSA-N -1 3 551.427 4.151 1 0 KIAFHM CCOC(=O)C1=C(COCc2cc(=O)[n-]c(N(C)C)n2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026479761 561791561 /nfs/dbraw/zinc/79/15/61/561791561.db2.gz FNPVQTKBMYBMPZ-LWGCSBEDSA-N -1 3 551.427 4.151 1 0 KIAFHM CO[N-]C(=O)CCC(=O)N[C@H](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000026576309 561800118 /nfs/dbraw/zinc/80/01/18/561800118.db2.gz XRAQYXXVWRWJBR-BGIQMXKESA-N -1 3 643.785 4.452 1 0 KIAFHM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc([O-])cc(O)c1 ZINC000026648625 561807909 /nfs/dbraw/zinc/80/79/09/561807909.db2.gz BBBIYGRWONFZKI-YGPDHOBYSA-N -1 3 520.626 4.326 1 0 KIAFHM Cc1cc(COc2ccc(S(=O)(=O)C[C@@H](CC3CCC4(CC3)OCCO4)N([O-])C=O)cc2)c2ccccc2n1 ZINC000026732354 561816890 /nfs/dbraw/zinc/81/68/90/561816890.db2.gz KBRVEWFSDCONMH-XMMPIXPASA-N -1 3 554.665 4.436 1 0 KIAFHM Cc1cc(COc2ccc(S(=O)(=O)C[C@H](CC3CCC4(CC3)OCCO4)N([O-])C=O)cc2)c2ccccc2n1 ZINC000026732359 561816900 /nfs/dbraw/zinc/81/69/00/561816900.db2.gz KBRVEWFSDCONMH-DEOSSOPVSA-N -1 3 554.665 4.436 1 0 KIAFHM Cc1cc(COc2ccc(S(=O)(=O)C[C@@H](C3CCC4(CC3)OCCO4)N([O-])C=O)cc2)c2ccccc2n1 ZINC000026739351 561817921 /nfs/dbraw/zinc/81/79/21/561817921.db2.gz IDKUTWZTCGVYET-MHZLTWQESA-N -1 3 540.638 4.045 1 0 KIAFHM Cc1cc(COc2ccc(S(=O)(=O)C[C@H](C3CCC4(CC3)OCCO4)N([O-])C=O)cc2)c2ccccc2n1 ZINC000026739357 561817907 /nfs/dbraw/zinc/81/79/07/561817907.db2.gz IDKUTWZTCGVYET-HHHXNRCGSA-N -1 3 540.638 4.045 1 0 KIAFHM Cc1cc(COc2ccc(S(=O)(=O)C[C@@H](C=C3CCC(=O)CC3)N([O-])C=O)cc2)c2ccccc2n1 ZINC000026740920 561818146 /nfs/dbraw/zinc/81/81/46/561818146.db2.gz VDOSRWCTGZRCFD-JOCHJYFZSA-N -1 3 508.596 4.182 1 0 KIAFHM Cc1cc(COc2ccc(S(=O)(=O)C[C@H](C=C3CCC(=O)CC3)N([O-])C=O)cc2)c2ccccc2n1 ZINC000026740925 561818142 /nfs/dbraw/zinc/81/81/42/561818142.db2.gz VDOSRWCTGZRCFD-QFIPXVFZSA-N -1 3 508.596 4.182 1 0 KIAFHM Cn1cnc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC2(CCN(CCc4cccc5ccccc54)CC2)O3)c1 ZINC000026748224 561819241 /nfs/dbraw/zinc/81/92/41/561819241.db2.gz QYNFZZOONQJAIB-UHFFFAOYSA-N -1 3 530.650 4.417 1 0 KIAFHM CCCCc1nc(-c2cc(C(=O)OC)c[n+]([O-])c2)cn1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026748756 561819226 /nfs/dbraw/zinc/81/92/26/561819226.db2.gz JOKOXSDZXBGEIA-UHFFFAOYSA-N -1 3 509.570 4.208 1 0 KIAFHM CCCCc1nc(-c2cc(C(=O)OC)c[n+]([O-])c2)cn1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026748756 561819224 /nfs/dbraw/zinc/81/92/24/561819224.db2.gz JOKOXSDZXBGEIA-UHFFFAOYSA-N -1 3 509.570 4.208 1 0 KIAFHM CC(C)N(Cc1cc(F)ccc1F)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C[NH2+]C[C@H](O)c3ccc([O-])c([N-]S(C)(=O)=O)c3)CC2)cc1 ZINC000026749741 561819433 /nfs/dbraw/zinc/81/94/33/561819433.db2.gz LSHLFPZRBGUDCA-HKBQPEDESA-N -1 3 709.838 4.208 1 0 KIAFHM C[C@](Cc1ccccc1)([NH2+]C[C@H](O)c1ccc([O-])c([N-]S(C)(=O)=O)c1)c1ccc(OC(F)F)cc1 ZINC000026819343 561820896 /nfs/dbraw/zinc/82/08/96/561820896.db2.gz SWCHIYNKKDPGDI-UKILVPOCSA-N -1 3 506.571 4.146 1 0 KIAFHM CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccc(OC(F)(F)F)cc2)ccc1[O-] ZINC000026821244 561821104 /nfs/dbraw/zinc/82/11/04/561821104.db2.gz LTTRPGNJRAQBTP-REWPJTCUSA-N -1 3 510.534 4.269 1 0 KIAFHM CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccc(OC(F)(F)F)cc2)ccc1[O-] ZINC000026821249 561821096 /nfs/dbraw/zinc/82/10/96/561821096.db2.gz LTTRPGNJRAQBTP-OFNKIYASSA-N -1 3 510.534 4.269 1 0 KIAFHM CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccc(OCC(F)(F)F)cc2)ccc1[O-] ZINC000026830441 561822855 /nfs/dbraw/zinc/82/28/55/561822855.db2.gz FSWYDOVOAWEOEP-URXFXBBRSA-N -1 3 524.561 4.312 1 0 KIAFHM CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccc(OCC(F)(F)F)cc2)ccc1[O-] ZINC000026830445 561822918 /nfs/dbraw/zinc/82/29/18/561822918.db2.gz FSWYDOVOAWEOEP-QPPBQGQZSA-N -1 3 524.561 4.312 1 0 KIAFHM Cc1cc([C@@H](Cc2ccccc2)[NH2+]C[C@H](O)c2ccc([O-])c([N-]S(C)(=O)=O)c2)ccc1OC(F)F ZINC000026830864 561822894 /nfs/dbraw/zinc/82/28/94/561822894.db2.gz XFXOEBPBGTXXDH-OFNKIYASSA-N -1 3 506.571 4.281 1 0 KIAFHM CCCN(CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 ZINC000026946004 561828557 /nfs/dbraw/zinc/82/85/57/561828557.db2.gz MILFOJJOOUJUJF-ZJGIAAPESA-N -1 3 566.676 4.366 1 0 KIAFHM O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C(=S)N1CCCN1CCOCC1 ZINC000026946793 561828577 /nfs/dbraw/zinc/82/85/77/561828577.db2.gz UPLPXWJVQIBONS-LJAQVGFWSA-N -1 3 581.746 4.187 1 0 KIAFHM O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C(=S)N1CCCN1CCOCC1 ZINC000026946793 561828576 /nfs/dbraw/zinc/82/85/76/561828576.db2.gz UPLPXWJVQIBONS-LJAQVGFWSA-N -1 3 581.746 4.187 1 0 KIAFHM CCCCN(CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)S(=O)(=O)CCC ZINC000026958143 561829329 /nfs/dbraw/zinc/82/93/29/561829329.db2.gz WZLJNKGZGAUWGV-MVNQZMKCSA-N -1 3 546.686 4.107 1 0 KIAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CC(C)(C)C1OCCO1 ZINC000026959959 561829523 /nfs/dbraw/zinc/82/95/23/561829523.db2.gz DUPDECLTLXSMKU-TVZXLZGTSA-N -1 3 532.678 4.102 1 0 KIAFHM CCCCCS(=O)(=O)N(CCC)CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OCOC)cc1 ZINC000026961101 561829605 /nfs/dbraw/zinc/82/96/05/561829605.db2.gz XBLLETZPCNKDKQ-ZJGIAAPESA-N -1 3 590.739 4.471 1 0 KIAFHM CCCCCS(=O)(=O)N(CCC)CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000026963176 561829790 /nfs/dbraw/zinc/82/97/90/561829790.db2.gz SFLMBOKRIGVPNI-RTVRTQBESA-N -1 3 560.713 4.497 1 0 KIAFHM CCCCCS(=O)(=O)N(CCC)CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc2c(c1)OCCO2 ZINC000026965125 561829956 /nfs/dbraw/zinc/82/99/56/561829956.db2.gz VLMSIJGBYXQALB-ZPJFYFFZSA-N -1 3 588.723 4.260 1 0 KIAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCC1O[C@H](C)[C@@H](C)O1 ZINC000026973263 561830588 /nfs/dbraw/zinc/83/05/88/561830588.db2.gz WJTKWTNPJRXMJF-IVHKMSHMSA-N -1 3 532.678 4.243 1 0 KIAFHM CCCCS(=O)(=O)N(CCC)CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000026974307 561830712 /nfs/dbraw/zinc/83/07/12/561830712.db2.gz SJFQPPDABPUNBJ-MVNQZMKCSA-N -1 3 546.686 4.107 1 0 KIAFHM CCCN(CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000026976064 561830948 /nfs/dbraw/zinc/83/09/48/561830948.db2.gz JVNJDJVEVXFMRX-XUEBXJBISA-N -1 3 596.702 4.375 1 0 KIAFHM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCCNC(=O)c1ccccc1)C(=O)[O-])C(=O)Nc1ccccc1 ZINC000026982444 561831491 /nfs/dbraw/zinc/83/14/91/561831491.db2.gz PFJMJBQWTLBHRB-JBOQNHBVSA-N -1 3 586.733 4.410 1 0 KIAFHM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCCN1C(=O)c2ccccc2C1=O)C(=O)[O-])C(=O)Nc1ccccc1 ZINC000026982847 561831506 /nfs/dbraw/zinc/83/15/06/561831506.db2.gz RDCAEKWUGPXPHR-JBOQNHBVSA-N -1 3 612.727 4.277 1 0 KIAFHM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCNC(=O)c1ccccc1)C(=O)[O-])C(=O)Nc1ccccc1 ZINC000026984417 561831646 /nfs/dbraw/zinc/83/16/46/561831646.db2.gz NHZFPZSJJGPCJS-NHKHRBQYSA-N -1 3 572.706 4.020 1 0 KIAFHM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCCNC(=O)Cc1ccccc1)C(=O)[O-])C(=O)Nc1ccccc1 ZINC000026985555 561831879 /nfs/dbraw/zinc/83/18/79/561831879.db2.gz DGFULAROBOKMBD-YPKYBTACSA-N -1 3 600.760 4.339 1 0 KIAFHM [NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(Cc3ccc([O-])cn3)c2)c(I)c1)C(=O)[O-] ZINC000026997801 561833552 /nfs/dbraw/zinc/83/35/52/561833552.db2.gz NQWHELDBOBOZKS-SFHVURJKSA-N -1 3 632.192 4.040 1 0 KIAFHM COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c([N-]S(C)(=O)=O)c2)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000027106450 561840247 /nfs/dbraw/zinc/84/02/47/561840247.db2.gz 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CCS(=O)(=O)C[C@H](CC1CCCCC1)NCc1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)[O-])c(-c2ccccc2C)c1 ZINC000027527296 561866786 /nfs/dbraw/zinc/86/67/86/561866786.db2.gz ASWWGQSASVXGDY-SVEHJYQDSA-N -1 3 620.834 4.143 1 0 KIAFHM CCOC(=O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC[P@](=O)([O-])Oc1ccccc1 ZINC000027558056 561870039 /nfs/dbraw/zinc/87/00/39/561870039.db2.gz UWJVDOOSSQISRC-VWLOTQADSA-N -1 3 510.527 4.146 1 0 KIAFHM O=C([O-])C1CCN(C2CN(CC[C@@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000027620848 561872570 /nfs/dbraw/zinc/87/25/70/561872570.db2.gz KKYGPFJNUCFSFY-SANMLTNESA-N -1 3 508.490 4.135 1 0 KIAFHM [NH3+][C@H](Cc1cc(I)c(Oc2ccc([O-])c(Cl)c2)c(I)c1)C(=O)[O-] ZINC000027621460 561872538 /nfs/dbraw/zinc/87/25/38/561872538.db2.gz OCOJMGAXFLSBDU-GFCCVEGCSA-N -1 3 559.525 4.002 1 0 KIAFHM [NH3+][C@H](Cc1cc(I)c(Oc2ccc([O-])c(Br)c2)c(I)c1)C(=O)[O-] ZINC000027622486 561872668 /nfs/dbraw/zinc/87/26/68/561872668.db2.gz VZSBFDREVUPFLX-GFCCVEGCSA-N -1 3 603.976 4.111 1 0 KIAFHM CCOC(=O)[N-]C(=S)NCCOCC1=C(C(=O)OCC)[C@@H](c2cccc(Cl)c2Cl)C(C(=O)OC)=C(C)N1 ZINC000027650908 561876596 /nfs/dbraw/zinc/87/65/96/561876596.db2.gz KAPVJFWAWIPJMJ-KOXKPCSVSA-N -1 3 574.483 4.422 1 0 KIAFHM CCOC(=O)[N-]C(=S)NCCOCC1=C(C(=O)OCC)[C@H](c2cccc(Cl)c2Cl)C(C(=O)OC)=C(C)N1 ZINC000027650911 561876578 /nfs/dbraw/zinc/87/65/78/561876578.db2.gz KAPVJFWAWIPJMJ-DTBMRADHSA-N -1 3 574.483 4.422 1 0 KIAFHM CCCCc1nnc([S@@](=O)Cc2ccc(OC)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000027654018 561877209 /nfs/dbraw/zinc/87/72/09/561877209.db2.gz BQDLWBDJSHZVCH-VQJSHJPSSA-N -1 3 570.679 4.418 1 0 KIAFHM CCCCc1nnc([S@@](=O)Cc2ccc(OC)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000027654018 561877207 /nfs/dbraw/zinc/87/72/07/561877207.db2.gz BQDLWBDJSHZVCH-VQJSHJPSSA-N -1 3 570.679 4.418 1 0 KIAFHM CCCCc1nnc([S@](=O)Cc2ccc(OC)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000027654022 561877220 /nfs/dbraw/zinc/87/72/20/561877220.db2.gz BQDLWBDJSHZVCH-RWYGWLOXSA-N -1 3 570.679 4.418 1 0 KIAFHM CCCCc1nnc([S@](=O)Cc2ccc(OC)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000027654022 561877218 /nfs/dbraw/zinc/87/72/18/561877218.db2.gz BQDLWBDJSHZVCH-RWYGWLOXSA-N -1 3 570.679 4.418 1 0 KIAFHM C[C@@H](NC(=O)c1ccc([O-])cc1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027735177 561881743 /nfs/dbraw/zinc/88/17/43/561881743.db2.gz BAOSTAGMWRQRGC-OAQYLSRUSA-N -1 3 579.673 4.046 1 0 KIAFHM CCCCc1ccc(CN(C(C)C)S(C)(=O)=O)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027737896 561882216 /nfs/dbraw/zinc/88/22/16/561882216.db2.gz GJTNHLFNVUXTQU-UHFFFAOYSA-N -1 3 534.686 4.256 1 0 KIAFHM CCCCc1ccc(CN(C(C)C)S(C)(=O)=O)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027737896 561882214 /nfs/dbraw/zinc/88/22/14/561882214.db2.gz GJTNHLFNVUXTQU-UHFFFAOYSA-N -1 3 534.686 4.256 1 0 KIAFHM C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccccc3[O-])CC2)C[C@H]1C ZINC000027875707 561888676 /nfs/dbraw/zinc/88/86/76/561888676.db2.gz UDANGNSIKUQMHX-PKTZIBPZSA-N -1 3 591.730 4.326 1 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/nfs/dbraw/zinc/91/63/08/561916308.db2.gz KFSFYLCHRKHXSZ-DWNJJFLRSA-N -1 3 605.220 4.241 1 0 KIAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@@H]1C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccc(C)c(C)c1 ZINC000028357619 561916290 /nfs/dbraw/zinc/91/62/90/561916290.db2.gz XIFYEJYQRVQJKZ-HPJAXEMBSA-N -1 3 598.829 4.205 1 0 KIAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1cc(C)cc(C)c1 ZINC000028367586 561917857 /nfs/dbraw/zinc/91/78/57/561917857.db2.gz VQFFDAVWRQSYDL-SOLWDGIASA-N -1 3 501.712 4.214 1 0 KIAFHM CCOC(=O)CN1CCN(C(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])CC1 ZINC000028370225 561918243 /nfs/dbraw/zinc/91/82/43/561918243.db2.gz POMNQNLISTUMAO-UHFFFAOYSA-N -1 3 584.016 4.372 1 0 KIAFHM O=C(CCN1CCN(CCO)CC1)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1[O-] ZINC000028378273 561919554 /nfs/dbraw/zinc/91/95/54/561919554.db2.gz NRVRWSKBMSBIES-UHFFFAOYSA-N -1 3 570.033 4.234 1 0 KIAFHM O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2[O-])c1SC[C@H](O)CN1CCOCC1 ZINC000028379163 561919805 /nfs/dbraw/zinc/91/98/05/561919805.db2.gz SUWXNTVLLYXJAC-OAHLLOKOSA-N -1 3 514.953 4.358 1 0 KIAFHM O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2[O-])c1SC[C@@H](O)CN1CCOCC1 ZINC000028379172 561919823 /nfs/dbraw/zinc/91/98/23/561919823.db2.gz SUWXNTVLLYXJAC-HNNXBMFYSA-N -1 3 514.953 4.358 1 0 KIAFHM CN1CCN(C(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])CC1 ZINC000028379879 561919991 /nfs/dbraw/zinc/91/99/91/561919991.db2.gz DROAXDKMEJHTFB-UHFFFAOYSA-N -1 3 511.953 4.439 1 0 KIAFHM CC(C)COC(=O)N[C@H](C(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(-c2nn[n-]n2)cc1F)C(C)C ZINC000028380320 561919943 /nfs/dbraw/zinc/91/99/43/561919943.db2.gz DCTIRYQEVHXMIQ-NLALRGLNSA-N -1 3 724.801 4.148 1 0 KIAFHM CC(C)COC(=O)N[C@H](C(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(-c2nnn[n-]2)cc1F)C(C)C ZINC000028380320 561919942 /nfs/dbraw/zinc/91/99/42/561919942.db2.gz DCTIRYQEVHXMIQ-NLALRGLNSA-N -1 3 724.801 4.148 1 0 KIAFHM NC(=O)C1CCN(C(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])CC1 ZINC000028383365 561920466 /nfs/dbraw/zinc/92/04/66/561920466.db2.gz NPXXRJXMWXRGFS-UHFFFAOYSA-N -1 3 539.963 4.389 1 0 KIAFHM CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H](N)Cc2cc(F)c(C(F)(F)F)cc2F)cc1)C(=O)[O-] ZINC000028383913 561920653 /nfs/dbraw/zinc/92/06/53/561920653.db2.gz RTCDYLCGLLQXOI-VVMVZBAXSA-N -1 3 585.570 4.039 1 0 KIAFHM CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2cc(F)c(C(F)(F)F)cc2F)cc1)C(=O)[O-] ZINC000028383920 561920633 /nfs/dbraw/zinc/92/06/33/561920633.db2.gz RTCDYLCGLLQXOI-FMNCTDSISA-N -1 3 585.570 4.039 1 0 KIAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccc(Cl)cc1 ZINC000028385832 561921070 /nfs/dbraw/zinc/92/10/70/561921070.db2.gz KVVCIDKVEWGLJL-BMFOWHTDSA-N -1 3 508.103 4.250 1 0 KIAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccc(C)c(C)c1 ZINC000028391980 561922547 /nfs/dbraw/zinc/92/25/47/561922547.db2.gz GEGQLUKUTCSFHJ-SOLWDGIASA-N -1 3 501.712 4.214 1 0 KIAFHM CCc1cccc(C(C)(C)[C@H](NC)C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)c1 ZINC000028393031 561922633 /nfs/dbraw/zinc/92/26/33/561922633.db2.gz DCMKGHBBBBUFAJ-NKFIOLHFSA-N -1 3 501.712 4.159 1 0 KIAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1cccc(Cl)c1 ZINC000028393105 561922663 /nfs/dbraw/zinc/92/26/63/561922663.db2.gz OJNVNSUVFJBDOZ-ZYRIPLEJSA-N -1 3 508.103 4.250 1 0 KIAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1cccc(Br)c1 ZINC000028393883 561922779 /nfs/dbraw/zinc/92/27/79/561922779.db2.gz SHCSFCZXLYKOQM-ZYRIPLEJSA-N -1 3 552.554 4.360 1 0 KIAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])Cc1ccccc1)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028396408 561923159 /nfs/dbraw/zinc/92/31/59/561923159.db2.gz GAVQDHXSPWAMJP-YRVXYSIBSA-N -1 3 521.702 4.184 1 0 KIAFHM Cc1cc(COc2ccc([C@]3(N4CCN(CC(C)(C)C)CC4)C(=O)[N-]C(=O)NC3=O)cc2)c2ccccc2n1 ZINC000028471934 561927038 /nfs/dbraw/zinc/92/70/38/561927038.db2.gz ZWTFDOKRWKJVER-UHFFFAOYSA-N -1 3 529.641 4.188 1 0 KIAFHM Cc1cc(COc2ccc([C@@]3(N4CCN(CC(C)(C)C)CC4)C(=O)[N-]C(=O)NC3=O)cc2)c2ccccc2n1 ZINC000028471934 561927036 /nfs/dbraw/zinc/92/70/36/561927036.db2.gz ZWTFDOKRWKJVER-UHFFFAOYSA-N -1 3 529.641 4.188 1 0 KIAFHM COc1cc2c(cc1OCCCN1CCOCC1)ncnc2[N-]c1ncc(C(=O)Nc2ccc(F)cc2)s1 ZINC000028568213 561937227 /nfs/dbraw/zinc/93/72/27/561937227.db2.gz GUKNWLMFOBWSRH-UHFFFAOYSA-N -1 3 538.605 4.331 1 0 KIAFHM CC(C)(C)c1nc(N2CCN(CCCCn3c(=O)cc([O-])c4ccccc43)CC2)cc(C(F)(F)F)n1 ZINC000028568387 561937286 /nfs/dbraw/zinc/93/72/86/561937286.db2.gz ZRPHNBZAKYUMQJ-UHFFFAOYSA-N -1 3 503.569 4.315 1 0 KIAFHM C[C@@H]1CN([C@@H](c2cccc(O)c2)c2ccc3c(c2)CN(C(=O)CC(=O)[O-])CC3)[C@@H](C)CN1Cc1ccccc1 ZINC000028568771 561937431 /nfs/dbraw/zinc/93/74/31/561937431.db2.gz LNHGYHTWTCRAMU-MODXFSQWSA-N -1 3 527.665 4.436 1 0 KIAFHM C[C@@H]1CN([C@@H](c2cccc(O)c2)c2ccc3c(c2)CN(C(=O)C(=O)[O-])CC3)[C@@H](C)CN1Cc1ccccc1 ZINC000028570512 561938909 /nfs/dbraw/zinc/93/89/09/561938909.db2.gz XUYXSBCTKCHFMO-BXOOBUKZSA-N -1 3 513.638 4.046 1 0 KIAFHM OC[C@@H](O)CSc1nc2c([n-]1)c(Br)c(Br)c(Br)c2Br ZINC000028635174 561940939 /nfs/dbraw/zinc/94/09/39/561940939.db2.gz ZINZWNRTDWPXLZ-GSVOUGTGSA-N -1 3 539.869 4.058 1 0 KIAFHM OC[C@H](O)CSc1nc2c([n-]1)c(Br)c(Br)c(Br)c2Br ZINC000028635175 561940901 /nfs/dbraw/zinc/94/09/01/561940901.db2.gz ZINZWNRTDWPXLZ-VKHMYHEASA-N -1 3 539.869 4.058 1 0 KIAFHM CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2ncc(C(=O)N3CCN(Cc4ccccc4)CC3)c([O-])c2c1 ZINC000028640806 561943067 /nfs/dbraw/zinc/94/30/67/561943067.db2.gz MMHOYLKBDWWVGK-UHFFFAOYSA-N -1 3 595.519 4.074 1 0 KIAFHM CCOC(=O)COc1cc(-c2cc([O-])c3c(=O)cc(OCCN4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)cc-3o2)ccc1OC ZINC000028703044 561947659 /nfs/dbraw/zinc/94/76/59/561947659.db2.gz ZZRGJCPZVFSJLN-UHFFFAOYSA-N -1 3 678.735 4.339 1 0 KIAFHM CCCN(CCC)C(=O)c1cc(C(=O)[O-])cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(OC)c2)c1 ZINC000028705244 561949040 /nfs/dbraw/zinc/94/90/40/561949040.db2.gz SGXPAUVERYLCOT-XZWHSSHBSA-N -1 3 575.706 4.147 1 0 KIAFHM CC1(C)Oc2ccc(C(=O)NCCc3ccccc3)cc2[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)[C@@H]1O ZINC000028706617 561949781 /nfs/dbraw/zinc/94/97/81/561949781.db2.gz ILUSBUCMQFNCGG-RPWUZVMVSA-N -1 3 548.583 4.229 1 0 KIAFHM CC1(C)Oc2ccc(C(=O)NCCc3ccccc3)cc2[C@@H]([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)[C@@H]1O ZINC000028706660 561949828 /nfs/dbraw/zinc/94/98/28/561949828.db2.gz FTXHDGBKIZXPRJ-RPWUZVMVSA-N -1 3 564.582 4.109 1 0 KIAFHM Cc1c([O-])ccc2cc(NC(=O)c3cccc(C(=O)Nc4cc5ccc(O)c(C)c5oc4=O)c3)c(=O)oc12 ZINC000028708410 561950434 /nfs/dbraw/zinc/95/04/34/561950434.db2.gz STEQDZIBMDBHLC-UHFFFAOYSA-N -1 3 512.474 4.432 1 0 KIAFHM Cc1cc(=O)n(CC(=O)N(C)C)nc1-c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c2c1 ZINC000028754780 561955299 /nfs/dbraw/zinc/95/52/99/561955299.db2.gz UGVNUCXUVFCORN-UHFFFAOYSA-N 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DMFOCHQSMRMIAV-UHFFFAOYSA-N -1 3 573.661 4.224 1 0 KIAFHM C[C@@H]1CC(=O)N(CC(=O)N(C)C)N=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c2c1 ZINC000028757124 561956717 /nfs/dbraw/zinc/95/67/17/561956717.db2.gz JFKKZPKIWBQQMN-HXUWFJFHSA-N -1 3 587.688 4.470 1 0 KIAFHM C[C@@H]1CC(=O)N(CC(=O)N(C)C)N=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)c2c1 ZINC000028757124 561956715 /nfs/dbraw/zinc/95/67/15/561956715.db2.gz JFKKZPKIWBQQMN-HXUWFJFHSA-N -1 3 587.688 4.470 1 0 KIAFHM C[C@H]1CC(=O)N(CC(=O)N(C)C)N=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c2c1 ZINC000028757127 561956669 /nfs/dbraw/zinc/95/66/69/561956669.db2.gz JFKKZPKIWBQQMN-FQEVSTJZSA-N -1 3 587.688 4.470 1 0 KIAFHM C[C@H]1CC(=O)N(CC(=O)N(C)C)N=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)c2c1 ZINC000028757127 561956667 /nfs/dbraw/zinc/95/66/67/561956667.db2.gz JFKKZPKIWBQQMN-FQEVSTJZSA-N -1 3 587.688 4.470 1 0 KIAFHM CCCCc1nc2ccc(S(C)(=O)=O)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028757881 561957143 /nfs/dbraw/zinc/95/71/43/561957143.db2.gz UDAHGYXACBSDBI-UHFFFAOYSA-N -1 3 514.611 4.038 1 0 KIAFHM CCCCc1nc2ccc(S(C)(=O)=O)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028757881 561957140 /nfs/dbraw/zinc/95/71/40/561957140.db2.gz UDAHGYXACBSDBI-UHFFFAOYSA-N -1 3 514.611 4.038 1 0 KIAFHM CN1CCC(Oc2ccc(N(C/C=C/c3cc(C(N)=[NH2+])ccc3[O-])C(=O)CCC(=O)[O-])cc2C(F)(F)F)CC1 ZINC000028760069 561957700 /nfs/dbraw/zinc/95/77/00/561957700.db2.gz NKSLZFJLSABSEY-NSCUHMNNSA-N -1 3 548.562 4.079 1 0 KIAFHM Cc1c(S(=O)(=O)[N-]C[C@@](O)(C[C@@]2(C)CCCc3ccccc32)C(F)(F)F)cnn1-c1ccccc1 ZINC000028824193 561969314 /nfs/dbraw/zinc/96/93/14/561969314.db2.gz AUZUBZUZHSEFBR-RPWUZVMVSA-N -1 3 507.578 4.437 1 0 KIAFHM Cc1c(S(=O)(=O)[N-]C[C@](O)(C[C@@]2(C)CCCc3ccccc32)C(F)(F)F)cnn1-c1ccccc1 ZINC000028824194 561969317 /nfs/dbraw/zinc/96/93/17/561969317.db2.gz AUZUBZUZHSEFBR-DNQXCXABSA-N -1 3 507.578 4.437 1 0 KIAFHM Cc1c(S(=O)(=O)[N-]C[C@@](O)(C[C@]2(C)CCCc3ccccc32)C(F)(F)F)cnn1-c1ccccc1 ZINC000028824195 561969299 /nfs/dbraw/zinc/96/92/99/561969299.db2.gz AUZUBZUZHSEFBR-ZEQRLZLVSA-N -1 3 507.578 4.437 1 0 KIAFHM CCOC(=O)[C@@H]1[C@H](c2cc(Cl)ccc2Cl)N[C@H](C(=O)[O-])[C@H]1[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1 ZINC000028885517 561977599 /nfs/dbraw/zinc/97/75/99/561977599.db2.gz NMCRUMFZXHBWBC-DEPZDMCYSA-N -1 3 580.461 4.348 1 0 KIAFHM CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC000028897140 561979273 /nfs/dbraw/zinc/97/92/73/561979273.db2.gz BYOBXAIHEGINGL-UHFFFAOYSA-N -1 3 547.822 4.360 1 0 KIAFHM CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC000028897140 561979271 /nfs/dbraw/zinc/97/92/71/561979271.db2.gz BYOBXAIHEGINGL-UHFFFAOYSA-N -1 3 547.822 4.360 1 0 KIAFHM CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2Cc2nn[n-]n2)cc1 ZINC000028897159 561979233 /nfs/dbraw/zinc/97/92/33/561979233.db2.gz UBFGEXKMGNUCOU-UHFFFAOYSA-N -1 3 561.849 4.284 1 0 KIAFHM CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2Cc2nnn[n-]2)cc1 ZINC000028897159 561979232 /nfs/dbraw/zinc/97/92/32/561979232.db2.gz UBFGEXKMGNUCOU-UHFFFAOYSA-N -1 3 561.849 4.284 1 0 KIAFHM CN(C)C[C@@H]1CN(C(=O)Cn2c3cc(-c4nc(=O)o[n-]4)ccc3c(C3CCCCC3)c2-c2ccoc2)CCO1 ZINC000028949707 561980920 /nfs/dbraw/zinc/98/09/20/561980920.db2.gz GVVUXIZEBUMNKF-JOCHJYFZSA-N -1 3 533.629 4.081 1 0 KIAFHM CN(C)C[C@H]1CN(C(=O)Cn2c3cc(-c4nc(=O)o[n-]4)ccc3c(C3CCCCC3)c2-c2ccoc2)CCO1 ZINC000028949708 561980925 /nfs/dbraw/zinc/98/09/25/561980925.db2.gz GVVUXIZEBUMNKF-QFIPXVFZSA-N -1 3 533.629 4.081 1 0 KIAFHM Cc1nccc(N2CCC(C(=O)N3CC[C@@H](C[N-]S(=O)(=O)c4ccc(-c5ccc(Cl)s5)s4)C3)CC2)n1 ZINC000028956097 561983007 /nfs/dbraw/zinc/98/30/07/561983007.db2.gz LMPUFOVWGXBROO-KRWDZBQOSA-N -1 3 566.174 4.272 1 0 KIAFHM Cc1cc(-c2cc([O-])ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N(C)CCN4CCOCC4)cc3)nc12 ZINC000028957666 561983318 /nfs/dbraw/zinc/98/33/18/561983318.db2.gz PUJPRSYMMNNGBM-UHFFFAOYSA-N -1 3 569.087 4.056 1 0 KIAFHM CS(=O)(=O)[N-]c1c([O-])ccc([C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)c1F ZINC000028957987 561983460 /nfs/dbraw/zinc/98/34/60/561983460.db2.gz MZJVFYBQIVBRLG-CTNGQTDRSA-N -1 3 510.534 4.111 1 0 KIAFHM COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)Nc1ccccc1[O-])OC3=O ZINC000028966752 561985220 /nfs/dbraw/zinc/98/52/20/561985220.db2.gz XCEQOUFPLJJKHE-LZZOSRSJSA-N -1 3 523.582 4.130 1 0 KIAFHM CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@@H]([N-]S(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000028979531 561988160 /nfs/dbraw/zinc/98/81/60/561988160.db2.gz GFNBLRVHGQFIQU-XSSIKURBSA-N -1 3 555.074 4.307 1 0 KIAFHM CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@H]([N-]S(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000028979537 561988199 /nfs/dbraw/zinc/98/81/99/561988199.db2.gz GFNBLRVHGQFIQU-BPOBUFBUSA-N -1 3 555.074 4.307 1 0 KIAFHM CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@@H]([N-]S(=O)(=O)/C=C/c3ccc(Cl)cc3)C2=O)c(F)c1 ZINC000028979549 561988183 /nfs/dbraw/zinc/98/81/83/561988183.db2.gz VMWBUJQMUMVTRC-UVEFMEQMSA-N -1 3 549.045 4.245 1 0 KIAFHM CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@H]([N-]S(=O)(=O)/C=C/c3ccc(Cl)cc3)C2=O)c(F)c1 ZINC000028979552 561988177 /nfs/dbraw/zinc/98/81/77/561988177.db2.gz VMWBUJQMUMVTRC-LVANHBEFSA-N -1 3 549.045 4.245 1 0 KIAFHM CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c(F)c1 ZINC000028979556 561988275 /nfs/dbraw/zinc/98/82/75/561988275.db2.gz AGGUXHLPVWPMGW-QGZVFWFLSA-N -1 3 580.084 4.243 1 0 KIAFHM CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@H]([N-]S(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c(F)c1 ZINC000028979558 561988255 /nfs/dbraw/zinc/98/82/55/561988255.db2.gz AGGUXHLPVWPMGW-KRWDZBQOSA-N -1 3 580.084 4.243 1 0 KIAFHM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(N2C=C(C(=O)N[C@H](CN(C)C)c3ccccc3)NN2)c1 ZINC000029045461 561992474 /nfs/dbraw/zinc/99/24/74/561992474.db2.gz GWFLBGDVJNIUJZ-HHHXNRCGSA-N -1 3 649.818 4.015 1 0 KIAFHM CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3ccc(-c4ccon4)s3)C2=O)c(F)c1 ZINC000029125891 561998072 /nfs/dbraw/zinc/99/80/72/561998072.db2.gz SGFSFNNCXKZEQZ-HXUWFJFHSA-N -1 3 575.665 4.087 1 0 KIAFHM CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3ccc(-c4ccon4)s3)C2=O)c(F)c1 ZINC000029125892 561998064 /nfs/dbraw/zinc/99/80/64/561998064.db2.gz SGFSFNNCXKZEQZ-FQEVSTJZSA-N -1 3 575.665 4.087 1 0 KIAFHM CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000029125982 561998297 /nfs/dbraw/zinc/99/82/97/561998297.db2.gz MZFWRIWUKKIZFN-QGZVFWFLSA-N -1 3 543.063 4.085 1 0 KIAFHM CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000029125983 561998282 /nfs/dbraw/zinc/99/82/82/561998282.db2.gz MZFWRIWUKKIZFN-KRWDZBQOSA-N -1 3 543.063 4.085 1 0 KIAFHM Cn1c2cc(OCCCN3CCOCC3)c(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)[N-]C1=O ZINC000029127123 561999483 /nfs/dbraw/zinc/99/94/83/561999483.db2.gz BCVLVGSGZQVOKG-UHFFFAOYSA-N -1 3 519.985 4.342 1 0 KIAFHM O=C1[N-]C(=O)c2c1c1c(cc2-c2ccccc2Cl)[nH]c2cc(OCCCN3CCOCC3)c(O)cc21 ZINC000029127360 561999767 /nfs/dbraw/zinc/99/97/67/561999767.db2.gz PRKCCLJEHATTSX-UHFFFAOYSA-N -1 3 505.958 4.332 1 0 KIAFHM O=C1[N-]C(=O)c2c1c1c3cc(O)c(CCCCN4CCOCC4)cc3n(CCO)c1cc2-c1ccccc1Cl ZINC000029127504 561999925 /nfs/dbraw/zinc/99/99/25/561999925.db2.gz RZCATXGDVMCPBZ-UHFFFAOYSA-N -1 3 548.039 4.351 1 0 KIAFHM CN(C)Cc1ccnn1-c1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1 ZINC000029130319 562002575 /nfs/dbraw/zinc/00/25/75/562002575.db2.gz BQHWDQRBFAWESG-HXUWFJFHSA-N -1 3 548.065 4.025 1 0 KIAFHM CN(C)Cc1ccnn1-c1ccc(N2CC[C@H]([N-]S(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1 ZINC000029130322 562002514 /nfs/dbraw/zinc/00/25/14/562002514.db2.gz BQHWDQRBFAWESG-FQEVSTJZSA-N -1 3 548.065 4.025 1 0 KIAFHM CN(C)Cc1nccn1-c1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3cc4cc(Cl)ccc4s3)C2=O)c(F)c1 ZINC000029130542 562002730 /nfs/dbraw/zinc/00/27/30/562002730.db2.gz KCAWJHOCWIRPFO-LJQANCHMSA-N -1 3 548.065 4.025 1 0 KIAFHM CN(C)Cc1nccn1-c1ccc(N2CC[C@H]([N-]S(=O)(=O)c3cc4cc(Cl)ccc4s3)C2=O)c(F)c1 ZINC000029130544 562002727 /nfs/dbraw/zinc/00/27/27/562002727.db2.gz KCAWJHOCWIRPFO-IBGZPJMESA-N -1 3 548.065 4.025 1 0 KIAFHM CN(C)Cc1nccn1-c1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1 ZINC000029130638 562002691 /nfs/dbraw/zinc/00/26/91/562002691.db2.gz DKRDUCDSTOZUTF-LJQANCHMSA-N -1 3 548.065 4.025 1 0 KIAFHM CN(C)Cc1nccn1-c1ccc(N2CC[C@H]([N-]S(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1 ZINC000029130641 562002718 /nfs/dbraw/zinc/00/27/18/562002718.db2.gz DKRDUCDSTOZUTF-IBGZPJMESA-N -1 3 548.065 4.025 1 0 KIAFHM CC(C)N(C)Cc1nccn1-c1ccc(N2CC[C@@H]([N-]S(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000029131333 562002973 /nfs/dbraw/zinc/00/29/73/562002973.db2.gz AEASBNXMBGMIRQ-CWUFLNSKSA-N -1 3 552.097 4.262 1 0 KIAFHM CC(C)N(C)Cc1nccn1-c1ccc(N2CC[C@H]([N-]S(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000029131335 562003022 /nfs/dbraw/zinc/00/30/22/562003022.db2.gz AEASBNXMBGMIRQ-SQSZOCELSA-N -1 3 552.097 4.262 1 0 KIAFHM O=C1[C@H]([N-]S(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc(-n2ccnc2CN2CCCC2)cc1F ZINC000029131406 562002989 /nfs/dbraw/zinc/00/29/89/562002989.db2.gz JOYIXYJPYBKNIH-OAZIQKMDSA-N -1 3 550.081 4.018 1 0 KIAFHM O=C1[C@@H]([N-]S(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc(-n2ccnc2CN2CCCC2)cc1F ZINC000029131409 562002983 /nfs/dbraw/zinc/00/29/83/562002983.db2.gz JOYIXYJPYBKNIH-MXECYCPESA-N -1 3 550.081 4.018 1 0 KIAFHM CN(C)Cc1cn(-c2ccc(N3CC[C@@H]([N-]S(=O)(=O)c4cc5ccc(Cl)cc5s4)C3=O)c(F)c2)cn1 ZINC000029131501 562003160 /nfs/dbraw/zinc/00/31/60/562003160.db2.gz QKWTYEGYLQSEDP-HXUWFJFHSA-N -1 3 548.065 4.025 1 0 KIAFHM CN(C)Cc1cn(-c2ccc(N3CC[C@H]([N-]S(=O)(=O)c4cc5ccc(Cl)cc5s4)C3=O)c(F)c2)cn1 ZINC000029131503 562003154 /nfs/dbraw/zinc/00/31/54/562003154.db2.gz QKWTYEGYLQSEDP-FQEVSTJZSA-N -1 3 548.065 4.025 1 0 KIAFHM CN(C)Cc1ccn(-c2ccc(N3CC[C@@H]([N-]S(=O)(=O)c4cc5ccc(Cl)cc5s4)C3=O)c(F)c2)n1 ZINC000029131505 562003238 /nfs/dbraw/zinc/00/32/38/562003238.db2.gz HIRJHHRYKAGMDW-HXUWFJFHSA-N -1 3 548.065 4.025 1 0 KIAFHM CN(C)Cc1ccn(-c2ccc(N3CC[C@H]([N-]S(=O)(=O)c4cc5ccc(Cl)cc5s4)C3=O)c(F)c2)n1 ZINC000029131507 562003169 /nfs/dbraw/zinc/00/31/69/562003169.db2.gz HIRJHHRYKAGMDW-FQEVSTJZSA-N -1 3 548.065 4.025 1 0 KIAFHM Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)[C@@H](NC(=O)Nc1cccc(-c3nn[n-]n3)c1)N=C2c1ccccc1F ZINC000029239579 562010046 /nfs/dbraw/zinc/01/00/46/562010046.db2.gz ROLRUNMSDPGQLT-KWKOMPBNSA-N -1 3 635.704 4.295 1 0 KIAFHM Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)[C@@H](NC(=O)Nc1cccc(-c3nnn[n-]3)c1)N=C2c1ccccc1F ZINC000029239579 562010045 /nfs/dbraw/zinc/01/00/45/562010045.db2.gz ROLRUNMSDPGQLT-KWKOMPBNSA-N -1 3 635.704 4.295 1 0 KIAFHM COc1ccc(CN[C@@H]2C[C@@H](C)O[C@@]2(C)C(=O)N[C@@H](Cc2ccc(-c3c(OC)cccc3OC)cc2)C(=O)[O-])cc1 ZINC000029316714 562012485 /nfs/dbraw/zinc/01/24/85/562012485.db2.gz YTCSFWUXKXTEKH-LVHBFJONSA-N -1 3 562.663 4.217 1 0 KIAFHM COc1ccc(CN[C@H]2C[C@@H](C)O[C@@]2(C)C(=O)N[C@@H](Cc2ccc(-c3c(OC)cccc3OC)cc2)C(=O)[O-])cc1 ZINC000029316721 562012418 /nfs/dbraw/zinc/01/24/18/562012418.db2.gz YTCSFWUXKXTEKH-YCURMVRISA-N -1 3 562.663 4.217 1 0 KIAFHM COc1ccc(CN[C@@H]2C[C@H](C)O[C@@]2(C)C(=O)N[C@@H](Cc2ccc(-c3c(OC)cccc3OC)cc2)C(=O)[O-])cc1 ZINC000029316726 562012424 /nfs/dbraw/zinc/01/24/24/562012424.db2.gz YTCSFWUXKXTEKH-KYAQENHPSA-N -1 3 562.663 4.217 1 0 KIAFHM COc1ccc(CN[C@H]2C[C@H](C)O[C@@]2(C)C(=O)N[C@@H](Cc2ccc(-c3c(OC)cccc3OC)cc2)C(=O)[O-])cc1 ZINC000029316733 562012441 /nfs/dbraw/zinc/01/24/41/562012441.db2.gz YTCSFWUXKXTEKH-HAPFXTTBSA-N -1 3 562.663 4.217 1 0 KIAFHM CCCCc1nc2ccn(CC(=O)NC(C)(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029396078 562018608 /nfs/dbraw/zinc/01/86/08/562018608.db2.gz NTVPMPFYEITAQZ-UHFFFAOYSA-N -1 3 538.656 4.351 1 0 KIAFHM CCCCc1nc2ccn(CC(=O)NC(C)(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029396078 562018607 /nfs/dbraw/zinc/01/86/07/562018607.db2.gz NTVPMPFYEITAQZ-UHFFFAOYSA-N -1 3 538.656 4.351 1 0 KIAFHM CCCCc1nc2ccn(CC(=O)N3CCCC3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029396098 562018616 /nfs/dbraw/zinc/01/86/16/562018616.db2.gz SGKFZODOLUDBTL-UHFFFAOYSA-N -1 3 536.640 4.058 1 0 KIAFHM CCCCc1nc2ccn(CC(=O)N3CCCC3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029396098 562018615 /nfs/dbraw/zinc/01/86/15/562018615.db2.gz SGKFZODOLUDBTL-UHFFFAOYSA-N -1 3 536.640 4.058 1 0 KIAFHM NC(=[NH2+])c1ccc2[nH]c(-c3cc(Cc4nn[n-]n4)cc(Br)c3[O-])c(Cc3ccccc3)c2c1 ZINC000029479752 562027046 /nfs/dbraw/zinc/02/70/46/562027046.db2.gz AKKWRLYFNUWVJB-UHFFFAOYSA-N -1 3 502.376 4.282 1 0 KIAFHM NC(=[NH2+])c1ccc2[nH]c(-c3cc(Cc4nnn[n-]4)cc(Br)c3[O-])c(Cc3ccccc3)c2c1 ZINC000029479752 562027044 /nfs/dbraw/zinc/02/70/44/562027044.db2.gz AKKWRLYFNUWVJB-UHFFFAOYSA-N -1 3 502.376 4.282 1 0 KIAFHM CCCCc1nc2ccc([C@H]3[C@@H]4C(=O)OC[C@@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029481076 562027330 /nfs/dbraw/zinc/02/73/30/562027330.db2.gz GZKMGJWQSRSTMU-MKYKQAKUSA-N -1 3 577.645 4.094 1 0 KIAFHM CCCCc1nc2ccc([C@H]3[C@@H]4C(=O)OC[C@@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029481076 562027328 /nfs/dbraw/zinc/02/73/28/562027328.db2.gz GZKMGJWQSRSTMU-MKYKQAKUSA-N -1 3 577.645 4.094 1 0 KIAFHM CCCCc1nc2ccc([C@@H]3[C@@H]4C(=O)OC[C@@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029481838 562027524 /nfs/dbraw/zinc/02/75/24/562027524.db2.gz GZKMGJWQSRSTMU-WIIGKZCBSA-N -1 3 577.645 4.094 1 0 KIAFHM CCCCc1nc2ccc([C@@H]3[C@@H]4C(=O)OC[C@@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029481838 562027522 /nfs/dbraw/zinc/02/75/22/562027522.db2.gz GZKMGJWQSRSTMU-WIIGKZCBSA-N -1 3 577.645 4.094 1 0 KIAFHM CCCCc1nc2ccc([C@@H]3C[C@H](CO)ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029483921 562027905 /nfs/dbraw/zinc/02/79/05/562027905.db2.gz GXGPQZSLPQKAHA-LXFBAYGMSA-N -1 3 551.651 4.304 1 0 KIAFHM CCCCc1nc2ccc([C@@H]3C[C@H](CO)ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029483921 562027904 /nfs/dbraw/zinc/02/79/04/562027904.db2.gz GXGPQZSLPQKAHA-LXFBAYGMSA-N -1 3 551.651 4.304 1 0 KIAFHM CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)[N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000029545198 562029595 /nfs/dbraw/zinc/02/95/95/562029595.db2.gz LMBAHIQQWBYSQP-AREMUKBSSA-N -1 3 652.622 4.197 1 0 KIAFHM CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](COCc3ccccc3)[N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000029545201 562029611 /nfs/dbraw/zinc/02/96/11/562029611.db2.gz LMBAHIQQWBYSQP-SANMLTNESA-N -1 3 652.622 4.197 1 0 KIAFHM CCOC(=O)c1ccc2nc(OC(C)C)c(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c(=O)n2c1 ZINC000029545748 562029773 /nfs/dbraw/zinc/02/97/73/562029773.db2.gz NZFGVEQFJYCDIJ-UHFFFAOYSA-N -1 3 510.554 4.096 1 0 KIAFHM CCOC(=O)c1ccc2nc(OC(C)C)c(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)c(=O)n2c1 ZINC000029545748 562029771 /nfs/dbraw/zinc/02/97/71/562029771.db2.gz NZFGVEQFJYCDIJ-UHFFFAOYSA-N -1 3 510.554 4.096 1 0 KIAFHM Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[n-]n3)c1)C[C@@H]2c1ccccc1 ZINC000029567008 562034549 /nfs/dbraw/zinc/03/45/49/562034549.db2.gz MQIOWUHVKXZQPM-JWQCQUIFSA-N -1 3 566.666 4.149 1 0 KIAFHM Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nnn[n-]3)c1)C[C@@H]2c1ccccc1 ZINC000029567008 562034547 /nfs/dbraw/zinc/03/45/47/562034547.db2.gz MQIOWUHVKXZQPM-JWQCQUIFSA-N -1 3 566.666 4.149 1 0 KIAFHM Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[n-]n3)c1)C[C@@H]2Cc1ccccc1 ZINC000029568384 562034926 /nfs/dbraw/zinc/03/49/26/562034926.db2.gz OFQAQYAFHZCAOX-JYFHCDHNSA-N -1 3 580.693 4.343 1 0 KIAFHM Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nnn[n-]3)c1)C[C@@H]2Cc1ccccc1 ZINC000029568384 562034925 /nfs/dbraw/zinc/03/49/25/562034925.db2.gz OFQAQYAFHZCAOX-JYFHCDHNSA-N -1 3 580.693 4.343 1 0 KIAFHM Cc1ccc([C@H]2C[C@@H](NC(=O)Nc3cccc(-c4nn[n-]n4)c3)C(=O)N(CC(=O)NC(C)(C)C)c3cc(C)ccc32)cc1 ZINC000029568920 562035109 /nfs/dbraw/zinc/03/51/09/562035109.db2.gz SYGCFCSEEIGJCO-CLJLJLNGSA-N -1 3 580.693 4.457 1 0 KIAFHM Cc1ccc([C@H]2C[C@@H](NC(=O)Nc3cccc(-c4nnn[n-]4)c3)C(=O)N(CC(=O)NC(C)(C)C)c3cc(C)ccc32)cc1 ZINC000029568920 562035107 /nfs/dbraw/zinc/03/51/07/562035107.db2.gz SYGCFCSEEIGJCO-CLJLJLNGSA-N -1 3 580.693 4.457 1 0 KIAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1c[nH]c2ccccc21 ZINC000033838252 562037701 /nfs/dbraw/zinc/03/77/01/562037701.db2.gz CWGCIGQBFBEZLP-AULKDKKBSA-N -1 3 512.695 4.078 1 0 KIAFHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(c3nc(C)ccc3C(=O)NCCc3cccs3)CC2)c1 ZINC000033892571 562037657 /nfs/dbraw/zinc/03/76/57/562037657.db2.gz WWAWMBZTXCXIEK-UHFFFAOYSA-N -1 3 506.628 4.108 1 0 KIAFHM COc1oc(=O)c2cc(NC(=O)[C@@H]([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc3)ccc2c1Cl ZINC000034436040 562038950 /nfs/dbraw/zinc/03/89/50/562038950.db2.gz MYUYYFFJLICXQA-QFIPXVFZSA-N -1 3 512.971 4.422 1 0 KIAFHM COc1oc(=O)c2cc(NC(=O)[C@H]([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc3)ccc2c1Cl ZINC000034436042 562038948 /nfs/dbraw/zinc/03/89/48/562038948.db2.gz MYUYYFFJLICXQA-JOCHJYFZSA-N -1 3 512.971 4.422 1 0 KIAFHM Cc1cc(-c2cc([O-])ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)nc12 ZINC000034621441 562039243 /nfs/dbraw/zinc/03/92/43/562039243.db2.gz NGYGJKWFCRECQN-UHFFFAOYSA-N -1 3 525.034 4.039 1 0 KIAFHM O=C([N-]c1nc2nn(CCCOCc3ccccc3)cc2c2nc(-c3ccco3)nn21)Nc1ccncc1 ZINC000034800777 562040984 /nfs/dbraw/zinc/04/09/84/562040984.db2.gz XHQMRBIQONBIFX-UHFFFAOYSA-N -1 3 509.530 4.380 1 0 KIAFHM COc1ccc(-n2nc3c([N-]C(=O)C(c4ccccc4)c4ccccc4)nc4c(N)cccc4n3c2=O)cc1 ZINC000034800779 562040986 /nfs/dbraw/zinc/04/09/86/562040986.db2.gz CLKIIDANGTWZHY-UHFFFAOYSA-N -1 3 516.561 4.395 1 0 KIAFHM Cc1cc(-c2cc([O-])ccc2Cl)cc2nnc(Nc3cccc(S(=O)(=O)N4CCN(C)CC4)c3)nc12 ZINC000035975318 562046061 /nfs/dbraw/zinc/04/60/61/562046061.db2.gz RKYAKLHNWRREPV-UHFFFAOYSA-N -1 3 525.034 4.039 1 0 KIAFHM CCNc1ccc([C@H]([N-]S(=O)(=O)c2cnccc2N[C@H](CO)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1 ZINC000036093426 562047204 /nfs/dbraw/zinc/04/72/04/562047204.db2.gz NARAZZSRADOLSU-FIBWVYCGSA-N -1 3 597.757 4.147 1 0 KIAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCC1O[C@@H](C)[C@H](C)O1 ZINC000036248045 562052289 /nfs/dbraw/zinc/05/22/89/562052289.db2.gz WJTKWTNPJRXMJF-BKQQZYNJSA-N -1 3 532.678 4.243 1 0 KIAFHM CN1CCN(C/C=C/c2ccc3c(c2)C[C@H]2CC[C@@H](C3)[C@@H]2[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000038140955 562063198 /nfs/dbraw/zinc/06/31/98/562063198.db2.gz PRHSSTWRJVSBAX-GMCSHBSFSA-N -1 3 506.137 4.134 1 0 KIAFHM O=C(CNC(=O)c1ccc2n[n-]nc2c1)O[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000038143535 562064000 /nfs/dbraw/zinc/06/40/00/562064000.db2.gz IZYOBMDJUAGKKX-NRFANRHFSA-N -1 3 531.878 4.283 1 0 KIAFHM O=C(CNC(=O)c1ccc2n[n-]nc2c1)O[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000038143536 562064025 /nfs/dbraw/zinc/06/40/25/562064025.db2.gz IZYOBMDJUAGKKX-OAQYLSRUSA-N -1 3 531.878 4.283 1 0 KIAFHM CCCCc1c(I)nc(CO)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000038433344 562072063 /nfs/dbraw/zinc/07/20/63/562072063.db2.gz KXXFXGXLCZLTKM-UHFFFAOYSA-N -1 3 514.371 4.218 1 0 KIAFHM CCCCc1c(I)nc(CO)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000038433344 562072061 /nfs/dbraw/zinc/07/20/61/562072061.db2.gz KXXFXGXLCZLTKM-UHFFFAOYSA-N -1 3 514.371 4.218 1 0 KIAFHM CCOc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(Cc4ccccc4)CC3)s2)cc1 ZINC000040875445 562082053 /nfs/dbraw/zinc/08/20/53/562082053.db2.gz BLICXPFZFCNEIS-RUZDIDTESA-N -1 3 514.669 4.458 1 0 KIAFHM O=C(CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1)NC1CCCCC1 ZINC000040913764 562083610 /nfs/dbraw/zinc/08/36/10/562083610.db2.gz IHKWSSASDVEPKY-NRFANRHFSA-N -1 3 518.507 4.318 1 0 KIAFHM O=C(CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1)NC1CCCCC1 ZINC000040913766 562083666 /nfs/dbraw/zinc/08/36/66/562083666.db2.gz IHKWSSASDVEPKY-OAQYLSRUSA-N -1 3 518.507 4.318 1 0 KIAFHM O=C(CCCn1c2ccc(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)[N-]C1=O)N1CCOCC1 ZINC000040940421 562085814 /nfs/dbraw/zinc/08/58/14/562085814.db2.gz QEHQRRBWGWGIBP-UHFFFAOYSA-N -1 3 517.969 4.343 1 0 KIAFHM COc1cc2c(cc1OCCCN1CCOCC1)ncnc2[N-]c1ncc(C(=O)Nc2ccccc2)s1 ZINC000040940466 562085784 /nfs/dbraw/zinc/08/57/84/562085784.db2.gz ROGHHIGHHTZCFT-UHFFFAOYSA-N -1 3 520.615 4.192 1 0 KIAFHM CC[C@@H](C)[C@H](NC(=O)c1cc(Cc2ccc(O)cc2)cc(NC(=O)[C@@H](N)C(C)C)c1)C(=O)NCc1ccccc1C(=O)[O-] ZINC000042805451 562089209 /nfs/dbraw/zinc/08/92/09/562089209.db2.gz BYFLMWCNPHKMKZ-YMUMJAELSA-N -1 3 588.705 4.064 1 0 KIAFHM CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CCN(c4cccc5ccccc54)CC3)ccc1OCC)[n-]c2=O ZINC000042834096 581094979 /nfs/dbraw/zinc/09/49/79/581094979.db2.gz RZQPIOPAKAGCBC-UHFFFAOYSA-N -1 3 586.718 4.339 1 0 KIAFHM COc1c(CCC(C)C)c2ccccc2c([O-])c1C1=NS(=O)(=O)c2cc(NS(C)(=O)=O)ccc2N1 ZINC000043060024 562645150 /nfs/dbraw/zinc/64/51/50/562645150.db2.gz ULKBTXJCZJAZMB-UHFFFAOYSA-N -1 3 517.629 4.075 1 0 KIAFHM COc1cccc([O-])c1C(=O)N1CCC(=CC(=O)N[C@@H]2CCN(Cc3ccc4cc(F)ccc4c3)C2)CC1 ZINC000043062461 562645200 /nfs/dbraw/zinc/64/52/00/562645200.db2.gz POLVMCDWJGUXGJ-RUZDIDTESA-N -1 3 517.601 4.246 1 0 KIAFHM COc1ccc(C(=O)N2CCC(=CC(=O)N[C@@H]3CCN(Cc4ccc5cc(F)ccc5c4)C3)CC2)c([O-])c1 ZINC000043066982 562645434 /nfs/dbraw/zinc/64/54/34/562645434.db2.gz HYNMLEFKVAYGCJ-RUZDIDTESA-N -1 3 517.601 4.246 1 0 KIAFHM O=C(C=C1CCN(C(=O)c2ccc(F)cc2[O-])CC1)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1 ZINC000043120857 562646092 /nfs/dbraw/zinc/64/60/92/562646092.db2.gz CNRGFQVKYSOJGD-RUZDIDTESA-N -1 3 505.565 4.377 1 0 KIAFHM CCN1CCN(c2cccc3c2C(=O)N([C@H](CCC[N-]S(=O)(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 ZINC000043153951 562646472 /nfs/dbraw/zinc/64/64/72/562646472.db2.gz ZCTNRDFMOMOCAX-HSZRJFAPSA-N -1 3 612.774 4.003 1 0 KIAFHM COc1ccc([C@@H](CCC[N-]S(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN(C(C)C)CC4)c3C2=O)cc1OC ZINC000043153953 562646508 /nfs/dbraw/zinc/64/65/08/562646508.db2.gz IFBYVMFECJDESG-XMMPIXPASA-N -1 3 626.801 4.392 1 0 KIAFHM CCOC(=O)/C=C1\NC(=O)[C@@H]1[C@@H](C)OC(=O)c1cc(OCc2ccccc2)c([O-])c(OCc2ccccc2)c1 ZINC000043523932 562648912 /nfs/dbraw/zinc/64/89/12/562648912.db2.gz WJMUWEBGODGZSG-OXHAUKAOSA-N -1 3 531.561 4.289 1 0 KIAFHM COCCNC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(Cl)c(COc2cccc3ccc(C)nc32)c1Cl ZINC000043524260 562648982 /nfs/dbraw/zinc/64/89/82/562648982.db2.gz MDJHPUZDWHVSFR-UHFFFAOYSA-N -1 3 540.469 4.249 1 0 KIAFHM Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)NCCCN4CCN(C)CC4)c3Cl)c2n1 ZINC000043524263 562648997 /nfs/dbraw/zinc/64/89/97/562648997.db2.gz MSZISYOKSODETJ-UHFFFAOYSA-N -1 3 622.619 4.240 1 0 KIAFHM Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)NCCCN4CCOCC4)c3Cl)c2n1 ZINC000043524299 562648964 /nfs/dbraw/zinc/64/89/64/562648964.db2.gz JDDAOYDQCGHILG-UHFFFAOYSA-N -1 3 609.576 4.324 1 0 KIAFHM CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3nc4c(cccc4[O-])[nH]3)[C@H]2SC1 ZINC000043627870 562650312 /nfs/dbraw/zinc/65/03/12/562650312.db2.gz BUWXCTOIVGJPFO-UFHPHHKVSA-N -1 3 570.627 4.114 1 0 KIAFHM CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3nc4c(cccc4[O-])[nH]3)[C@@H]2SC1 ZINC000043627873 562650328 /nfs/dbraw/zinc/65/03/28/562650328.db2.gz BUWXCTOIVGJPFO-YWEHKCAJSA-N -1 3 570.627 4.114 1 0 KIAFHM N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000043648929 562650579 /nfs/dbraw/zinc/65/05/79/562650579.db2.gz OJDXUXAGHXAGNR-FQLXRVMXSA-N -1 3 557.658 4.068 1 0 KIAFHM N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000043648929 562650578 /nfs/dbraw/zinc/65/05/78/562650578.db2.gz OJDXUXAGHXAGNR-FQLXRVMXSA-N -1 3 557.658 4.068 1 0 KIAFHM Cc1c(-c2cccc(OCC(=O)[O-])c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F ZINC000044305346 562653417 /nfs/dbraw/zinc/65/34/17/562653417.db2.gz QLIJLFMWYCAAFM-QFIPXVFZSA-N -1 3 589.517 4.494 1 0 KIAFHM CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc1OCC)[n-]c2=O ZINC000044352154 562655030 /nfs/dbraw/zinc/65/50/30/562655030.db2.gz LKVNINIGUXSVFY-UHFFFAOYSA-N -1 3 604.655 4.205 1 0 KIAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](C[C@@H](C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1cn(C)c2ccccc12 ZINC000044358979 562655403 /nfs/dbraw/zinc/65/54/03/562655403.db2.gz MAEVROIKULJPHU-NTMFSWBNSA-N -1 3 528.738 4.169 1 0 KIAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](C[C@H](C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1cn(C)c2ccccc12 ZINC000044358984 562655438 /nfs/dbraw/zinc/65/54/38/562655438.db2.gz MAEVROIKULJPHU-ZPOKTZCFSA-N -1 3 528.738 4.169 1 0 KIAFHM CC[C@@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1)S(=O)(=O)c1ccc2ncsc2c1 ZINC000044405354 562656659 /nfs/dbraw/zinc/65/66/59/562656659.db2.gz OIOKJSPMDFSKEA-JAMKYWPSSA-N -1 3 567.733 4.441 1 0 KIAFHM O=C(CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1ccccc1)NCc1ccccc1 ZINC000044417027 562657005 /nfs/dbraw/zinc/65/70/05/562657005.db2.gz DBSBLCASTUVZSA-QFIPXVFZSA-N -1 3 534.465 4.053 1 0 KIAFHM O=C(CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1ccccc1)NCc1ccccc1 ZINC000044417031 562657026 /nfs/dbraw/zinc/65/70/26/562657026.db2.gz DBSBLCASTUVZSA-JOCHJYFZSA-N -1 3 534.465 4.053 1 0 KIAFHM O=C(CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccc1)NCc1ccccc1 ZINC000044417861 562657214 /nfs/dbraw/zinc/65/72/14/562657214.db2.gz UEOJTDKWVNWAHF-QHCPKHFHSA-N -1 3 534.465 4.053 1 0 KIAFHM O=C(CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccc1)NCc1ccccc1 ZINC000044417865 562657194 /nfs/dbraw/zinc/65/71/94/562657194.db2.gz UEOJTDKWVNWAHF-HSZRJFAPSA-N -1 3 534.465 4.053 1 0 KIAFHM CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044430575 562657546 /nfs/dbraw/zinc/65/75/46/562657546.db2.gz PURTXMAIRNXPDK-ZKMPZPQNSA-N -1 3 576.115 4.072 1 0 KIAFHM O=C(CCCCCNC(=O)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1)NCCN1CCOCC1 ZINC000045186521 562658183 /nfs/dbraw/zinc/65/81/83/562658183.db2.gz APVSKDUJKGAFCE-UHFFFAOYSA-N -1 3 508.446 4.105 1 0 KIAFHM CCOC(=O)[C@@H]1[C@H](c2cccs2)N[C@H](c2cccs2)C(=C([O-])c2ccc(Cl)cc2)S1(=O)=O ZINC000045299793 562660425 /nfs/dbraw/zinc/66/04/25/562660425.db2.gz LLEMSMCAGYJKDE-JYRKZWEQSA-N -1 3 510.058 4.447 1 0 KIAFHM COc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN3CCCCC3)ccc2[O-])cc1 ZINC000045321985 562661045 /nfs/dbraw/zinc/66/10/45/562661045.db2.gz IUBHYSAOCRCEPJ-MHZLTWQESA-N -1 3 501.627 4.011 1 0 KIAFHM CCC(=O)c1cccc(Nc2ccc3c(c2)C(=CNc2ccc(N4CCN(C)CC4)cc2)C(=O)[N-]C3=O)c1 ZINC000045336338 562661364 /nfs/dbraw/zinc/66/13/64/562661364.db2.gz ABNRWDFBKNMBQO-DIBXZPPDSA-N -1 3 509.610 4.498 1 0 KIAFHM O=C(N[C@@H](Cc1ccccc1)C(=O)NCCN1CCOCC1)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049639255 562667704 /nfs/dbraw/zinc/66/77/04/562667704.db2.gz QXQJZDOHHXFZLJ-VWLOTQADSA-N -1 3 542.463 4.156 1 0 KIAFHM CCOC(=O)[C@@H]1[C@H](c2ccccc2OC)N[C@H](c2ccccc2OC)C(=C([O-])c2ccc(Cl)cc2)S1(=O)=O ZINC000049695012 562670077 /nfs/dbraw/zinc/67/00/77/562670077.db2.gz OXACWKCUDOCMKK-PTJMHOJZSA-N -1 3 558.052 4.341 1 0 KIAFHM CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OC3CCN(C(C)C)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049710800 562671796 /nfs/dbraw/zinc/67/17/96/562671796.db2.gz BXHZXVQXVWMBRV-NDEPHWFRSA-N -1 3 637.778 4.044 1 0 KIAFHM COc1ccc2nccc([C@@H](O)CN3CCC([N-]S(=O)(=O)c4cc(Br)c(Br)s4)CC3)c2c1 ZINC000049723148 562672996 /nfs/dbraw/zinc/67/29/96/562672996.db2.gz WVDOZYDTCXASQV-IBGZPJMESA-N -1 3 605.374 4.306 1 0 KIAFHM CCC[C@@H]([C@@H](CC1CCCCC1)C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)SCCNC(=O)OCC)N([O-])C=O ZINC000049723252 562673116 /nfs/dbraw/zinc/67/31/16/562673116.db2.gz ZVURNIZOCSRARI-BHIFYINESA-N -1 3 599.820 4.427 1 0 KIAFHM CC(C)[C@@H]([C@@H](CC1CCC(C)CC1)C(=O)N[C@@H](CCC(=O)N1CCCCC1)C(=O)Nc1nccs1)N([O-])C=O ZINC000049745009 562673623 /nfs/dbraw/zinc/67/36/23/562673623.db2.gz FRKVGAYRXHHGRN-OSBIAPMOSA-N -1 3 563.765 4.064 1 0 KIAFHM CN(C)c1ccc(C(=O)N2CCC([N-]S(=O)(=O)c3cc(S(=O)(=O)c4ccccc4)ccc3C(F)(F)F)CC2)cc1 ZINC000049745730 562674062 /nfs/dbraw/zinc/67/40/62/562674062.db2.gz SSUGDKOLNYAHSD-UHFFFAOYSA-N -1 3 595.665 4.187 1 0 KIAFHM O=C(c1ccc(N2CCCC2)nc1)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049746208 562674342 /nfs/dbraw/zinc/67/43/42/562674342.db2.gz BJYVJTMJQKDWCY-UHFFFAOYSA-N -1 3 622.691 4.117 1 0 KIAFHM CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC([N-]S(=O)(=O)c3cc(S(=O)(=O)c4ccccc4)ccc3C(F)(F)F)CC2)CC1 ZINC000049746296 562674347 /nfs/dbraw/zinc/67/43/47/562674347.db2.gz KSXYQIJYFSNPEV-UHFFFAOYSA-N -1 3 659.749 4.455 1 0 KIAFHM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OC3CCN(C(C)C)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049756092 562674835 /nfs/dbraw/zinc/67/48/35/562674835.db2.gz YLAYHSANGWAUKI-LJAQVGFWSA-N -1 3 651.805 4.434 1 0 KIAFHM CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCC([N-]S(=O)(=O)c3cc(S(=O)(=O)c4ccccc4)ccc3C(F)(F)F)CC2)C1 ZINC000049762508 562676572 /nfs/dbraw/zinc/67/65/72/562676572.db2.gz HOTXSNGAZNYULY-IBGZPJMESA-N -1 3 645.722 4.065 1 0 KIAFHM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCC([N-]S(=O)(=O)c3cc(S(=O)(=O)c4ccccc4)ccc3C(F)(F)F)CC2)C1 ZINC000049762563 562676606 /nfs/dbraw/zinc/67/66/06/562676606.db2.gz HOTXSNGAZNYULY-LJQANCHMSA-N -1 3 645.722 4.065 1 0 KIAFHM O=C(c1ccc(Cl)nc1)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049767067 562677387 /nfs/dbraw/zinc/67/73/87/562677387.db2.gz PVSIUMMRWKXDQI-UHFFFAOYSA-N -1 3 588.029 4.170 1 0 KIAFHM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049776240 562679279 /nfs/dbraw/zinc/67/92/79/562679279.db2.gz FCXCNDHEICKHMB-HSZRJFAPSA-N -1 3 645.722 4.207 1 0 KIAFHM CCC[C@H]([C@@H](CC1CCC(C)CC1)C(=O)N[C@@H](CCCNc1ncccn1)C(=O)Nc1nccs1)N([O-])C=O ZINC000049780790 562682223 /nfs/dbraw/zinc/68/22/23/562682223.db2.gz LLGFHSDBMCBTMM-STDOTHJFSA-N -1 3 559.737 4.098 1 0 KIAFHM CCC[C@H]([C@H](CC1CCC(C)CC1)C(=O)N[C@@H](CCCNc1ncccn1)C(=O)Nc1nccs1)N([O-])C=O ZINC000049780792 562682249 /nfs/dbraw/zinc/68/22/49/562682249.db2.gz LLGFHSDBMCBTMM-KUADZGEYSA-N -1 3 559.737 4.098 1 0 KIAFHM O=S(=O)([N-][C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@H]2C1)c1ccccn1 ZINC000049781286 562682880 /nfs/dbraw/zinc/68/28/80/562682880.db2.gz FPAIGMFJUGRFIX-NZEOALSQSA-N -1 3 555.024 4.222 1 0 KIAFHM CN[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000049841313 562688228 /nfs/dbraw/zinc/68/82/28/562688228.db2.gz MKRNGVNQJKHLNU-ZYADHFCISA-N -1 3 662.831 4.111 1 0 KIAFHM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049841383 562688313 /nfs/dbraw/zinc/68/83/13/562688313.db2.gz WNOXBWBWUOWWNS-DEOSSOPVSA-N -1 3 643.750 4.235 1 0 KIAFHM CN(C)c1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCC([N-]S(=O)(=O)c3cc(S(=O)(=O)c4ccccc4)ccc3C(F)(F)F)CC2)cc1 ZINC000049850476 562688680 /nfs/dbraw/zinc/68/86/80/562688680.db2.gz IXLRWKPASUYBNA-NDEPHWFRSA-N -1 3 692.782 4.178 1 0 KIAFHM O=C([N-]c1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)Nc1cccc(I)c1 ZINC000049872271 562689906 /nfs/dbraw/zinc/68/99/06/562689906.db2.gz DVZVMTRMOQLIJQ-UHFFFAOYSA-N -1 3 522.306 4.282 1 0 KIAFHM CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)NCCNc3cccc4ccccc43)ccc1OCC)[n-]c2=O ZINC000049881542 562690900 /nfs/dbraw/zinc/69/09/00/562690900.db2.gz AOWHROKFVIBWAN-UHFFFAOYSA-N -1 3 560.680 4.218 1 0 KIAFHM N[C@@H](Cn1c(=O)c(-c2ccc(COCC(=O)[O-])cc2)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000049889005 562691717 /nfs/dbraw/zinc/69/17/17/562691717.db2.gz VNZZTXDBRSOFHQ-VWLOTQADSA-N -1 3 571.527 4.184 1 0 KIAFHM O=C([C@@H]1CCCN1C(=O)C1CCCCC1)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049898598 562692677 /nfs/dbraw/zinc/69/26/77/562692677.db2.gz UEYJJECWJGJDKU-SANMLTNESA-N -1 3 655.761 4.379 1 0 KIAFHM O=C(c1ccccc1)N1CCC[C@H]1C(=O)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049899454 562693141 /nfs/dbraw/zinc/69/31/41/562693141.db2.gz LXMVIRZQJKZCNH-SANMLTNESA-N -1 3 649.713 4.112 1 0 KIAFHM O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049899460 562693150 /nfs/dbraw/zinc/69/31/50/562693150.db2.gz SGJFKFRGJLVMQE-MHZLTWQESA-N -1 3 635.730 4.472 1 0 KIAFHM O=C(NCCN1CCOCC1)c1ccc(CNC(=O)c2ccc([O-])c(-c3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000049917995 562694236 /nfs/dbraw/zinc/69/42/36/562694236.db2.gz CHPRWWGHQJDCNU-UHFFFAOYSA-N -1 3 528.436 4.358 1 0 KIAFHM Cc1ccccc1-n1c(Cn2nc(-c3cc([O-])cc(F)c3)c3c2ncnc3N)nc2cccc(C)c2c1=O ZINC000051768787 562695835 /nfs/dbraw/zinc/69/58/35/562695835.db2.gz AUNMZFMPIXHYCD-UHFFFAOYSA-N -1 3 507.529 4.284 1 0 in-vitro KIAFHM COc1ccccc1OC[C@H]1SCCN1C(=O)CNc1cc(Br)cc(Br)c1[O-] ZINC000053023047 562696148 /nfs/dbraw/zinc/69/61/48/562696148.db2.gz BFQHBEIQOKZMDI-GOSISDBHSA-N -1 3 532.254 4.318 1 0 KIAFHM COc1ccccc1OC[C@@H]1SCCN1C(=O)CNc1cc(Br)cc(Br)c1[O-] ZINC000053023049 562696124 /nfs/dbraw/zinc/69/61/24/562696124.db2.gz BFQHBEIQOKZMDI-SFHVURJKSA-N -1 3 532.254 4.318 1 0 KIAFHM CC(C)CC[C@@]1(C)CN(Cc2ccc(F)cc2)C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O ZINC000053122830 562696238 /nfs/dbraw/zinc/69/62/38/562696238.db2.gz WSXZHIOUGMLVCS-SANMLTNESA-N -1 3 578.688 4.007 1 0 KIAFHM CCN1CCN(c2cccc3c2CN([C@@H](CCC[N-]S(=O)(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 ZINC000053146548 562696326 /nfs/dbraw/zinc/69/63/26/562696326.db2.gz MWCLCGKVMLYVJI-VWLOTQADSA-N -1 3 598.791 4.363 1 0 KIAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3C4CCC(CC4)[C@@H]3N(Cc3cccc(C(F)(F)F)c3)C1=O)[N-]2 ZINC000053204577 562696459 /nfs/dbraw/zinc/69/64/59/562696459.db2.gz NYSVUWPBTLZNHA-PXQYLUNASA-N -1 3 624.663 4.249 1 0 KIAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3C4CCC(CC4)[C@@H]3N(Cc3ccc(F)cc3Cl)C1=O)[N-]2 ZINC000053239291 562696729 /nfs/dbraw/zinc/69/67/29/562696729.db2.gz HRPIWJMERIOSPC-OAKDCAPRSA-N -1 3 609.101 4.023 1 0 KIAFHM CCC[C@H]([C@@H](CC1CCC(C)CC1)C(=O)N[C@H](CCCNc1ncccn1)C(=O)Nc1nccs1)N([O-])C=O ZINC000058523796 562698559 /nfs/dbraw/zinc/69/85/59/562698559.db2.gz LLGFHSDBMCBTMM-FDTLVRFQSA-N -1 3 559.737 4.098 1 0 KIAFHM CN(C)CCCc1c(C=C2c3cc([N-]S(=O)(=O)c4ccccc4)ccc3NC2=O)[nH]c2c1C(=O)CCC2 ZINC000058581199 562699756 /nfs/dbraw/zinc/69/97/56/562699756.db2.gz VMUAYDSPKYLLJV-XLNRJJMWSA-N -1 3 518.639 4.321 1 0 KIAFHM COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cccc(-c5csc(C)n5)c4)cc3)NC(=O)[N-]C1=O)C2 ZINC000058583137 562700030 /nfs/dbraw/zinc/70/00/30/562700030.db2.gz SSTRFTZNDZPMLC-LJAQVGFWSA-N -1 3 524.602 4.485 1 0 KIAFHM CC(C)CC1=C([O-])N(COC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)S(=O)(=O)N1C ZINC000058591451 562700435 /nfs/dbraw/zinc/70/04/35/562700435.db2.gz GEWXMYBCLPEJAY-IBGZPJMESA-N -1 3 514.431 4.214 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(Cc2ccccc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326408 562702658 /nfs/dbraw/zinc/70/26/58/562702658.db2.gz JOLQWVUABOYHJX-IBGZPJMESA-N -1 3 593.647 4.353 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(Cc2ccccc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326409 562702683 /nfs/dbraw/zinc/70/26/83/562702683.db2.gz JOLQWVUABOYHJX-LJQANCHMSA-N -1 3 593.647 4.353 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326572 562702662 /nfs/dbraw/zinc/70/26/62/562702662.db2.gz KUJQUHGRGKKEPO-AWEZNQCLSA-N -1 3 502.534 4.021 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326573 562702670 /nfs/dbraw/zinc/70/26/70/562702670.db2.gz KUJQUHGRGKKEPO-CQSZACIVSA-N -1 3 502.534 4.021 1 0 KIAFHM CCCCOc1nc(C(F)(F)Cl)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060327131 562702719 /nfs/dbraw/zinc/70/27/19/562702719.db2.gz LJTWPGNEUJLDBK-ZDUSSCGKSA-N -1 3 507.962 4.479 1 0 KIAFHM CCCCOc1nc(C(F)(F)Cl)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060327132 562702691 /nfs/dbraw/zinc/70/26/91/562702691.db2.gz LJTWPGNEUJLDBK-CYBMUJFWSA-N -1 3 507.962 4.479 1 0 KIAFHM CC(C)COc1nc(C(F)(F)Cl)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060327662 562702783 /nfs/dbraw/zinc/70/27/83/562702783.db2.gz TXEHFIPHYRSSEK-ZDUSSCGKSA-N -1 3 507.962 4.335 1 0 KIAFHM CC(C)COc1nc(C(F)(F)Cl)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060327663 562702795 /nfs/dbraw/zinc/70/27/95/562702795.db2.gz TXEHFIPHYRSSEK-CYBMUJFWSA-N -1 3 507.962 4.335 1 0 KIAFHM CCOC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000060327909 562702789 /nfs/dbraw/zinc/70/27/89/562702789.db2.gz RJDFKPKPDCHQJB-HNNXBMFYSA-N -1 3 546.587 4.036 1 0 KIAFHM CCOC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000060327910 562702776 /nfs/dbraw/zinc/70/27/76/562702776.db2.gz RJDFKPKPDCHQJB-OAHLLOKOSA-N -1 3 546.587 4.036 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccc(NS(C)(=O)=O)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060328412 562702816 /nfs/dbraw/zinc/70/28/16/562702816.db2.gz OPGWRANPFLDQTE-AWEZNQCLSA-N -1 3 588.605 4.069 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccc(NS(C)(=O)=O)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060328413 562702834 /nfs/dbraw/zinc/70/28/34/562702834.db2.gz OPGWRANPFLDQTE-CQSZACIVSA-N -1 3 588.605 4.069 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC[C@@H]1CC1(C)C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060328611 562702801 /nfs/dbraw/zinc/70/28/01/562702801.db2.gz NZLARNLWBQZCIY-BBRMVZONSA-N -1 3 517.545 4.456 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC[C@@H]1CC1(C)C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060328612 562702836 /nfs/dbraw/zinc/70/28/36/562702836.db2.gz NZLARNLWBQZCIY-CJNGLKHVSA-N -1 3 517.545 4.456 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC[C@H]1CC1(C)C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060328613 562702808 /nfs/dbraw/zinc/70/28/08/562702808.db2.gz NZLARNLWBQZCIY-XJKSGUPXSA-N -1 3 517.545 4.456 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC[C@H]1CC1(C)C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060328614 562702838 /nfs/dbraw/zinc/70/28/38/562702838.db2.gz NZLARNLWBQZCIY-CZUORRHYSA-N -1 3 517.545 4.456 1 0 KIAFHM C[C@H](C(=O)NCCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060328615 562702823 /nfs/dbraw/zinc/70/28/23/562702823.db2.gz TXOGTKOWCWPPTM-INIZCTEOSA-N -1 3 530.588 4.310 1 0 KIAFHM C[C@@H](C(=O)NCCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060328616 562702832 /nfs/dbraw/zinc/70/28/32/562702832.db2.gz TXOGTKOWCWPPTM-MRXNPFEDSA-N -1 3 530.588 4.310 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060328840 562702828 /nfs/dbraw/zinc/70/28/28/562702828.db2.gz ZBCNEJFPFPEMEX-HNNXBMFYSA-N -1 3 516.561 4.267 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060328841 562702797 /nfs/dbraw/zinc/70/27/97/562702797.db2.gz ZBCNEJFPFPEMEX-OAHLLOKOSA-N -1 3 516.561 4.267 1 0 KIAFHM CC(C)(Cc1cccc(CC(=O)NCc2ccc3cc(O)ccc3c2)c1)[NH2+]C[C@H](O)c1ccc([O-])c([N-]S(C)(=O)=O)c1 ZINC000064490695 562705914 /nfs/dbraw/zinc/70/59/14/562705914.db2.gz FJTDUQZQFNOEFI-PMERELPUSA-N -1 3 591.730 4.126 1 0 KIAFHM COc1ccc([N-]S(=O)(=O)c2ccc(-c3ncc(-c4ccc(N(C)C)cc4)o3)cc2)cc1N1CCNCC1 ZINC000064528163 562707254 /nfs/dbraw/zinc/70/72/54/562707254.db2.gz LECBWQAIQHJLQW-UHFFFAOYSA-N -1 3 533.654 4.294 1 0 KIAFHM CS(=O)(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[n-]1 ZINC000064540622 562707785 /nfs/dbraw/zinc/70/77/85/562707785.db2.gz MFPJICKVUSICOY-NSOVKSMOSA-N -1 3 600.697 4.079 1 0 KIAFHM C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(OCc2ccc(Cl)cc2Cl)CC1)N([O-])C=O)c1ncc(F)cn1 ZINC000064744198 562709141 /nfs/dbraw/zinc/70/91/41/562709141.db2.gz YSYXAGMNRKARQB-HJPURHCSSA-N -1 3 563.479 4.033 1 0 in-vitro KIAFHM Cc1ccc(C)c(CCC2CCN(S(=O)(=O)C[C@](C)(C[C@H](C)c3ncc(F)cn3)N([O-])C=O)CC2)c1 ZINC000066074978 562709957 /nfs/dbraw/zinc/70/99/57/562709957.db2.gz NYJKRUFCTNREQN-LVXARBLLSA-N -1 3 520.671 4.007 1 0 KIAFHM O=C([O-])c1ccc(CN(C[C@@H]2C[C@@H](F)CN2)C(=O)c2ccc(-c3cnc4ccc(NCC5CC5)nn43)cc2)cc1 ZINC000066076876 562710233 /nfs/dbraw/zinc/71/02/33/562710233.db2.gz PYOVWPKZQQGVMZ-RPBOFIJWSA-N -1 3 542.615 4.259 1 0 KIAFHM C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ncc(C(F)(F)F)cc2Cl)CC1)N([O-])C=O)c1ncc(F)cn1 ZINC000066077844 562710311 /nfs/dbraw/zinc/71/03/11/562710311.db2.gz WTIUPHRWVGHPRH-HJPURHCSSA-N -1 3 596.047 4.457 1 0 KIAFHM Cc1cc(C(F)(F)F)cnc1CCC1CCN(S(=O)(=O)C[C@](C)(C[C@H](C)c2ncc(F)cn2)N([O-])C=O)CC1 ZINC000066078484 562710432 /nfs/dbraw/zinc/71/04/32/562710432.db2.gz SVXOKXGEZUGFFS-UUOWRZLLSA-N -1 3 575.629 4.112 1 0 KIAFHM CN1CCN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc([O-])c(Cl)c3)CC4)c(Cl)cn2)CC1 ZINC000066079112 562710562 /nfs/dbraw/zinc/71/05/62/562710562.db2.gz VEROCBVJOISPBA-UHFFFAOYSA-N -1 3 592.487 4.148 1 0 KIAFHM C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(F)cc2Br)CC1)N([O-])C=O)c1ncc(F)cn1 ZINC000066079284 562710596 /nfs/dbraw/zinc/71/05/96/562710596.db2.gz AFXZHRNVMMQHOL-XDHUDOTRSA-N -1 3 589.503 4.292 1 0 KIAFHM C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2cc(F)ccc2Cl)CC1)N([O-])C=O)c1ncc(F)cn1 ZINC000066079901 562710700 /nfs/dbraw/zinc/71/07/00/562710700.db2.gz JAPLGNWCNXCEJT-XDHUDOTRSA-N -1 3 545.052 4.183 1 0 KIAFHM Cc1cc(Cl)ccc1CCC1CCN(S(=O)(=O)C[C@](C)(C[C@H](C)c2ncc(F)cn2)N([O-])C=O)CC1 ZINC000066080310 562710729 /nfs/dbraw/zinc/71/07/29/562710729.db2.gz UDTXDKDGZMYOBK-DFBJGRDBSA-N -1 3 541.089 4.352 1 0 KIAFHM CN1CCN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(Cl)c([O-])c3)CC4)c(Cl)cn2)CC1 ZINC000066098157 562710888 /nfs/dbraw/zinc/71/08/88/562710888.db2.gz KZGCOQDKUAUUHD-UHFFFAOYSA-N -1 3 592.487 4.148 1 0 KIAFHM COc1cc2c(c(OC)c1)[C@]1(O)[C@@H]([N-]S(C)(=O)=O)C[C@@H](c3ccccc3)[C@]1(c1ccc(Br)cc1)O2 ZINC000066100227 562711255 /nfs/dbraw/zinc/71/12/55/562711255.db2.gz IROHDYRPRAKBKN-JWWGNVLFSA-N -1 3 560.466 4.047 1 0 KIAFHM CC(=O)OC[C@H]1O[C@H](OCCCCCOc2cc([O-])c3c(c2)occ(-c2ccc(O)cc2)c3=O)C=C[C@@H]1OC(C)=O ZINC000066259816 562715373 /nfs/dbraw/zinc/71/53/73/562715373.db2.gz BCCXZJUNQBVDIH-ITHJLQSDSA-N -1 3 568.575 4.213 1 0 KIAFHM CC[C@H](C)[C@H](N)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccccc1 ZINC000072106225 562720948 /nfs/dbraw/zinc/72/09/48/562720948.db2.gz ZYDVHLGVBFOHDS-OICBGKIFSA-N -1 3 517.626 4.393 1 0 KIAFHM CSCC[C@H](N)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccccc1 ZINC000072116619 562723141 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562723450 /nfs/dbraw/zinc/72/34/50/562723450.db2.gz RVFHFIDNQMDFQP-AHWVRZQESA-N -1 3 517.626 4.393 1 0 KIAFHM C[C@H](N)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccc(Cl)cc1 ZINC000072118344 562723505 /nfs/dbraw/zinc/72/35/05/562723505.db2.gz DWZIGITXLKWGNL-SBUREZEXSA-N -1 3 509.990 4.021 1 0 KIAFHM N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccccc1 ZINC000072119877 562723922 /nfs/dbraw/zinc/72/39/22/562723922.db2.gz VSEQMRBYWRBDGN-YTMVLYRLSA-N -1 3 567.642 4.296 1 0 KIAFHM COc1c(I)cc(-c2oc3c(OC)c(OC)c(OC)c([O-])c3c(=O)c2OC)cc1I ZINC000072126787 562725402 /nfs/dbraw/zinc/72/54/02/562725402.db2.gz BUOUHXHGTKQGEB-UHFFFAOYSA-N -1 3 640.164 4.418 1 0 KIAFHM COc1c(I)cc(-c2oc3c(OC)c(OC)c(OC)c(=O)c-3c([O-])c2OC)cc1I ZINC000072126787 562725401 /nfs/dbraw/zinc/72/54/01/562725401.db2.gz BUOUHXHGTKQGEB-UHFFFAOYSA-N -1 3 640.164 4.418 1 0 KIAFHM CC[C@H](C)[C@H](N)C(=O)N1[C@H]2Nc3ccccc3[C@@]2(C/C=C(\C)CCC=C(C)C)C[C@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000072173237 562730858 /nfs/dbraw/zinc/73/08/58/562730858.db2.gz CDOUMCHSQCCPSI-ZOUKXFKGSA-N -1 3 524.706 4.322 1 0 KIAFHM CC(C)=CCC/C(C)=C/C[C@]12C[C@@H](C(=O)N[C@@H](C)C(=O)[O-])N(C(=O)[C@@H](N)CC(C)C)[C@H]1Nc1ccccc12 ZINC000072173368 562730969 /nfs/dbraw/zinc/73/09/69/562730969.db2.gz XJJTUPHPAWOHPB-REXOQZSESA-N -1 3 524.706 4.322 1 0 KIAFHM COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4[N-]C(=O)C(F)(F)F)n3)cc2CC1 ZINC000072174829 562731180 /nfs/dbraw/zinc/73/11/80/562731180.db2.gz CTOIWJDYNIQZEG-NHCUHLMSSA-N -1 3 541.018 4.322 1 0 KIAFHM COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4[N-]S(=O)(=O)CC(F)(F)F)n3)cc2CC1 ZINC000072174972 562731211 /nfs/dbraw/zinc/73/12/11/562731211.db2.gz WHUMNDGRLJYAMI-FGZHOGPDSA-N -1 3 591.100 4.125 1 0 KIAFHM Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3cc(NC(=O)c4ccc(N5CCN(C)CC5)cc4)n[nH]3)c2)c1 ZINC000072178155 562731985 /nfs/dbraw/zinc/73/19/85/562731985.db2.gz JWZRVKDTKFYYDV-UHFFFAOYSA-N -1 3 530.654 4.190 1 0 KIAFHM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cc(NC(=O)c4ccc(N5CCN(C)CC5)cc4)n[nH]3)c2)cc1 ZINC000072178156 562731992 /nfs/dbraw/zinc/73/19/92/562731992.db2.gz VVCHAUHKIVIULZ-UHFFFAOYSA-N -1 3 530.654 4.190 1 0 KIAFHM O=C(Nc1ccc(N2CCOCC2)cc1)c1cn(Cc2ccc(OC(F)(F)F)cc2)c2ccc(=O)[n-]c2c1=O ZINC000073138950 562733444 /nfs/dbraw/zinc/73/34/44/562733444.db2.gz FFCTZEHFYVECFH-UHFFFAOYSA-N -1 3 540.498 4.138 1 0 KIAFHM COc1cc(NC(=O)c2cn(Cc3ccccc3Br)c3ccc(=O)[n-]c3c2=O)cc(OC)c1OC ZINC000073140919 562733657 /nfs/dbraw/zinc/73/36/57/562733657.db2.gz HGMMMFSRPZKZDL-UHFFFAOYSA-N -1 3 540.370 4.191 1 0 KIAFHM COc1cc(NC(=O)c2cn(Cc3ccc(F)cc3Cl)c3ccc(=O)[n-]c3c2=O)cc(OC)c1OC ZINC000073140921 562733652 /nfs/dbraw/zinc/73/36/52/562733652.db2.gz RBXQRLLQILSJTD-UHFFFAOYSA-N -1 3 513.909 4.221 1 0 KIAFHM COc1cc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[n-]c3c2=O)cc(OC)c1OC ZINC000073141368 562733729 /nfs/dbraw/zinc/73/37/29/562733729.db2.gz OXBXSLUEODNRHJ-UHFFFAOYSA-N -1 3 513.909 4.221 1 0 KIAFHM N[C@@H](CC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21)C(=O)[O-] ZINC000073142172 562733764 /nfs/dbraw/zinc/73/37/64/562733764.db2.gz UYSZRALYBIFTBO-HNNXBMFYSA-N -1 3 514.382 4.132 1 0 KIAFHM O=C(NCc1ccncc1)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[n-]c3c2=O)cc1 ZINC000073157782 562733892 /nfs/dbraw/zinc/73/38/92/562733892.db2.gz KSQCYRVHZWATJR-UHFFFAOYSA-N -1 3 541.514 4.006 1 0 KIAFHM O=C(Nc1ccc(N2CCOCC2)cc1)c1cn(Cc2ccccc2C(F)(F)F)c2ccc(=O)[n-]c2c1=O ZINC000073161730 562734128 /nfs/dbraw/zinc/73/41/28/562734128.db2.gz BAAPYFXUHMKKPB-UHFFFAOYSA-N -1 3 524.499 4.258 1 0 KIAFHM O=C(Nc1ccc(N2CCOCC2)cc1)c1cn(Cc2c(F)cccc2Cl)c2ccc(=O)[n-]c2c1=O ZINC000073161739 562734160 /nfs/dbraw/zinc/73/41/60/562734160.db2.gz MSQQXQFZLXSONK-UHFFFAOYSA-N -1 3 508.937 4.032 1 0 KIAFHM O=S(=O)([N-]c1cc(-c2ccc3ncc(NCCN4CCOCC4)nc3c2)cnc1Cl)c1ccc(F)cc1 ZINC000073168176 562734669 /nfs/dbraw/zinc/73/46/69/562734669.db2.gz DDYGLALBILACTA-UHFFFAOYSA-N -1 3 543.024 4.029 1 0 KIAFHM COCCN(C)c1cnc2ccc(-c3cnc(Cl)c([N-]S(=O)(=O)c4ccc(F)cc4)c3)cc2n1 ZINC000073195945 562734984 /nfs/dbraw/zinc/73/49/84/562734984.db2.gz FUCFMCKCHUSEOG-UHFFFAOYSA-N -1 3 501.971 4.368 1 0 KIAFHM COc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)cc1 ZINC000073196807 562735211 /nfs/dbraw/zinc/73/52/11/562735211.db2.gz SQTIAXOMFTYLLF-UHFFFAOYSA-N -1 3 502.571 4.040 1 0 KIAFHM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)cc1 ZINC000073196808 562735225 /nfs/dbraw/zinc/73/52/25/562735225.db2.gz FLRITYWVZHMTPW-UHFFFAOYSA-N -1 3 502.571 4.040 1 0 KIAFHM CCCCc1nc(C)c(CCC(=O)N2C[C@@H](C)O[C@@H](C)C2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000073277668 562737372 /nfs/dbraw/zinc/73/73/72/562737372.db2.gz UCPJSEUJNJFDQR-SZPZYZBQSA-N -1 3 569.710 4.358 1 0 KIAFHM CCCCc1nc(C)c(CCC(=O)N2C[C@@H](C)O[C@@H](C)C2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000073277668 562737371 /nfs/dbraw/zinc/73/73/71/562737371.db2.gz UCPJSEUJNJFDQR-SZPZYZBQSA-N -1 3 569.710 4.358 1 0 KIAFHM 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557.724 4.298 1 0 KIAFHM CCCCc1nc(C)c(CCC(=O)N2CCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000073292686 562737545 /nfs/dbraw/zinc/73/75/45/562737545.db2.gz XOGWIMHFCUNINQ-UHFFFAOYSA-N -1 3 525.657 4.345 1 0 KIAFHM CCCCc1nc(C)c(CCC(=O)N2CCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000073292686 562737544 /nfs/dbraw/zinc/73/75/44/562737544.db2.gz XOGWIMHFCUNINQ-UHFFFAOYSA-N -1 3 525.657 4.345 1 0 KIAFHM O=C(N[C@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc([O-])cc1)Cc1ccccc1)c1ccccc1 ZINC000073294749 562737633 /nfs/dbraw/zinc/73/76/33/562737633.db2.gz OQEMUSFUTGGNTL-YTMVLYRLSA-N -1 3 522.601 4.318 1 0 KIAFHM O=C(N[C@@H](COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc([O-])cc1)Cc1ccccc1)c1ccccc1 ZINC000073294751 562737631 /nfs/dbraw/zinc/73/76/31/562737631.db2.gz OQEMUSFUTGGNTL-XRKRLSELSA-N -1 3 522.601 4.318 1 0 KIAFHM O=C(N[C@@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc([O-])cc1)Cc1ccccc1)c1ccccc1 ZINC000073310744 562737830 /nfs/dbraw/zinc/73/78/30/562737830.db2.gz OQEMUSFUTGGNTL-PXJZQJOASA-N -1 3 522.601 4.318 1 0 KIAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c([N-]S(C)(=O)=O)cccc2C1=O ZINC000073312239 562737934 /nfs/dbraw/zinc/73/79/34/562737934.db2.gz CUGBMLDXYRWSMY-PFPZSTESSA-N -1 3 567.708 4.203 1 0 KIAFHM O=C(N[C@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1[O-])Cc1ccccc1)c1ccccc1 ZINC000073314470 562738004 /nfs/dbraw/zinc/73/80/04/562738004.db2.gz UONGEEYFLAMFBU-XCZPVHLTSA-N -1 3 522.601 4.318 1 0 KIAFHM O=C(N[C@@H](COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1)Cc1ccccc1)c1ccccc1 ZINC000073314762 562738006 /nfs/dbraw/zinc/73/80/06/562738006.db2.gz JWWGQXCUTOROSQ-XRKRLSELSA-N -1 3 522.601 4.318 1 0 KIAFHM O=C(N[C@H](Cc1ccccc1)C(=O)OC[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1cccc([O-])c1 ZINC000073314763 562738032 /nfs/dbraw/zinc/73/80/32/562738032.db2.gz JWWGQXCUTOROSQ-LMSSTIIKSA-N -1 3 522.601 4.318 1 0 KIAFHM O=C(N[C@@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1)Cc1ccccc1)c1ccccc1 ZINC000073314768 562738019 /nfs/dbraw/zinc/73/80/19/562738019.db2.gz JWWGQXCUTOROSQ-PXJZQJOASA-N -1 3 522.601 4.318 1 0 KIAFHM O=C(N[C@@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1[O-])Cc1ccccc1)c1ccccc1 ZINC000073315070 562738035 /nfs/dbraw/zinc/73/80/35/562738035.db2.gz UONGEEYFLAMFBU-IAPPQJPRSA-N -1 3 522.601 4.318 1 0 KIAFHM O=C(N[C@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1)Cc1ccccc1)c1ccccc1 ZINC000073315072 562738025 /nfs/dbraw/zinc/73/80/25/562738025.db2.gz JWWGQXCUTOROSQ-YTMVLYRLSA-N -1 3 522.601 4.318 1 0 KIAFHM O=C(N[C@@H](COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1[O-])Cc1ccccc1)c1ccccc1 ZINC000073315435 562738074 /nfs/dbraw/zinc/73/80/74/562738074.db2.gz UONGEEYFLAMFBU-IXCJQBJRSA-N -1 3 522.601 4.318 1 0 KIAFHM O=C(N[C@H](Cc1ccccc1)C(=O)OC[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccccc1[O-] ZINC000073315438 562738067 /nfs/dbraw/zinc/73/80/67/562738067.db2.gz UONGEEYFLAMFBU-XTEPFMGCSA-N -1 3 522.601 4.318 1 0 KIAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c([N-]S(C)(=O)=O)cccc2C1=O ZINC000073332024 562738144 /nfs/dbraw/zinc/73/81/44/562738144.db2.gz CUGBMLDXYRWSMY-RXYILKCJSA-N -1 3 567.708 4.203 1 0 KIAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c([N-]S(C)(=O)=O)cccc2C1=O ZINC000073370495 562738418 /nfs/dbraw/zinc/73/84/18/562738418.db2.gz CUGBMLDXYRWSMY-VPYPWEPUSA-N -1 3 567.708 4.203 1 0 KIAFHM COC(=O)c1cc(OC)c2c(c1-c1c3c(c(OC)cc1C(=O)Oc1ccc(C=C4SC(=O)[N-]C4=O)cc1F)OCO3)OCO2 ZINC000082138095 562739176 /nfs/dbraw/zinc/73/91/76/562739176.db2.gz INPDYGXONLCBGO-GXHLCREISA-N -1 3 625.539 4.297 1 0 KIAFHM CCCCc1nc(C)c(CC(=O)N(CC)CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000082156430 562740676 /nfs/dbraw/zinc/74/06/76/562740676.db2.gz RWHILJQTSSZOLR-UHFFFAOYSA-N -1 3 513.646 4.201 1 0 KIAFHM CCCCc1nc(C)c(CC(=O)N(CC)CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000082156430 562740675 /nfs/dbraw/zinc/74/06/75/562740675.db2.gz RWHILJQTSSZOLR-UHFFFAOYSA-N -1 3 513.646 4.201 1 0 KIAFHM COc1cc([C@@H]2c3cc4c(cc3[C@@H]([N-]S(=O)(=O)c3ccc(Br)s3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000082182051 562742023 /nfs/dbraw/zinc/74/20/23/562742023.db2.gz YCXNOVIXRIGKCZ-XKXDIVCFSA-N -1 3 638.514 4.219 1 0 KIAFHM COc1cc([C@@H]2c3cc4c(cc3[C@@H]([N-]S(=O)(=O)c3ccc(S(=O)(=O)c5ccccc5)s3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000082182155 562742105 /nfs/dbraw/zinc/74/21/05/562742105.db2.gz MCHHCDKZICRYOP-JEFBXYLFSA-N -1 3 699.781 4.290 1 0 KIAFHM Cc1ccc(S(=O)(=O)NN=c2c(C)c(C3=NS(=O)(=O)c4cc(S(N)(=O)=O)c(Cl)cc4[N-]3)oc3c(Cl)cc(Cl)cc32)cc1 ZINC000082185204 562742264 /nfs/dbraw/zinc/74/22/64/562742264.db2.gz SXDWGDXPHLJPKT-MWAVMZGNSA-N -1 3 690.996 4.012 1 0 KIAFHM COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c([N-]S(C)(=O)=O)c2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000084541435 562743281 /nfs/dbraw/zinc/74/32/81/562743281.db2.gz FONNZOZMHZFHAD-ZCYQVOJMSA-N -1 3 568.479 4.256 1 0 KIAFHM Cc1cn2c(-c3cnn(CC(=O)NCc4cccnc4)c3)cnc2c([N-]c2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084586686 562743395 /nfs/dbraw/zinc/74/33/95/562743395.db2.gz PSRQKGSEEYKFMK-IBGZPJMESA-N -1 3 556.700 4.045 1 0 KIAFHM Cc1cn2c(-c3cnn(CC(=O)NCc4cccnc4)c3)cnc2c([N-]c2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084586689 562743436 /nfs/dbraw/zinc/74/34/36/562743436.db2.gz PSRQKGSEEYKFMK-LJQANCHMSA-N -1 3 556.700 4.045 1 0 KIAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4ccccn4)c3)cnc2c([N-]c2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084603731 562744199 /nfs/dbraw/zinc/74/41/99/562744199.db2.gz SLNKOWIAWCBJGZ-SFHVURJKSA-N -1 3 542.673 4.367 1 0 KIAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4ccccn4)c3)cnc2c([N-]c2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084603733 562744210 /nfs/dbraw/zinc/74/42/10/562744210.db2.gz SLNKOWIAWCBJGZ-GOSISDBHSA-N -1 3 542.673 4.367 1 0 KIAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4cccnc4)c3)cnc2c([N-]c2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084615920 562744519 /nfs/dbraw/zinc/74/45/19/562744519.db2.gz JISRCHCXKMPPJP-SFHVURJKSA-N -1 3 542.673 4.367 1 0 KIAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4cccnc4)c3)cnc2c([N-]c2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084615923 562744509 /nfs/dbraw/zinc/74/45/09/562744509.db2.gz JISRCHCXKMPPJP-GOSISDBHSA-N -1 3 542.673 4.367 1 0 KIAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4)c3)cnc2c([N-]c2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084615925 562744505 /nfs/dbraw/zinc/74/45/05/562744505.db2.gz RIQJIFBZCJKJLX-SFHVURJKSA-N -1 3 542.673 4.367 1 0 KIAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4)c3)cnc2c([N-]c2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084615927 562744545 /nfs/dbraw/zinc/74/45/45/562744545.db2.gz RIQJIFBZCJKJLX-GOSISDBHSA-N -1 3 542.673 4.367 1 0 KIAFHM Cc1cn2c(-c3cnn(CC(=O)NCCC(C)C)c3)cnc2c([N-]c2cc(CN3CCCCC3)ns2)n1 ZINC000084616987 562744720 /nfs/dbraw/zinc/74/47/20/562744720.db2.gz IPYDECLHITWSQH-UHFFFAOYSA-N -1 3 521.695 4.250 1 0 KIAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CNc3nc(N4CCN(C)CC4)nc4ccccc43)cc2)cc1 ZINC000084619242 562745219 /nfs/dbraw/zinc/74/52/19/562745219.db2.gz VSTBVWUSFJRDRE-UHFFFAOYSA-N -1 3 502.644 4.103 1 0 KIAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4[O-])c3)cnc2c(Nc2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084619930 562745360 /nfs/dbraw/zinc/74/53/60/562745360.db2.gz LSVRKVVHCSGSCC-KRWDZBQOSA-N -1 3 558.672 4.073 1 0 KIAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4[O-])c3)cnc2c(Nc2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084619932 562745354 /nfs/dbraw/zinc/74/53/54/562745354.db2.gz LSVRKVVHCSGSCC-QGZVFWFLSA-N -1 3 558.672 4.073 1 0 KIAFHM Cc1cn2c(-c3cnn(CC(=O)NCc4ccncc4)c3)cnc2c([N-]c2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084632182 562745510 /nfs/dbraw/zinc/74/55/10/562745510.db2.gz VJOYYECZKLYWBV-IBGZPJMESA-N -1 3 556.700 4.045 1 0 KIAFHM Cc1cn2c(-c3cnn(CC(=O)NCc4ccncc4)c3)cnc2c([N-]c2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084632185 562745476 /nfs/dbraw/zinc/74/54/76/562745476.db2.gz VJOYYECZKLYWBV-LJQANCHMSA-N -1 3 556.700 4.045 1 0 KIAFHM Cc1cn2c(-c3cnn(CC(=O)NCc4ccco4)c3)cnc2c([N-]c2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084632192 562745481 /nfs/dbraw/zinc/74/54/81/562745481.db2.gz WTSZLPJRFYTKQX-SFHVURJKSA-N -1 3 545.673 4.243 1 0 KIAFHM Cc1cn2c(-c3cnn(CC(=O)NCc4ccco4)c3)cnc2c([N-]c2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084632194 562745487 /nfs/dbraw/zinc/74/54/87/562745487.db2.gz WTSZLPJRFYTKQX-GOSISDBHSA-N -1 3 545.673 4.243 1 0 KIAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4nccs4)c3)cnc2c([N-]c2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084632799 562745626 /nfs/dbraw/zinc/74/56/26/562745626.db2.gz YVTUFHUULMAJPN-INIZCTEOSA-N -1 3 548.702 4.428 1 0 KIAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4nccs4)c3)cnc2c([N-]c2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084632802 562745640 /nfs/dbraw/zinc/74/56/40/562745640.db2.gz YVTUFHUULMAJPN-MRXNPFEDSA-N -1 3 548.702 4.428 1 0 KIAFHM CC(C)C[C@H](NC(=O)c1ccc(NC(=O)[C@@H](N)Cc2ccc(O)cc2)c(OCCc2c[nH]c3ccccc23)c1)C(=O)[O-] ZINC000084652495 562746576 /nfs/dbraw/zinc/74/65/76/562746576.db2.gz BIPAPNRFHJPDLN-LSYYVWMOSA-N -1 3 572.662 4.233 1 0 KIAFHM COc1cc(N2C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@]23CCN(Cc2ncccc2C)C[C@H]3C(=O)[O-])ncn1 ZINC000084653148 562746767 /nfs/dbraw/zinc/74/67/67/562746767.db2.gz KKLAEPSPALTSJH-ZOYWYXQUSA-N -1 3 578.629 4.174 1 0 KIAFHM COc1cc(N2C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@]23CCN(Cc2ncccc2C)C[C@H]3C(=O)[O-])ncn1 ZINC000084653149 562746789 /nfs/dbraw/zinc/74/67/89/562746789.db2.gz KKLAEPSPALTSJH-UKJJDJLKSA-N -1 3 578.629 4.174 1 0 KIAFHM CC[C@H](N)C(=O)Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1OCCc1c[nH]c2ccccc12 ZINC000084653236 562746762 /nfs/dbraw/zinc/74/67/62/562746762.db2.gz FTZNKDKTGHYJCP-CUBQBAPOSA-N -1 3 567.646 4.372 1 0 KIAFHM COc1cc([C@@H]2c3cc4c(cc3[C@@H]([N-]c3nnc(-c5ccco5)o3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000084668370 562747532 /nfs/dbraw/zinc/74/75/32/562747532.db2.gz ANMWZCMLQFJPAS-CPUMGYLUSA-N -1 3 547.520 4.172 1 0 KIAFHM O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cc(Br)cc(C(=O)N2COC[C@@H]2c2ccccc2)c1 ZINC000084668643 562747709 /nfs/dbraw/zinc/74/77/09/562747709.db2.gz SHUVKUURHFEQAT-JBOQNHBVSA-N -1 3 696.562 4.141 1 0 KIAFHM O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cc(Br)cc(C(=O)N2COC[C@@H]2c2ccccc2)c1 ZINC000084668643 562747708 /nfs/dbraw/zinc/74/77/08/562747708.db2.gz SHUVKUURHFEQAT-JBOQNHBVSA-N -1 3 696.562 4.141 1 0 KIAFHM Cc1ccc(CC[C@@H](COC(=O)C(C)(C)C)NC(=S)NCc2ccc([N-]S(C)(=O)=O)c(F)c2)cc1C ZINC000084668679 562747684 /nfs/dbraw/zinc/74/76/84/562747684.db2.gz LJSRNRDRHHRZDX-NRFANRHFSA-N -1 3 537.723 4.369 1 0 KIAFHM Cc1ccc(CC[C@H](COC(=O)C(C)(C)C)NC(=S)NCc2ccc([N-]S(C)(=O)=O)c(F)c2)cc1C ZINC000084668680 562747715 /nfs/dbraw/zinc/74/77/15/562747715.db2.gz LJSRNRDRHHRZDX-OAQYLSRUSA-N -1 3 537.723 4.369 1 0 KIAFHM O=C([O-])c1cn(C2CC2)c2c(Cl)c(N3CC[C@@H](NC[C@@](O)(Cn4cncn4)c4ccc(Cl)c(Cl)c4)C3)c(F)cc2c1=O ZINC000084710896 562750558 /nfs/dbraw/zinc/75/05/58/562750558.db2.gz IISOACQVUJOQQI-WVDZOPJMSA-N -1 3 635.911 4.482 1 0 KIAFHM O=C([O-])c1cn(C2CC2)c2c(Cl)c(N3CC[C@@H](NC[C@](O)(Cn4cncn4)c4ccc(Cl)c(Cl)c4)C3)c(F)cc2c1=O ZINC000084710899 562750565 /nfs/dbraw/zinc/75/05/65/562750565.db2.gz IISOACQVUJOQQI-HJWYETAXSA-N -1 3 635.911 4.482 1 0 KIAFHM O=C([O-])c1cn(C2CC2)c2c(Cl)c(N3CC[C@H](NC[C@@](O)(Cn4cncn4)c4ccc(Cl)c(Cl)c4)C3)c(F)cc2c1=O ZINC000084710901 562750587 /nfs/dbraw/zinc/75/05/87/562750587.db2.gz IISOACQVUJOQQI-DEXQXJORSA-N -1 3 635.911 4.482 1 0 KIAFHM O=C([O-])c1cn(C2CC2)c2c(Cl)c(N3CC[C@H](NC[C@](O)(Cn4cncn4)c4ccc(Cl)c(Cl)c4)C3)c(F)cc2c1=O ZINC000084710904 562750567 /nfs/dbraw/zinc/75/05/67/562750567.db2.gz IISOACQVUJOQQI-OLRZCDJHSA-N -1 3 635.911 4.482 1 0 KIAFHM O=C([O-])c1cn(C2CC2)c2c(Cl)c(N3CC[C@@H](NC[C@@](O)(Cn4cncn4)c4ccc(Cl)cc4Cl)C3)c(F)cc2c1=O ZINC000084711757 562750732 /nfs/dbraw/zinc/75/07/32/562750732.db2.gz DXWSNYSAXPWZCT-WVDZOPJMSA-N -1 3 635.911 4.482 1 0 KIAFHM O=C([O-])c1cn(C2CC2)c2c(Cl)c(N3CC[C@@H](NC[C@](O)(Cn4cncn4)c4ccc(Cl)cc4Cl)C3)c(F)cc2c1=O ZINC000084711760 562750728 /nfs/dbraw/zinc/75/07/28/562750728.db2.gz DXWSNYSAXPWZCT-HJWYETAXSA-N -1 3 635.911 4.482 1 0 KIAFHM O=C([O-])c1cn(C2CC2)c2c(Cl)c(N3CC[C@H](NC[C@@](O)(Cn4cncn4)c4ccc(Cl)cc4Cl)C3)c(F)cc2c1=O ZINC000084711762 562750714 /nfs/dbraw/zinc/75/07/14/562750714.db2.gz DXWSNYSAXPWZCT-DEXQXJORSA-N -1 3 635.911 4.482 1 0 KIAFHM O=C([O-])c1cn(C2CC2)c2c(Cl)c(N3CC[C@H](NC[C@](O)(Cn4cncn4)c4ccc(Cl)cc4Cl)C3)c(F)cc2c1=O ZINC000084711765 562750722 /nfs/dbraw/zinc/75/07/22/562750722.db2.gz DXWSNYSAXPWZCT-OLRZCDJHSA-N -1 3 635.911 4.482 1 0 KIAFHM Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1nccc(=O)[n-]1 ZINC000084714615 562750983 /nfs/dbraw/zinc/75/09/83/562750983.db2.gz CXBWIISLEGGOOQ-UHFFFAOYSA-N -1 3 520.593 4.148 1 0 KIAFHM Cc1nc(C)c(-c2ccc(N3C(=O)N(c4cc(=O)[n-]cn4)C4(CCN(Cc5ncccc5C)CC4)C3=O)cc2)s1 ZINC000084722844 562751098 /nfs/dbraw/zinc/75/10/98/562751098.db2.gz MRDYEAJRUPFRFX-UHFFFAOYSA-N -1 3 555.664 4.222 1 0 KIAFHM Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1cc(=O)[n-]cn1 ZINC000084729121 562751509 /nfs/dbraw/zinc/75/15/09/562751509.db2.gz SGDWPIDXMHBDQC-UHFFFAOYSA-N -1 3 520.593 4.148 1 0 KIAFHM C[NH2+]Cc1cccc(Cc2cc(-c3oc4cc([O-])cc(OCCO)c4c(=O)c3O)cc(CC(C)C)c2[O-])c1 ZINC000085569403 560069963 /nfs/dbraw/zinc/06/99/63/560069963.db2.gz DEVOIHLOLUYQPR-UHFFFAOYSA-N -1 3 519.594 4.457 1 0 biogenic,in-vitro KIAFHM COCCc1cc(CC[C@]2(C)Oc3cc4oc([C@H](O)Cc5ccccc5)cc(=O)c4c([O-])c3C[C@H]2O)ccc1N ZINC000085593542 560065207 /nfs/dbraw/zinc/06/52/07/560065207.db2.gz VGJYRWWKGJPOQL-UIMUBZIISA-N -1 3 545.632 4.233 1 0 biogenic,in-vitro KIAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c([C@@H](c3ccnc(N)c3)[C@H](CO)c3cccc(O)c3)c2OC1(C)C ZINC000085595228 565152648 /nfs/dbraw/zinc/15/26/48/565152648.db2.gz ARQGZJDPBHZPQS-RFHJRNFWSA-N -1 3 616.667 4.173 1 0 biogenic,in-vitro KIAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c([C@@H](c3ccnc(N)c3)[C@H](CO)c3cccc(O)c3)c2OC1(C)C ZINC000085595228 565152645 /nfs/dbraw/zinc/15/26/45/565152645.db2.gz ARQGZJDPBHZPQS-RFHJRNFWSA-N -1 3 616.667 4.173 1 0 biogenic,in-vitro KIAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c([C@H](CCCO)c3ccnc(N)c3)c2O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595229 565152826 /nfs/dbraw/zinc/15/28/26/565152826.db2.gz ZLXHNUZKEGJNDL-PSUFGOHRSA-N -1 3 644.725 4.054 1 0 biogenic,in-vitro KIAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c([C@H](CCCO)c3ccnc(N)c3)c2O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595229 565152820 /nfs/dbraw/zinc/15/28/20/565152820.db2.gz ZLXHNUZKEGJNDL-PSUFGOHRSA-N -1 3 644.725 4.054 1 0 biogenic,in-vitro KIAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c(cc3oc(CO)cc([O-])c-3c2=O)O[C@@]1(C)C1(Cc2ccc(N)nc2)CCCC1 ZINC000085595272 560064170 /nfs/dbraw/zinc/06/41/70/560064170.db2.gz MLROTTRHDVMYFB-AZGREXKSSA-N -1 3 534.609 4.343 1 0 biogenic,in-vitro KIAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3cc2O[C@@]1(C)C1(Cc2ccc(N)nc2)CCCC1 ZINC000085595272 560064168 /nfs/dbraw/zinc/06/41/68/560064168.db2.gz MLROTTRHDVMYFB-AZGREXKSSA-N -1 3 534.609 4.343 1 0 biogenic,in-vitro KIAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3cc2O[C@@]1(C)CCc1ccc(NCC)nc1 ZINC000085595278 560064072 /nfs/dbraw/zinc/06/40/72/560064072.db2.gz ZNXHHRGWZDTWCM-ANKFKTQFSA-N -1 3 508.571 4.022 1 0 biogenic,in-vitro KIAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3cc2O[C@@]1(C)CCc1ccc(NCC)nc1 ZINC000085595278 560064071 /nfs/dbraw/zinc/06/40/71/560064071.db2.gz ZNXHHRGWZDTWCM-ANKFKTQFSA-N -1 3 508.571 4.022 1 0 biogenic,in-vitro KIAFHM C/C=C(\C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c(Cc3ccnc(N)c3)c2OC1(C)C)C1CCCC1 ZINC000085595304 560063955 /nfs/dbraw/zinc/06/39/55/560063955.db2.gz CZKUVJRAQQGTRP-QNNVPRFHSA-N -1 3 534.609 4.321 1 0 biogenic,in-vitro KIAFHM C/C=C(\C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c(Cc3ccnc(N)c3)c2OC1(C)C)C1CCCC1 ZINC000085595304 560063953 /nfs/dbraw/zinc/06/39/53/560063953.db2.gz CZKUVJRAQQGTRP-QNNVPRFHSA-N -1 3 534.609 4.321 1 0 biogenic,in-vitro KIAFHM Cc1cccc2nc(Nc3ccc(CC(=O)N[C@H](CCCCNC(=O)C=Cc4cccnc4)C(=O)N[C@H](CCCC(=O)[O-])C(=O)NC4(C(N)=O)CCCCC4)cc3)[nH]c21 ZINC000095543401 562757249 /nfs/dbraw/zinc/75/72/49/562757249.db2.gz CKSROGWQUVNSCH-RQADIEOTSA-N -1 3 807.953 4.081 1 0 KIAFHM O=C(CNC(=O)OCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)COC(=O)c1c(Cl)ccc(S(=O)(=O)[N-]CC(=O)OCc2ccccc2)c1Cl ZINC000095548307 562759243 /nfs/dbraw/zinc/75/92/43/562759243.db2.gz CZJPZQYYUBGTRK-NDEPHWFRSA-N -1 3 770.644 4.395 1 0 KIAFHM O=C(CNC(=O)OCc1ccccc1)N[C@H](Cc1ccccc1)C(=O)COC(=O)c1c(Cl)ccc(S(=O)(=O)[N-]CC(=O)OCc2ccccc2)c1Cl ZINC000095548308 562759265 /nfs/dbraw/zinc/75/92/65/562759265.db2.gz CZJPZQYYUBGTRK-MUUNZHRXSA-N -1 3 770.644 4.395 1 0 KIAFHM O=S(=O)([N-]c1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1)NCc1ccccc1 ZINC000095552225 562760598 /nfs/dbraw/zinc/76/05/98/562760598.db2.gz VIQIKJNRAFJKTQ-UHFFFAOYSA-N -1 3 636.326 4.363 1 0 KIAFHM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000095553083 562760869 /nfs/dbraw/zinc/76/08/69/562760869.db2.gz QAXGZLPJWOSHHV-UHFFFAOYSA-N -1 3 517.413 4.485 1 0 KIAFHM CC(C)(C)c1cc(C(C)(C)C)c2c(c1F)CO[P@@](=O)(O[C@H]1C[C@H](n3cc(I)c(=O)[n-]c3=O)O[C@@H]1CO)O2 ZINC000095558768 562762541 /nfs/dbraw/zinc/76/25/41/562762541.db2.gz GYBZJGHCHWYFMW-QJLZUJJXSA-N -1 3 652.394 4.258 1 0 KIAFHM CC(C)(C)c1cc(C(C)(C)C)c2c(c1F)CO[P@](=O)(O[C@H]1C[C@H](n3cc(I)c(=O)[n-]c3=O)O[C@@H]1CO)O2 ZINC000095558769 562762547 /nfs/dbraw/zinc/76/25/47/562762547.db2.gz GYBZJGHCHWYFMW-XQCGIEGMSA-N -1 3 652.394 4.258 1 0 KIAFHM CC(C)(C)c1cc(C(C)(C)C)c2c(c1F)CO[P@@](=O)(OC[C@H]1O[C@@H](n3cc(I)c(=O)[n-]c3=O)C[C@@H]1O)O2 ZINC000095560861 562763183 /nfs/dbraw/zinc/76/31/83/562763183.db2.gz PHICKMLQKNWAEO-QJLZUJJXSA-N -1 3 652.394 4.258 1 0 KIAFHM CC(C)(C)c1cc(C(C)(C)C)c2c(c1F)CO[P@](=O)(OC[C@H]1O[C@@H](n3cc(I)c(=O)[n-]c3=O)C[C@@H]1O)O2 ZINC000095560862 562763193 /nfs/dbraw/zinc/76/31/93/562763193.db2.gz PHICKMLQKNWAEO-XQCGIEGMSA-N -1 3 652.394 4.258 1 0 KIAFHM O=c1[n-]c(=O)n([C@H]2C[C@H](O[P@@]3(=O)OCc4ccccc4O3)[C@@H](CO[P@@]3(=O)OCc4ccccc4O3)O2)cc1I ZINC000095561133 562763280 /nfs/dbraw/zinc/76/32/80/562763280.db2.gz FWUSREJWGLFKNE-NVXGMNFUSA-N -1 3 690.276 4.265 1 0 KIAFHM O=c1[n-]c(=O)n([C@H]2C[C@H](O[P@@]3(=O)OCc4ccccc4O3)[C@@H](CO[P@]3(=O)OCc4ccccc4O3)O2)cc1I ZINC000095561134 562763257 /nfs/dbraw/zinc/76/32/57/562763257.db2.gz FWUSREJWGLFKNE-FFWPOIJSSA-N -1 3 690.276 4.265 1 0 KIAFHM O=c1[n-]c(=O)n([C@H]2C[C@H](O[P@]3(=O)OCc4ccccc4O3)[C@@H](CO[P@@]3(=O)OCc4ccccc4O3)O2)cc1I ZINC000095561135 562763282 /nfs/dbraw/zinc/76/32/82/562763282.db2.gz FWUSREJWGLFKNE-KYGKBJFBSA-N -1 3 690.276 4.265 1 0 KIAFHM O=c1[n-]c(=O)n([C@H]2C[C@H](O[P@]3(=O)OCc4ccccc4O3)[C@@H](CO[P@]3(=O)OCc4ccccc4O3)O2)cc1I ZINC000095561136 562763251 /nfs/dbraw/zinc/76/32/51/562763251.db2.gz FWUSREJWGLFKNE-CMEDIFTISA-N -1 3 690.276 4.265 1 0 KIAFHM CC[C@H]1OC(=O)C(C)=C([O-])[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](OCc3ccccc3)[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H]2OC(=O)O[C@@]21C ZINC000095564019 562764117 /nfs/dbraw/zinc/76/41/17/562764117.db2.gz KDVKPSPDGPRHSP-UZOBQFSZSA-N -1 3 719.869 4.100 1 0 KIAFHM Cc1csc2nc(Cn3nc(-c4cc([O-])cc(F)c4)c4c3ncnc4N)n(-c3ccccc3C)c(=O)c12 ZINC000095564486 562764327 /nfs/dbraw/zinc/76/43/27/562764327.db2.gz VMYVAQKSGIQKPD-UHFFFAOYSA-N -1 3 513.558 4.346 1 0 KIAFHM COc1ccc(CN(C)C[C@@H]2Oc3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095565615 562764632 /nfs/dbraw/zinc/76/46/32/562764632.db2.gz TZMVARYQISQZLJ-WOGZVKCMSA-N -1 3 616.180 4.430 1 0 KIAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)O2 ZINC000095566569 562765095 /nfs/dbraw/zinc/76/50/95/562765095.db2.gz HGHHOHQGISPNNA-DRGJWEBESA-N -1 3 638.709 4.392 1 0 KIAFHM COc1ccc(CN(C)C[C@H]2Oc3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095567151 562765543 /nfs/dbraw/zinc/76/55/43/562765543.db2.gz TZMVARYQISQZLJ-NPKFRGRUSA-N -1 3 616.180 4.430 1 0 KIAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095567297 562765716 /nfs/dbraw/zinc/76/57/16/562765716.db2.gz MVTKQSXBOABTSJ-QLVXXPONSA-N -1 3 586.154 4.422 1 0 KIAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095567455 562765820 /nfs/dbraw/zinc/76/58/20/562765820.db2.gz ZIASBCWBADXAIG-NCXSOUSFSA-N -1 3 670.637 4.264 1 0 KIAFHM COc1ccc(CN(C)C[C@H]2Oc3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3CC(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095567881 562766114 /nfs/dbraw/zinc/76/61/14/562766114.db2.gz TZMVARYQISQZLJ-MWXNICTNSA-N -1 3 616.180 4.430 1 0 KIAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1ccc(C(=O)Nc3ccccc3N)cc1)O2 ZINC000095568319 562766503 /nfs/dbraw/zinc/76/65/03/562766503.db2.gz RTRJXMRYKBMFBQ-TUSYCDLHSA-N -1 3 690.823 4.279 1 0 KIAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccccc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095568525 562766661 /nfs/dbraw/zinc/76/66/61/562766661.db2.gz MVTKQSXBOABTSJ-SYZUXVNWSA-N -1 3 586.154 4.422 1 0 KIAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095568793 562766877 /nfs/dbraw/zinc/76/68/77/562766877.db2.gz UOVYDIDYNRQEGU-LGVUCKNBSA-N -1 3 572.127 4.493 1 0 KIAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccc(C(=O)Nc3ccccc3N)cc1)O2 ZINC000095568867 562766951 /nfs/dbraw/zinc/76/69/51/562766951.db2.gz HEMXYRJVFKIXCC-KVSUUNMHSA-N -1 3 704.850 4.208 1 0 KIAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095568971 562767084 /nfs/dbraw/zinc/76/70/84/562767084.db2.gz ZIASBCWBADXAIG-HIRWGAFWSA-N -1 3 670.637 4.264 1 0 KIAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c([N-]S(C)(=O)=O)cccc2C1=O ZINC000095569140 562767257 /nfs/dbraw/zinc/76/72/57/562767257.db2.gz CUGBMLDXYRWSMY-DQCZWYHMSA-N -1 3 567.708 4.203 1 0 KIAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095569392 562767395 /nfs/dbraw/zinc/76/73/95/562767395.db2.gz ZIASBCWBADXAIG-HNPLUWAHSA-N -1 3 670.637 4.264 1 0 KIAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc(C(=O)Nc3ccccc3N)cc1)O2 ZINC000095569611 562767535 /nfs/dbraw/zinc/76/75/35/562767535.db2.gz HEMXYRJVFKIXCC-JJWUTGECSA-N -1 3 704.850 4.208 1 0 KIAFHM COc1ccc(NC(=O)Nc2cccc3c2O[C@@H](CN(C)Cc2ccc(C(=O)[O-])cc2)[C@@H](C)CN([C@@H](C)CO)C3=O)cc1 ZINC000095569858 562767748 /nfs/dbraw/zinc/76/77/48/562767748.db2.gz PZQBPEIDFVYGRO-CZBREUMFSA-N -1 3 590.677 4.390 1 0 KIAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)O2 ZINC000095570202 562768017 /nfs/dbraw/zinc/76/80/17/562768017.db2.gz HGHHOHQGISPNNA-DSNGTPCMSA-N -1 3 638.709 4.392 1 0 KIAFHM COc1ccc(NC(=O)N(C)C[C@H]2Oc3c([N-]S(=O)(=O)c4ccc(F)cc4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095570423 562768248 /nfs/dbraw/zinc/76/82/48/562768248.db2.gz QVMULHANBBKMOE-IOKPGSKQSA-N -1 3 614.696 4.019 1 0 KIAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095570634 562768372 /nfs/dbraw/zinc/76/83/72/562768372.db2.gz LKBCQLBSESIVFD-JAOJVIEDSA-N -1 3 630.163 4.151 1 0 KIAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccc(C(=O)Nc3ccccc3N)cc1)O2 ZINC000095570919 562768602 /nfs/dbraw/zinc/76/86/02/562768602.db2.gz RTRJXMRYKBMFBQ-YJRLZVGASA-N -1 3 690.823 4.279 1 0 KIAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc(C(=O)Nc3ccccc3N)cc1)O2 ZINC000095571482 562769082 /nfs/dbraw/zinc/76/90/82/562769082.db2.gz HEMXYRJVFKIXCC-SOTYFPCESA-N -1 3 704.850 4.208 1 0 KIAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccc(C(=O)Nc3ccccc3N)cc1)O2 ZINC000095571515 562769116 /nfs/dbraw/zinc/76/91/16/562769116.db2.gz RTRJXMRYKBMFBQ-MUQQHEDISA-N -1 3 690.823 4.279 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1NCc1cccnc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095571807 562769251 /nfs/dbraw/zinc/76/92/51/562769251.db2.gz OFMBXHPQMRKAJD-AWEZNQCLSA-N -1 3 525.528 4.038 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1NCc1cccnc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095571808 562769266 /nfs/dbraw/zinc/76/92/66/562769266.db2.gz OFMBXHPQMRKAJD-CQSZACIVSA-N -1 3 525.528 4.038 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ccccc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095572093 562769296 /nfs/dbraw/zinc/76/92/96/562769296.db2.gz VMGFEHAHCAZMLB-SFHVURJKSA-N -1 3 579.620 4.358 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ccccc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095572094 562769294 /nfs/dbraw/zinc/76/92/94/562769294.db2.gz VMGFEHAHCAZMLB-GOSISDBHSA-N -1 3 579.620 4.358 1 0 KIAFHM CSCC[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O)Oc1cccc2ccccc21)C(=O)OCc1ccccc1 ZINC000095572710 562769446 /nfs/dbraw/zinc/76/94/46/562769446.db2.gz MCZYOHGFKATANK-KYDGSSMWSA-N -1 3 673.656 4.136 1 0 KIAFHM CSCC[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O)Oc1cccc2ccccc21)C(=O)OCc1ccccc1 ZINC000095572711 562769471 /nfs/dbraw/zinc/76/94/71/562769471.db2.gz MCZYOHGFKATANK-ZKFSKNKWSA-N -1 3 673.656 4.136 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ccc(F)cc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095572771 562769527 /nfs/dbraw/zinc/76/95/27/562769527.db2.gz HYOQGXCEMYPYRN-KRWDZBQOSA-N -1 3 597.610 4.497 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ccc(F)cc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095572772 562769534 /nfs/dbraw/zinc/76/95/34/562769534.db2.gz HYOQGXCEMYPYRN-QGZVFWFLSA-N -1 3 597.610 4.497 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC[C@H]1C(=O)OC(C)(C)C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095573490 562769739 /nfs/dbraw/zinc/76/97/39/562769739.db2.gz ZEULETIAOMCOPN-YWZLYKJASA-N -1 3 588.624 4.341 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095573851 562769807 /nfs/dbraw/zinc/76/98/07/562769807.db2.gz HVBMHEAQIUVANN-HNNXBMFYSA-N -1 3 516.561 4.411 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095573852 562769802 /nfs/dbraw/zinc/76/98/02/562769802.db2.gz HVBMHEAQIUVANN-OAHLLOKOSA-N -1 3 516.561 4.411 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ccccc2F)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095574580 562769994 /nfs/dbraw/zinc/76/99/94/562769994.db2.gz SABHZVVZROODBM-KRWDZBQOSA-N -1 3 597.610 4.497 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ccccc2F)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095574581 562770018 /nfs/dbraw/zinc/77/00/18/562770018.db2.gz SABHZVVZROODBM-QGZVFWFLSA-N -1 3 597.610 4.497 1 0 KIAFHM CCCCCOC(=O)[C@H](CC(C)C)N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O)Oc1cccc2ccccc21 ZINC000095575121 562770183 /nfs/dbraw/zinc/77/01/83/562770183.db2.gz MHPOHXSIZXXRKT-ITUYKYCOSA-N -1 3 635.626 4.419 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCC[C@H]1C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095575301 562770278 /nfs/dbraw/zinc/77/02/78/562770278.db2.gz JTMJWSUVIGJNNC-CABCVRRESA-N -1 3 516.561 4.410 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCC[C@@H]1C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095575302 562770291 /nfs/dbraw/zinc/77/02/91/562770291.db2.gz JTMJWSUVIGJNNC-GJZGRUSLSA-N -1 3 516.561 4.410 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095575806 562770440 /nfs/dbraw/zinc/77/04/40/562770440.db2.gz OZFZESZUSYGADK-MAUKXSAKSA-N -1 3 603.639 4.134 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095576267 562770592 /nfs/dbraw/zinc/77/05/92/562770592.db2.gz OZFZESZUSYGADK-YJBOKZPZSA-N -1 3 603.639 4.134 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC[C@H]1C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095576329 562770606 /nfs/dbraw/zinc/77/06/06/562770606.db2.gz REZZIDFNLUGTTL-KGLIPLIRSA-N -1 3 502.534 4.020 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095576330 562770645 /nfs/dbraw/zinc/77/06/45/562770645.db2.gz REZZIDFNLUGTTL-KBPBESRZSA-N -1 3 502.534 4.020 1 0 KIAFHM CC(C)[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O)Oc1cccc2ccccc21)C(=O)OC1CCCCC1 ZINC000095576831 562770770 /nfs/dbraw/zinc/77/07/70/562770770.db2.gz ZXHJBKWNQWQRLR-IQDWTPLGSA-N -1 3 633.610 4.171 1 0 KIAFHM CC(C)[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O)Oc1cccc2ccccc21)C(=O)OC1CCCCC1 ZINC000095576832 562770742 /nfs/dbraw/zinc/77/07/42/562770742.db2.gz ZXHJBKWNQWQRLR-HHMLSREASA-N -1 3 633.610 4.171 1 0 KIAFHM CC(C)OC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000095576967 562770815 /nfs/dbraw/zinc/77/08/15/562770815.db2.gz CAOWMMUTVYQGNU-INIZCTEOSA-N -1 3 560.614 4.425 1 0 KIAFHM CC(C)OC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000095576968 562770798 /nfs/dbraw/zinc/77/07/98/562770798.db2.gz CAOWMMUTVYQGNU-MRXNPFEDSA-N -1 3 560.614 4.425 1 0 KIAFHM CC(C)C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O)Oc1cccc2ccccc21)C(=O)OCc1ccccc1 ZINC000095577940 562771103 /nfs/dbraw/zinc/77/11/03/562771103.db2.gz ZOVXNTSJWCABQI-SJMYMQHVSA-N -1 3 655.616 4.429 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ncccc2Cl)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095578097 562771188 /nfs/dbraw/zinc/77/11/88/562771188.db2.gz POVISUPNMKAOHM-INIZCTEOSA-N -1 3 615.053 4.406 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ncccc2Cl)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095578098 562771161 /nfs/dbraw/zinc/77/11/61/562771161.db2.gz POVISUPNMKAOHM-MRXNPFEDSA-N -1 3 615.053 4.406 1 0 KIAFHM CCCCN(C)c1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095578612 562771296 /nfs/dbraw/zinc/77/12/96/562771296.db2.gz OEVLPZUWWFFLRL-AWEZNQCLSA-N -1 3 504.550 4.267 1 0 KIAFHM CCCCN(C)c1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095578613 562771298 /nfs/dbraw/zinc/77/12/98/562771298.db2.gz OEVLPZUWWFFLRL-CQSZACIVSA-N -1 3 504.550 4.267 1 0 KIAFHM CCCCCOC(=O)[C@@H](N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O)Oc1cccc2ccccc21)[C@@H](C)CC ZINC000095579310 562771506 /nfs/dbraw/zinc/77/15/06/562771506.db2.gz DJFANKJZPRGUCT-QHTKHOEWSA-N -1 3 635.626 4.419 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC[C@@H](C)C1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095579845 562771673 /nfs/dbraw/zinc/77/16/73/562771673.db2.gz VROKCAQDHDZXMA-CABCVRRESA-N -1 3 516.561 4.267 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC[C@H](C)C1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095579846 562771723 /nfs/dbraw/zinc/77/17/23/562771723.db2.gz VROKCAQDHDZXMA-GJZGRUSLSA-N -1 3 516.561 4.267 1 0 KIAFHM COc1cccc2c1c([N-]S(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)[C@@H]2CCCCN2)c1 ZINC000095585790 562773728 /nfs/dbraw/zinc/77/37/28/562773728.db2.gz BKWSVOITUDUHBY-IBGZPJMESA-N -1 3 574.128 4.367 1 0 KIAFHM COC(=O)CNCCCOc1ccc2cc(NC(=O)c3ccc([O-])c(CC=C(C)C)c3)c(=O)oc2c1C ZINC000095597468 562777250 /nfs/dbraw/zinc/77/72/50/562777250.db2.gz NBBJGRXWZLSXGH-UHFFFAOYSA-N -1 3 508.571 4.100 1 0 KIAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2C(=O)[O-])Oc2cc(-c3ccc(F)cc3)ccc2S1(=O)=O ZINC000095601261 562779455 /nfs/dbraw/zinc/77/94/55/562779455.db2.gz KSASPYMRGHUFQD-SEXOINJZSA-N -1 3 556.656 4.092 1 0 KIAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)[O-])cc2)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000095601951 562779808 /nfs/dbraw/zinc/77/98/08/562779808.db2.gz LFAGSSMFMOSEKY-YKOVRBNNSA-N -1 3 564.704 4.456 1 0 KIAFHM CO[C@@H]1CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2OC[C@H](C)NC[C@H]1C ZINC000095602780 562780231 /nfs/dbraw/zinc/78/02/31/562780231.db2.gz NZYQBFQVYSNMPI-PHVLTXCSSA-N -1 3 553.681 4.373 1 0 KIAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095603008 562780308 /nfs/dbraw/zinc/78/03/08/562780308.db2.gz YSFLSXYMAWJCRG-TWUWCHPWSA-N -1 3 616.136 4.222 1 0 KIAFHM CO[C@@H]1CN(C)C(=O)c2cc([N-]S(=O)(=O)c3cn(C)cn3)ccc2OC[C@@H](C)N(Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000095603354 562780471 /nfs/dbraw/zinc/78/04/71/562780471.db2.gz PFYWUDHNGCJFOI-XMERXJNXSA-N -1 3 623.698 4.246 1 0 KIAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc2c1O[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1)[C@H](C)CN([C@H](C)CO)C2=O ZINC000095603455 562780550 /nfs/dbraw/zinc/78/05/50/562780550.db2.gz PTCOJZLCRJVKMK-QJMRKGMQSA-N -1 3 624.682 4.463 1 0 KIAFHM O=C(Cc1cc(I)c(Oc2ccc([O-])c(I)c2)c(I)c1)N1CCOCC1 ZINC000095603538 562780584 /nfs/dbraw/zinc/78/05/84/562780584.db2.gz QXGMEQPKRMAPAQ-UHFFFAOYSA-N -1 3 691.041 4.400 1 0 KIAFHM COc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(OCCN(C)C)c2)cc1OC ZINC000095603850 562780734 /nfs/dbraw/zinc/78/07/34/562780734.db2.gz OCAFNWMBFRIQMJ-UHFFFAOYSA-N -1 3 527.359 4.226 1 0 KIAFHM CNC(=O)Cc1cc(I)c(Oc2ccc([O-])c(I)c2)c(I)c1 ZINC000095603992 562780751 /nfs/dbraw/zinc/78/07/51/562780751.db2.gz JPXYHNATOUPESC-UHFFFAOYSA-N -1 3 634.977 4.287 1 0 KIAFHM COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@H](C(=O)OCCCCCn3cc(F)c(=O)[n-]c3=O)[C@@H](C)Cc3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000095606525 562782138 /nfs/dbraw/zinc/78/21/38/562782138.db2.gz ZQBHDBIJONNOTA-XNBLZOFTSA-N -1 3 773.811 4.354 1 0 KIAFHM COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@H](C(=O)OCCCCCn3cc(F)c(=O)[n-]c3=O)[C@H](C)Cc3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000095606526 562782140 /nfs/dbraw/zinc/78/21/40/562782140.db2.gz ZQBHDBIJONNOTA-YHCWILSPSA-N -1 3 773.811 4.354 1 0 KIAFHM COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@@H](C(=O)OCCCCCn3cc(F)c(=O)[n-]c3=O)[C@@H](C)Cc3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000095606527 562782156 /nfs/dbraw/zinc/78/21/56/562782156.db2.gz ZQBHDBIJONNOTA-BMWKZXAPSA-N -1 3 773.811 4.354 1 0 KIAFHM COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@@H](C(=O)OCCCCCn3cc(F)c(=O)[n-]c3=O)[C@H](C)Cc3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000095606528 562782143 /nfs/dbraw/zinc/78/21/43/562782143.db2.gz ZQBHDBIJONNOTA-XAXWBFDESA-N -1 3 773.811 4.354 1 0 KIAFHM Cc1cccc2nc(Nc3ccc(C(=O)N[C@H](CCCCNC(=O)C=Cc4cccnc4)C(=O)N[C@H](CCCC(=O)[O-])C(=O)NC4(C(N)=O)CCCCC4)cc3)[nH]c21 ZINC000095613045 562786032 /nfs/dbraw/zinc/78/60/32/562786032.db2.gz WSHPDQBRNHRLBI-KXIAJFSESA-N -1 3 793.926 4.152 1 0 KIAFHM Cc1ccc2nc(Nc3ccc(C(=O)N[C@H](CCCCNC(=O)C=Cc4cccnc4)C(=O)N[C@H](CCCC(=O)[O-])C(=O)NC4(C(N)=O)CCCCC4)cc3)[nH]c2c1 ZINC000095615252 562787216 /nfs/dbraw/zinc/78/72/16/562787216.db2.gz BEYSUVLDGBAATA-QTLFVIRPSA-N -1 3 793.926 4.152 1 0 KIAFHM C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(I)c(=O)[n-]c2=O)C(F)(F)[C@@H]1O)Oc1cccc2ccccc21)C(=O)OCc1ccccc1 ZINC000095617158 562787905 /nfs/dbraw/zinc/78/79/05/562787905.db2.gz OHWMORUEXGTGNM-NIDRQWCSSA-N -1 3 757.421 4.113 1 0 KIAFHM C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2cc(I)c(=O)[n-]c2=O)C(F)(F)[C@@H]1O)Oc1cccc2ccccc21)C(=O)OCc1ccccc1 ZINC000095617159 562787907 /nfs/dbraw/zinc/78/79/07/562787907.db2.gz OHWMORUEXGTGNM-AZEUNMRJSA-N -1 3 757.421 4.113 1 0 KIAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc2c1O[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1)[C@@H](C)CN([C@@H](C)CO)C2=O ZINC000095665367 562788118 /nfs/dbraw/zinc/78/81/18/562788118.db2.gz PTCOJZLCRJVKMK-DPOKWSEZSA-N -1 3 624.682 4.463 1 0 KIAFHM Cc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)Cc1ccc(C(=O)[O-])cc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095735661 562788773 /nfs/dbraw/zinc/78/87/73/562788773.db2.gz VHCZRFPKNWPULV-VPYPWEPUSA-N -1 3 552.693 4.261 1 0 KIAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3cn(C)cn3)cc2CC1=O ZINC000095754610 562788903 /nfs/dbraw/zinc/78/89/03/562788903.db2.gz GWJJWVMGTKVAJQ-BRUQSJHLSA-N -1 3 647.798 4.294 1 0 KIAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C)OCCCC[C@@H](C)O3)cc1 ZINC000095772804 562789028 /nfs/dbraw/zinc/78/90/28/562789028.db2.gz PRCUBQSECBZBSK-OODISRMCSA-N -1 3 575.772 4.153 1 0 KIAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)[O-])cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095819308 562789248 /nfs/dbraw/zinc/78/92/48/562789248.db2.gz FOFZNWJREQYWLU-ISCCLHIJSA-N -1 3 560.651 4.381 1 0 KIAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095822107 562789218 /nfs/dbraw/zinc/78/92/18/562789218.db2.gz MVTKQSXBOABTSJ-IHMCZWCLSA-N -1 3 586.154 4.422 1 0 KIAFHM COc1ccc(NC(=O)Nc2cccc3c2O[C@H](CN(C)Cc2ccc(C(=O)[O-])cc2)[C@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095833443 562789277 /nfs/dbraw/zinc/78/92/77/562789277.db2.gz PZQBPEIDFVYGRO-UMQWNRPGSA-N -1 3 590.677 4.390 1 0 KIAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)[O-])cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095834501 562789362 /nfs/dbraw/zinc/78/93/62/562789362.db2.gz FOFZNWJREQYWLU-LGVUCKNBSA-N -1 3 560.651 4.381 1 0 KIAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095846049 562789430 /nfs/dbraw/zinc/78/94/30/562789430.db2.gz GOBHPVUGCFRQAG-SOLZYKTISA-N -1 3 596.190 4.498 1 0 KIAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095847003 562789509 /nfs/dbraw/zinc/78/95/09/562789509.db2.gz GOBHPVUGCFRQAG-WBJWTPEXSA-N -1 3 596.190 4.498 1 0 KIAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095847764 562789519 /nfs/dbraw/zinc/78/95/19/562789519.db2.gz GOBHPVUGCFRQAG-BUUPBASBSA-N -1 3 596.190 4.498 1 0 KIAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095848960 562789473 /nfs/dbraw/zinc/78/94/73/562789473.db2.gz GOBHPVUGCFRQAG-WENLUUPESA-N -1 3 596.190 4.498 1 0 KIAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc2c1O[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)[C@@H](C)CN([C@H](C)CO)C2=O ZINC000095853545 562789576 /nfs/dbraw/zinc/78/95/76/562789576.db2.gz PTCOJZLCRJVKMK-ATLLOTDBSA-N -1 3 624.682 4.463 1 0 KIAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc2c1O[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1)[C@H](C)CN([C@@H](C)CO)C2=O ZINC000095854002 562789572 /nfs/dbraw/zinc/78/95/72/562789572.db2.gz PTCOJZLCRJVKMK-FUMQJTLXSA-N -1 3 624.682 4.463 1 0 KIAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc2c1O[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)[C@@H](C)CN([C@@H](C)CO)C2=O ZINC000095855283 562789633 /nfs/dbraw/zinc/78/96/33/562789633.db2.gz PTCOJZLCRJVKMK-RPPIVITFSA-N -1 3 624.682 4.463 1 0 KIAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)[O-])cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095855390 562789656 /nfs/dbraw/zinc/78/96/56/562789656.db2.gz DHFYMYKOVLGPGL-NOMHHCBYSA-N -1 3 566.699 4.191 1 0 KIAFHM COc1ccc(NC(=O)N(C)C[C@H]2Oc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095857042 562789658 /nfs/dbraw/zinc/78/96/58/562789658.db2.gz TZIYUHRQWCQTDG-NKQBKRSGSA-N -1 3 614.696 4.019 1 0 KIAFHM COc1ccc([C@]23C[C@@H](/C=C/c4cc(OC)c(OC)cc4OC)O[C@@]2(O)C(=O)c2c([O-])cc(OC)cc2O3)cc1 ZINC000095912028 291845081 /nfs/dbraw/zinc/84/50/81/291845081.db2.gz IZGFFJPOYHFVMH-PUMFUAEBSA-N -1 3 550.560 4.097 1 0 biogenic,in-vitro KIAFHM Cc1cc(-c2cc(O)ccc2Cl)cc2nnc([N-]c3nc(C(=O)NCCN4CCCC4)cs3)nc12 ZINC000096167774 562790550 /nfs/dbraw/zinc/79/05/50/562790550.db2.gz NYABGVVHNWYTPF-UHFFFAOYSA-N -1 3 510.023 4.385 1 0 KIAFHM Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1cc([O-])ccc1Cl ZINC000096167787 562790601 /nfs/dbraw/zinc/79/06/01/562790601.db2.gz XSYZCQDIHCJKAQ-UHFFFAOYSA-N -1 3 539.061 4.477 1 0 KIAFHM Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc([N-]c3cc(N4CCN(CCO)CC4)nc(C)n3)nc12 ZINC000096167809 562790596 /nfs/dbraw/zinc/79/05/96/562790596.db2.gz XWKXGSRMVTYQMP-UHFFFAOYSA-N -1 3 525.444 4.263 1 0 KIAFHM Cn1ccc(S(=O)(=O)[N-]C2(c3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CCC2)n1 ZINC000096174140 562791737 /nfs/dbraw/zinc/79/17/37/562791737.db2.gz YYPSFNCXIAACNH-UHFFFAOYSA-N -1 3 524.610 4.145 1 0 KIAFHM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc(N4CCN(CCN5CCOCC5)CC4)nc32)c1 ZINC000096175739 562791919 /nfs/dbraw/zinc/79/19/19/562791919.db2.gz QLQDAVSXOOQSBY-UHFFFAOYSA-N -1 3 731.924 4.461 1 0 KIAFHM CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNCCCC(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000096270838 562793425 /nfs/dbraw/zinc/79/34/25/562793425.db2.gz WKJPADKIKWPORS-KAYWLYCHSA-N -1 3 502.677 4.455 1 0 KIAFHM CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(C)(C)C(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000096270848 562793393 /nfs/dbraw/zinc/79/33/93/562793393.db2.gz URBUJKIUQXHCNX-SHQCIBLASA-N -1 3 502.677 4.453 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270925 562793525 /nfs/dbraw/zinc/79/35/25/562793525.db2.gz QBCITRXUVWOHQC-ZDUSSCGKSA-N -1 3 503.518 4.210 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270926 562793539 /nfs/dbraw/zinc/79/35/39/562793539.db2.gz QBCITRXUVWOHQC-CYBMUJFWSA-N -1 3 503.518 4.210 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC[C@@H]1C[C@H]1C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270927 562793557 /nfs/dbraw/zinc/79/35/57/562793557.db2.gz YPUYKRCDAKESFQ-WWGRRREGSA-N -1 3 503.518 4.066 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC[C@@H]1C[C@H]1C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270928 562793517 /nfs/dbraw/zinc/79/35/17/562793517.db2.gz YPUYKRCDAKESFQ-IOASZLSFSA-N -1 3 503.518 4.066 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270946 562793609 /nfs/dbraw/zinc/79/36/09/562793609.db2.gz FUSMCWDQAUYKLV-ZDUSSCGKSA-N -1 3 503.518 4.352 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270947 562793575 /nfs/dbraw/zinc/79/35/75/562793575.db2.gz FUSMCWDQAUYKLV-CYBMUJFWSA-N -1 3 503.518 4.352 1 0 KIAFHM CC(C)CCOc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270958 562793595 /nfs/dbraw/zinc/79/35/95/562793595.db2.gz QKXMMABREWXBLA-AWEZNQCLSA-N -1 3 505.534 4.456 1 0 KIAFHM CC(C)CCOc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270959 562793615 /nfs/dbraw/zinc/79/36/15/562793615.db2.gz QKXMMABREWXBLA-CQSZACIVSA-N -1 3 505.534 4.456 1 0 KIAFHM CC/C=C\COc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270970 562793585 /nfs/dbraw/zinc/79/35/85/562793585.db2.gz AJNPMMIHPCZJOS-GXMNPTEKSA-N -1 3 503.518 4.376 1 0 KIAFHM CC/C=C\COc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270971 562793607 /nfs/dbraw/zinc/79/36/07/562793607.db2.gz AJNPMMIHPCZJOS-GEXIGZQTSA-N -1 3 503.518 4.376 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccncc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270986 562793641 /nfs/dbraw/zinc/79/36/41/562793641.db2.gz SPHUOBGEKAREHH-AWEZNQCLSA-N -1 3 526.512 4.005 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccncc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270987 562793649 /nfs/dbraw/zinc/79/36/49/562793649.db2.gz SPHUOBGEKAREHH-CQSZACIVSA-N -1 3 526.512 4.005 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1cccnc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270988 562793639 /nfs/dbraw/zinc/79/36/39/562793639.db2.gz HELSETHSRJBAEC-AWEZNQCLSA-N -1 3 526.512 4.005 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1cccnc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270989 562793662 /nfs/dbraw/zinc/79/36/62/562793662.db2.gz HELSETHSRJBAEC-CQSZACIVSA-N -1 3 526.512 4.005 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccccn1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270990 562793673 /nfs/dbraw/zinc/79/36/73/562793673.db2.gz TYAOZSWWMNYVFU-AWEZNQCLSA-N -1 3 526.512 4.005 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccccn1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270991 562793657 /nfs/dbraw/zinc/79/36/57/562793657.db2.gz TYAOZSWWMNYVFU-CQSZACIVSA-N -1 3 526.512 4.005 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCCC(=O)N1CCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286084 562796077 /nfs/dbraw/zinc/79/60/77/562796077.db2.gz TWOIDMDVWIKJHD-HNNXBMFYSA-N -1 3 576.638 4.136 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCCC(=O)N1CCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286085 562796046 /nfs/dbraw/zinc/79/60/46/562796046.db2.gz TWOIDMDVWIKJHD-OAHLLOKOSA-N -1 3 576.638 4.136 1 0 KIAFHM O=C1N=C2c3cc4c(cc3N[C@H](c3ccccc3Cl)C2C(=O)[N-]1)-c1[nH]c(=O)[nH]c(=O)c1[C@H](c1ccccc1Cl)N4 ZINC000096906881 562798890 /nfs/dbraw/zinc/79/88/90/562798890.db2.gz YESMGSQCDIGYEL-SZPZYZBQSA-N -1 3 573.396 4.110 1 0 KIAFHM O=C1N=C2c3cc4c(cc3N[C@@H](c3ccc(Cl)cc3)C2C(=O)[N-]1)-c1[nH]c(=O)[nH]c(=O)c1[C@@H](c1ccc(Cl)cc1)N4 ZINC000096906884 562798949 /nfs/dbraw/zinc/79/89/49/562798949.db2.gz BHEVBOVAKKAORB-SZPZYZBQSA-N -1 3 573.396 4.110 1 0 KIAFHM CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4ccc(I)c([O-])c4)O[C@@]1(C3)O2 ZINC000096910115 562799845 /nfs/dbraw/zinc/79/98/45/562799845.db2.gz VBROMDNWBHHGHB-HBCDKKEGSA-N -1 3 616.489 4.400 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1[S@@](=O)C1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096939229 562804720 /nfs/dbraw/zinc/80/47/20/562804720.db2.gz ICYIZLMIIAOOTI-UKNGYUQDSA-N -1 3 549.612 4.471 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1[S@@](=O)C1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096939230 562804762 /nfs/dbraw/zinc/80/47/62/562804762.db2.gz ICYIZLMIIAOOTI-DUUVKCCLSA-N -1 3 549.612 4.471 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1[S@](=O)C1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096939231 562804753 /nfs/dbraw/zinc/80/47/53/562804753.db2.gz ICYIZLMIIAOOTI-NADQVQOSSA-N -1 3 549.612 4.471 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1[S@](=O)C1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096939232 562804744 /nfs/dbraw/zinc/80/47/44/562804744.db2.gz ICYIZLMIIAOOTI-SRKBNZRHSA-N -1 3 549.612 4.471 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1S(=O)(=O)C1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096939233 562804727 /nfs/dbraw/zinc/80/47/27/562804727.db2.gz BDHGBAJCWNBHST-AWEZNQCLSA-N -1 3 565.611 4.137 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1S(=O)(=O)C1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096939234 562804751 /nfs/dbraw/zinc/80/47/51/562804751.db2.gz BDHGBAJCWNBHST-CQSZACIVSA-N -1 3 565.611 4.137 1 0 KIAFHM CC(C)(C)CCN1C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)[C@H]2CCCCCC[C@H]21 ZINC000100084099 562806739 /nfs/dbraw/zinc/80/67/39/562806739.db2.gz DAKBFESTVLIITH-PKOBYXMFSA-N -1 3 552.719 4.000 1 0 KIAFHM CC(C)(C)CCN1C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)[C@H]2CCCCCC[C@@H]21 ZINC000100084102 562806733 /nfs/dbraw/zinc/80/67/33/562806733.db2.gz DAKBFESTVLIITH-HKUYNNGSSA-N -1 3 552.719 4.000 1 0 KIAFHM CC(C)(C)CCN1C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)[C@@H]2CCCCCC[C@H]21 ZINC000100084104 562806751 /nfs/dbraw/zinc/80/67/51/562806751.db2.gz DAKBFESTVLIITH-IEBWSBKVSA-N -1 3 552.719 4.000 1 0 KIAFHM CC(C)(C)CCN1C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)[C@@H]2CCCCCC[C@@H]21 ZINC000100084106 562806762 /nfs/dbraw/zinc/80/67/62/562806762.db2.gz DAKBFESTVLIITH-MJGOQNOKSA-N -1 3 552.719 4.000 1 0 KIAFHM CC(C)(C)CC[C@]1(C)CN(C2CCCC2)C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O ZINC000100095099 562806793 /nfs/dbraw/zinc/80/67/93/562806793.db2.gz LXIFZRPWZMHZQS-RUZDIDTESA-N -1 3 552.719 4.000 1 0 KIAFHM CC(C)CC[C@]1(C)CN(C2CCCCC2)C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O ZINC000100095121 562806768 /nfs/dbraw/zinc/80/67/68/562806768.db2.gz XMNIBLMUTNVHAC-RUZDIDTESA-N -1 3 552.719 4.000 1 0 KIAFHM CC(C)(C)CC[C@]1(C)CN(C2CCCCC2)C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O ZINC000100095137 562806796 /nfs/dbraw/zinc/80/67/96/562806796.db2.gz HOZIVJSLSGLAKR-AREMUKBSSA-N -1 3 566.746 4.390 1 0 KIAFHM CC[C@@]1(CCC(C)C)CN(C2CCCC2)C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O ZINC000100095180 562806824 /nfs/dbraw/zinc/80/68/24/562806824.db2.gz NUTAVIYVUYPDKO-RUZDIDTESA-N -1 3 552.719 4.000 1 0 KIAFHM CCC(C)(C)CCn1nc(-c2cccs2)c(=O)c(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-] ZINC000100424889 562806990 /nfs/dbraw/zinc/80/69/90/562806990.db2.gz DPZQNJCPTZHGSQ-UHFFFAOYSA-N -1 3 564.711 4.073 1 0 KIAFHM CCc1ccc(-n2c(=O)c3c[n-]nc3nc2SCc2cc(=O)n3cc(Br)ccc3n2)cc1 ZINC000100617824 562807168 /nfs/dbraw/zinc/80/71/68/562807168.db2.gz GOWSSJSSTNNLPD-UHFFFAOYSA-N -1 3 509.389 4.098 1 0 KIAFHM CCc1ccc(-n2c(=O)c3cn[n-]c3nc2SCc2cc(=O)n3cc(Br)ccc3n2)cc1 ZINC000100617824 562807167 /nfs/dbraw/zinc/80/71/67/562807167.db2.gz GOWSSJSSTNNLPD-UHFFFAOYSA-N -1 3 509.389 4.098 1 0 KIAFHM Nc1[nH]ccc2nc(-c3cc(C(=O)[O-])cc(-c4cccc(CNC(=O)[C@@H](O)Cc5ccccc5)c4)c3O)cc1-2 ZINC000101090954 562809118 /nfs/dbraw/zinc/80/91/18/562809118.db2.gz KWCIYRGAGPFQMZ-SANMLTNESA-N -1 3 522.561 4.054 1 0 KIAFHM COc1ccc(F)cc1S(=O)(=O)[N-][C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 ZINC000101093407 562809195 /nfs/dbraw/zinc/80/91/95/562809195.db2.gz SHLHJQDYUNFBDK-HZCBDIJESA-N -1 3 505.656 4.033 1 0 KIAFHM COc1ccc(F)cc1S(=O)(=O)[N-][C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 ZINC000101127814 562809380 /nfs/dbraw/zinc/80/93/80/562809380.db2.gz SHLHJQDYUNFBDK-SZPZYZBQSA-N -1 3 505.656 4.033 1 0 KIAFHM Cc1c(S(=O)(=O)[N-]C[C@](O)(C[C@]2(C)CCCc3ccccc32)C(F)(F)F)cnn1-c1ccccc1 ZINC000101423812 562810633 /nfs/dbraw/zinc/81/06/33/562810633.db2.gz AUZUBZUZHSEFBR-BJKOFHAPSA-N -1 3 507.578 4.437 1 0 KIAFHM O=C(CSc1nc2nncc-2c([O-])n1-c1ccccc1Br)NCc1ccccc1Cl ZINC000101565282 562811311 /nfs/dbraw/zinc/81/13/11/562811311.db2.gz BTGRHUDUHDSYRW-UHFFFAOYSA-N -1 3 504.797 4.297 1 0 KIAFHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1Br)NCc1ccccc1Cl ZINC000101565282 562811309 /nfs/dbraw/zinc/81/13/09/562811309.db2.gz BTGRHUDUHDSYRW-UHFFFAOYSA-N -1 3 504.797 4.297 1 0 KIAFHM COc1ccc(CCNC(=O)CSc2nc3nncc-3c([O-])n2-c2ccc(Cl)cc2Cl)cc1OC ZINC000101586289 562811356 /nfs/dbraw/zinc/81/13/56/562811356.db2.gz BCHXRQBEFXUYCE-UHFFFAOYSA-N -1 3 534.425 4.248 1 0 KIAFHM COc1ccc(CCNC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(Cl)cc2Cl)cc1OC ZINC000101586289 562811354 /nfs/dbraw/zinc/81/13/54/562811354.db2.gz BCHXRQBEFXUYCE-UHFFFAOYSA-N -1 3 534.425 4.248 1 0 KIAFHM O=c1cc(CSc2nc3n[n-]cc3c(=O)n2-c2ccc(Br)cc2)nc2ccc(Br)cn12 ZINC000101954417 562812385 /nfs/dbraw/zinc/81/23/85/562812385.db2.gz JCQDVSOQERWERR-UHFFFAOYSA-N -1 3 560.231 4.298 1 0 KIAFHM O=c1cc(CSc2nc3[n-]ncc3c(=O)n2-c2ccc(Br)cc2)nc2ccc(Br)cn12 ZINC000101954417 562812384 /nfs/dbraw/zinc/81/23/84/562812384.db2.gz JCQDVSOQERWERR-UHFFFAOYSA-N -1 3 560.231 4.298 1 0 KIAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3C4CCC(CC4)[C@@H]3N(Cc3cc(Cl)ccc3F)C1=O)[N-]2 ZINC000101990953 562812499 /nfs/dbraw/zinc/81/24/99/562812499.db2.gz MCHYQGIGECJBCR-OAKDCAPRSA-N -1 3 609.101 4.023 1 0 KIAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3C4CCC(CC4)[C@@H]3N(Cc3ccc(F)c(Cl)c3)C1=O)[N-]2 ZINC000102004239 562812538 /nfs/dbraw/zinc/81/25/38/562812538.db2.gz ZGBSDMKGBJBRNI-KBEHYWLWSA-N -1 3 609.101 4.023 1 0 KIAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3C4CCC(CC4)[C@@H]3N(Cc3ccc(C(F)(F)F)cc3)C1=O)[N-]2 ZINC000102909226 562813486 /nfs/dbraw/zinc/81/34/86/562813486.db2.gz SOJFKWOWWWCRTQ-PXQYLUNASA-N -1 3 624.663 4.249 1 0 KIAFHM COc1cc(C=C2CN(C)CC3=C2Nc2nc(SC)[n-]c(=O)c2[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000103097582 562814316 /nfs/dbraw/zinc/81/43/16/562814316.db2.gz NTWNFVKIPIOAEO-AVQBUJNVSA-N -1 3 608.717 4.384 1 0 KIAFHM COc1cc(C=C2CN(C)CC3=C2Nc2nc(SC)[n-]c(=O)c2[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000103097585 562814313 /nfs/dbraw/zinc/81/43/13/562814313.db2.gz NTWNFVKIPIOAEO-CIOPSUNISA-N -1 3 608.717 4.384 1 0 KIAFHM CCCCc1nnc(C(=O)NCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000103205191 562816362 /nfs/dbraw/zinc/81/63/62/562816362.db2.gz VRSSGHXZYJJXMI-UHFFFAOYSA-N -1 3 535.612 4.031 1 0 KIAFHM CCCCc1nnc(C(=O)NCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000103205191 562816361 /nfs/dbraw/zinc/81/63/61/562816361.db2.gz VRSSGHXZYJJXMI-UHFFFAOYSA-N -1 3 535.612 4.031 1 0 KIAFHM CCCCc1nnc(C(=O)N(C)Cc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000103205194 562816373 /nfs/dbraw/zinc/81/63/73/562816373.db2.gz PPRPPVPBGZGKAF-UHFFFAOYSA-N -1 3 549.639 4.374 1 0 KIAFHM CCCCc1nnc(C(=O)N(C)Cc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000103205194 562816372 /nfs/dbraw/zinc/81/63/72/562816372.db2.gz PPRPPVPBGZGKAF-UHFFFAOYSA-N -1 3 549.639 4.374 1 0 KIAFHM CCCCc1nnc(C(=O)N(C)c2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000103205197 562816368 /nfs/dbraw/zinc/81/63/68/562816368.db2.gz HWRHHJHKGDHGQS-UHFFFAOYSA-N -1 3 535.612 4.378 1 0 KIAFHM CCCCc1nnc(C(=O)N(C)c2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000103205197 562816367 /nfs/dbraw/zinc/81/63/67/562816367.db2.gz HWRHHJHKGDHGQS-UHFFFAOYSA-N -1 3 535.612 4.378 1 0 KIAFHM CCCCc1nnc([S@](=O)Cc2ccccc2C(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000103213238 562816844 /nfs/dbraw/zinc/81/68/44/562816844.db2.gz RNGDXQIAMHOERS-QLKFWGTOSA-N -1 3 598.689 4.196 1 0 KIAFHM CCCCc1nnc([S@](=O)Cc2ccccc2C(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000103213238 562816843 /nfs/dbraw/zinc/81/68/43/562816843.db2.gz RNGDXQIAMHOERS-QLKFWGTOSA-N -1 3 598.689 4.196 1 0 KIAFHM CCCCc1nnc([S@@](=O)Cc2ccccc2C(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000103213243 562816858 /nfs/dbraw/zinc/81/68/58/562816858.db2.gz RNGDXQIAMHOERS-VZUYHUTRSA-N -1 3 598.689 4.196 1 0 KIAFHM CCCCc1nnc([S@@](=O)Cc2ccccc2C(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000103213243 562816857 /nfs/dbraw/zinc/81/68/57/562816857.db2.gz RNGDXQIAMHOERS-VZUYHUTRSA-N -1 3 598.689 4.196 1 0 KIAFHM Cc1cc(S(=O)(=O)[N-]C(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2cc3c(cc2Cl)OCO3)cc1Cl ZINC000103226204 562817791 /nfs/dbraw/zinc/81/77/91/562817791.db2.gz HCJJDZZMUBIVDS-UHFFFAOYSA-N -1 3 603.531 4.295 1 0 KIAFHM Cc1cc(S(=O)(=O)[N-]C(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2cc3c(cc2Cl)OCO3)cc1Cl ZINC000103226207 562817802 /nfs/dbraw/zinc/81/78/02/562817802.db2.gz COESCMBZZPSMGA-UHFFFAOYSA-N -1 3 603.531 4.295 1 0 KIAFHM O=C([O-])[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(I)cc1)N2C/C=C/I ZINC000103226582 562817822 /nfs/dbraw/zinc/81/78/22/562817822.db2.gz ZASUYZQUSFFDOQ-AACQVBLVSA-N -1 3 523.152 4.261 1 0 KIAFHM O=C(Nc1cc(Cl)c([O-])cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1)NC1CC1 ZINC000103235604 562818735 /nfs/dbraw/zinc/81/87/35/562818735.db2.gz QJAYKDGGKXBVAZ-SFHVURJKSA-N -1 3 522.429 4.192 1 0 KIAFHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNc3ncnc4c3cnn4CCc3ccccc3)c2)cc1 ZINC000103253399 562820547 /nfs/dbraw/zinc/82/05/47/562820547.db2.gz RLTOPHQEPYHXEV-UHFFFAOYSA-N -1 3 514.611 4.491 1 0 KIAFHM Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc([N-]c2nc(-c3cccnc3)c3cccn3n2)nc1 ZINC000103261561 562821440 /nfs/dbraw/zinc/82/14/40/562821440.db2.gz YVMNPMSFXSFYCJ-UHFFFAOYSA-N -1 3 520.597 4.323 1 0 KIAFHM CC[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000103266152 562822193 /nfs/dbraw/zinc/82/21/93/562822193.db2.gz FAHWZKRRVQTVKR-IBGZPJMESA-N -1 3 519.456 4.273 1 0 KIAFHM CC[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000103266152 562822192 /nfs/dbraw/zinc/82/21/92/562822192.db2.gz FAHWZKRRVQTVKR-IBGZPJMESA-N -1 3 519.456 4.273 1 0 KIAFHM COc1ccc([C@H]2[C@@H](C)[C@]3(C[C@@H](c4ccc(OC)cc4)N2C(C)=O)SC([N-]C(C)=O)=NN3C(C)=O)cc1 ZINC000103280224 562823443 /nfs/dbraw/zinc/82/34/43/562823443.db2.gz OLIQQQSQJQLMFI-JJLTYULESA-N -1 3 524.643 4.073 1 0 KIAFHM COc1ccc([C@H]2[C@H](C)[C@]3(C[C@@H](c4ccc(OC)cc4)N2C(C)=O)SC([N-]C(C)=O)=NN3C(C)=O)cc1 ZINC000103280226 562823425 /nfs/dbraw/zinc/82/34/25/562823425.db2.gz OLIQQQSQJQLMFI-MAYPLETRSA-N -1 3 524.643 4.073 1 0 KIAFHM COc1ccc([C@@H]2C[C@]3(SC([N-]C(C)=O)=NN3C(C)=O)[C@H](C)[C@@H](c3ccc(OC)cc3)N2C(C)=O)cc1 ZINC000103280228 562823482 /nfs/dbraw/zinc/82/34/82/562823482.db2.gz OLIQQQSQJQLMFI-GAAZCISXSA-N -1 3 524.643 4.073 1 0 KIAFHM COc1ccc([C@@H]2C[C@]3(SC([N-]C(C)=O)=NN3C(C)=O)[C@@H](C)[C@@H](c3ccc(OC)cc3)N2C(C)=O)cc1 ZINC000103280231 562823474 /nfs/dbraw/zinc/82/34/74/562823474.db2.gz OLIQQQSQJQLMFI-AHNGBTAHSA-N -1 3 524.643 4.073 1 0 KIAFHM COC(=O)N(OC)c1ccccc1Cn1c(C)nn(-c2cc([N-]S(=O)(=O)c3ccccc3)c(Cl)cc2F)c1=O ZINC000103290732 562824148 /nfs/dbraw/zinc/82/41/48/562824148.db2.gz QMXHIIKRJLMGST-UHFFFAOYSA-N -1 3 576.006 4.118 1 0 KIAFHM CO/C=C(/C(=O)OC)c1ccccc1Cn1c(C)nn(-c2cc([N-]S(=O)(=O)c3ccccc3)c(Cl)cc2F)c1=O ZINC000103290808 562824155 /nfs/dbraw/zinc/82/41/55/562824155.db2.gz RFCGICSVYVJSMF-LTGZKZEYSA-N -1 3 587.029 4.144 1 0 KIAFHM COc1ccc(-n2nc(C(C)(C)C)cc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000113482677 562826492 /nfs/dbraw/zinc/82/64/92/562826492.db2.gz XHJSLRDLCDWYCJ-INIZCTEOSA-N -1 3 502.612 4.109 1 0 KIAFHM COc1ccc(-n2nc(C(C)(C)C)cc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000113482679 562826524 /nfs/dbraw/zinc/82/65/24/562826524.db2.gz XHJSLRDLCDWYCJ-MRXNPFEDSA-N -1 3 502.612 4.109 1 0 KIAFHM C[C@@H](C(=O)NCc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000113486552 562826555 /nfs/dbraw/zinc/82/65/55/562826555.db2.gz QSMNOKNPEPLVBN-GFCCVEGCSA-N -1 3 518.920 4.475 1 0 KIAFHM C[C@H](C(=O)NCc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000113486554 562826564 /nfs/dbraw/zinc/82/65/64/562826564.db2.gz QSMNOKNPEPLVBN-LBPRGKRZSA-N -1 3 518.920 4.475 1 0 KIAFHM C[C@@H](C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000113487875 562826542 /nfs/dbraw/zinc/82/65/42/562826542.db2.gz REFSKWWRGFCGDO-GFCCVEGCSA-N -1 3 518.920 4.475 1 0 KIAFHM C[C@H](C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000113487877 562826560 /nfs/dbraw/zinc/82/65/60/562826560.db2.gz REFSKWWRGFCGDO-LBPRGKRZSA-N -1 3 518.920 4.475 1 0 KIAFHM COc1ncnc2[nH]cc(C(=O)c3c(F)ccc([N-]S(=O)(=O)c4ccc(C(F)(F)F)cc4)c3F)c21 ZINC000113490679 562826584 /nfs/dbraw/zinc/82/65/84/562826584.db2.gz CQCHGINJELMJDM-UHFFFAOYSA-N -1 3 512.416 4.295 1 0 KIAFHM O=c1n2c(ccn1Cc1ccccc1)ncc2-c1cnc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000113764893 562826725 /nfs/dbraw/zinc/82/67/25/562826725.db2.gz LJDVGNJQONKGPF-UHFFFAOYSA-N -1 3 509.950 4.200 1 0 KIAFHM C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[n-]1)C(=O)N(CCN(C)C)C3 ZINC000113834104 562826854 /nfs/dbraw/zinc/82/68/54/562826854.db2.gz LRJJEMRURFIKDD-ZDUSSCGKSA-N -1 3 542.537 4.035 1 0 KIAFHM C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[n-]1)CN(CCN(C)C)C3=O ZINC000113834104 562826853 /nfs/dbraw/zinc/82/68/53/562826853.db2.gz LRJJEMRURFIKDD-ZDUSSCGKSA-N -1 3 542.537 4.035 1 0 KIAFHM COCCC(=O)Oc1nnc(-c2cc(C(C)C)c(OC(=O)CCOC)cc2[O-])n1-c1ccc2c(ccn2C)c1 ZINC000115808948 562829020 /nfs/dbraw/zinc/82/90/20/562829020.db2.gz PHZABDUYNKJYCK-UHFFFAOYSA-N -1 3 536.585 4.139 1 0 KIAFHM CN[C@@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccc(Br)cc1 ZINC000136803196 562831259 /nfs/dbraw/zinc/83/12/59/562831259.db2.gz ISGSJNKPLMEYBU-LFPVYJDNSA-N -1 3 552.554 4.360 1 0 KIAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccc(Br)cc1 ZINC000136803237 562831261 /nfs/dbraw/zinc/83/12/61/562831261.db2.gz ISGSJNKPLMEYBU-BMFOWHTDSA-N -1 3 552.554 4.360 1 0 KIAFHM COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cc(F)ccc2[N-]S(C)(=O)=O)n1 ZINC000138528471 562832056 /nfs/dbraw/zinc/83/20/56/562832056.db2.gz ZXPHTEZZEUECNB-UHFFFAOYSA-N -1 3 612.606 4.375 1 0 KIAFHM CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)(C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000138722203 562832127 /nfs/dbraw/zinc/83/21/27/562832127.db2.gz XCUBPGSXTUDSLA-UHFFFAOYSA-N -1 3 530.588 4.441 1 0 KIAFHM CCCCC1(CCCC)CS(=O)(=O)c2cc(CNCC(=O)[O-])c(OC)cc2[C@H](c2ccccc2)N1 ZINC000139496903 562832544 /nfs/dbraw/zinc/83/25/44/562832544.db2.gz KBZOLELTOAPIRR-SANMLTNESA-N -1 3 502.677 4.455 1 0 KIAFHM CCCCC1(CCCC)CS(=O)(=O)c2cc(CNCC(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000139497037 562832529 /nfs/dbraw/zinc/83/25/29/562832529.db2.gz KBZOLELTOAPIRR-AREMUKBSSA-N -1 3 502.677 4.455 1 0 KIAFHM O=C(CN1CC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1)N1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000142445060 562834220 /nfs/dbraw/zinc/83/42/20/562834220.db2.gz YIIREBCUCVVAIY-JOCHJYFZSA-N -1 3 537.035 4.461 1 0 KIAFHM O=C(CN1CC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1)N1CCN(c2ccc(-c3ccccc3)cc2)CC1 ZINC000142451091 562834203 /nfs/dbraw/zinc/83/42/03/562834203.db2.gz TWFINIJCRDJMKR-HSZRJFAPSA-N -1 3 519.045 4.322 1 0 KIAFHM O=C(CN1CC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1)N1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC000142460086 562834207 /nfs/dbraw/zinc/83/42/07/562834207.db2.gz YDUJRZJIOJAZTL-JOCHJYFZSA-N -1 3 537.035 4.461 1 0 KIAFHM COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2[N-]S(C)(=O)=O)n1 ZINC000142845866 562834372 /nfs/dbraw/zinc/83/43/72/562834372.db2.gz FHYNMNAJFXUBKP-UHFFFAOYSA-N -1 3 594.616 4.235 1 0 KIAFHM CCOC(=O)N[C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cn(C)cn3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143193791 562834720 /nfs/dbraw/zinc/83/47/20/562834720.db2.gz IXIUBUSABBDIMN-XUZZJYLKSA-N -1 3 581.522 4.471 1 0 KIAFHM CCOC(=O)N[C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cn(C)cn3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143193993 562834718 /nfs/dbraw/zinc/83/47/18/562834718.db2.gz IXIUBUSABBDIMN-URXFXBBRSA-N -1 3 581.522 4.471 1 0 KIAFHM CCOC(=O)N[C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cn(C)cn3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143194197 562834715 /nfs/dbraw/zinc/83/47/15/562834715.db2.gz IXIUBUSABBDIMN-ZJSXRUAMSA-N -1 3 581.522 4.471 1 0 KIAFHM CCOC(=O)N[C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cn(C)cn3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143194406 562834699 /nfs/dbraw/zinc/83/46/99/562834699.db2.gz IXIUBUSABBDIMN-QPPBQGQZSA-N -1 3 581.522 4.471 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCC[C@@H]1C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145269275 562836948 /nfs/dbraw/zinc/83/69/48/562836948.db2.gz JTMJWSUVIGJNNC-LSDHHAIUSA-N -1 3 516.561 4.410 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145521883 562837289 /nfs/dbraw/zinc/83/72/89/562837289.db2.gz CJSBNILOOMHFTQ-CQSZACIVSA-N -1 3 518.989 4.291 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145522114 562837272 /nfs/dbraw/zinc/83/72/72/562837272.db2.gz CJSBNILOOMHFTQ-AWEZNQCLSA-N -1 3 518.989 4.291 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1OCc1cccnc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145895362 562837712 /nfs/dbraw/zinc/83/77/12/562837712.db2.gz HAZWPYOEOWTTIB-CQSZACIVSA-N -1 3 542.967 4.274 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1OCc1cccnc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145895547 562837700 /nfs/dbraw/zinc/83/77/00/562837700.db2.gz HAZWPYOEOWTTIB-AWEZNQCLSA-N -1 3 542.967 4.274 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc2c(c1)OCO2)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146067407 562838106 /nfs/dbraw/zinc/83/81/06/562838106.db2.gz WTGHFNIHIPUBOT-CYBMUJFWSA-N -1 3 539.507 4.427 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc2c(c1)OCO2)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146067602 562838093 /nfs/dbraw/zinc/83/80/93/562838093.db2.gz WTGHFNIHIPUBOT-ZDUSSCGKSA-N -1 3 539.507 4.427 1 0 KIAFHM C[C@@H](C(=O)NCc1ncc(C(F)(F)F)cc1N1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146071350 562838126 /nfs/dbraw/zinc/83/81/26/562838126.db2.gz ANZHWVIXASKFRS-CQSZACIVSA-N -1 3 502.534 4.021 1 0 KIAFHM C[C@H](C(=O)NCc1ncc(C(F)(F)F)cc1N1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146071537 562838135 /nfs/dbraw/zinc/83/81/35/562838135.db2.gz ANZHWVIXASKFRS-AWEZNQCLSA-N -1 3 502.534 4.021 1 0 KIAFHM CCc1cc([O-])c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)CN(S(=O)(=O)c1ccc(N3CCOCC3)nc1)CC2 ZINC000146149938 562838348 /nfs/dbraw/zinc/83/83/48/562838348.db2.gz IMRNHDKHIFRPST-UHFFFAOYSA-N -1 3 603.680 4.006 1 0 KIAFHM CCc1cc([O-])c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)CCN(S(=O)(=O)c1ccc(N3CCOCC3)nc1)C2 ZINC000146149938 562838347 /nfs/dbraw/zinc/83/83/47/562838347.db2.gz IMRNHDKHIFRPST-UHFFFAOYSA-N -1 3 603.680 4.006 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1OCc1ccccn1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146435795 562838557 /nfs/dbraw/zinc/83/85/57/562838557.db2.gz CMLPFRLVVCTBGY-CQSZACIVSA-N -1 3 542.967 4.274 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1OCc1ccccn1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146435973 562838596 /nfs/dbraw/zinc/83/85/96/562838596.db2.gz CMLPFRLVVCTBGY-AWEZNQCLSA-N -1 3 542.967 4.274 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC[C@@H](C)C1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146692391 562838785 /nfs/dbraw/zinc/83/87/85/562838785.db2.gz VROKCAQDHDZXMA-HUUCEWRRSA-N -1 3 516.561 4.267 1 0 KIAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc2c(c1)OCCO2)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146694641 562838793 /nfs/dbraw/zinc/83/87/93/562838793.db2.gz OCKHIIBHALEUHI-CQSZACIVSA-N -1 3 553.534 4.469 1 0 KIAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc2c(c1)OCCO2)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146694807 562838805 /nfs/dbraw/zinc/83/88/05/562838805.db2.gz OCKHIIBHALEUHI-AWEZNQCLSA-N -1 3 553.534 4.469 1 0 KIAFHM COc1ccccc1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc([O-])c(NC(C)=O)c4)c3c2)C1 ZINC000147762345 562839566 /nfs/dbraw/zinc/83/95/66/562839566.db2.gz BUIJYSQIDBDARM-JOCHJYFZSA-N -1 3 513.598 4.297 1 0 KIAFHM CC(=O)Nc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCCN(Cc5ccccc5F)C4)cc32)ccc1[O-] ZINC000147810013 562839645 /nfs/dbraw/zinc/83/96/45/562839645.db2.gz MERUZMAMYRIGMP-OAQYLSRUSA-N -1 3 501.562 4.427 1 0 KIAFHM COc1cccc(F)c1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc([O-])c(NC(C)=O)c4)c3c2)C1 ZINC000147819859 562839716 /nfs/dbraw/zinc/83/97/16/562839716.db2.gz YHCWYYRKWKJVAD-HXUWFJFHSA-N -1 3 531.588 4.436 1 0 KIAFHM [NH3+][C@@H](Cc1cc(Br)c(Oc2ccc([O-])c(I)c2)c(Br)c1)C(=O)[O-] ZINC000148018407 562839828 /nfs/dbraw/zinc/83/98/28/562839828.db2.gz MWIKBVDIOXFCQL-LBPRGKRZSA-N -1 3 556.976 4.269 1 0 KIAFHM [NH3+][C@H](Cc1cc(Br)c(Oc2ccc([O-])c(I)c2)c(Br)c1)C(=O)[O-] ZINC000148018576 562839846 /nfs/dbraw/zinc/83/98/46/562839846.db2.gz MWIKBVDIOXFCQL-GFCCVEGCSA-N -1 3 556.976 4.269 1 0 KIAFHM CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4ccccc4)cc2)c([O-])c13 ZINC000148054933 562840047 /nfs/dbraw/zinc/84/00/47/562840047.db2.gz SBFUBWXMWXCLMP-MBYALERHSA-N -1 3 510.634 4.014 1 0 KIAFHM COc1ccc(C[C@@H](CO)NC(=O)c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[n-]3)cc2)cc1 ZINC000148084267 562840188 /nfs/dbraw/zinc/84/01/88/562840188.db2.gz PHPHGUFLUSPVHG-NRFANRHFSA-N -1 3 522.561 4.323 1 0 KIAFHM CC(C)(C)OC(=O)N1CCC(n2cc([N-]c3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)cn2)CC1 ZINC000148177473 562840459 /nfs/dbraw/zinc/84/04/59/562840459.db2.gz RIMSDVSUOWUBJO-UHFFFAOYSA-N -1 3 537.646 4.312 1 0 KIAFHM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N(C)CCN(C)C)nc32)c1 ZINC000148190685 562840481 /nfs/dbraw/zinc/84/04/81/562840481.db2.gz APRLZYSRWACYES-UHFFFAOYSA-N -1 3 635.795 4.400 1 0 KIAFHM COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccc(CC(=O)[O-])cc2)n1 ZINC000148440690 562841326 /nfs/dbraw/zinc/84/13/26/562841326.db2.gz MSGOSCMVJJFSPG-UHFFFAOYSA-N -1 3 559.545 4.491 1 0 KIAFHM COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2CS(=O)(=O)[N-]3)n1 ZINC000148466663 562841418 /nfs/dbraw/zinc/84/14/18/562841418.db2.gz LYLMKOCCIJLDCM-UHFFFAOYSA-N -1 3 592.600 4.119 1 0 KIAFHM COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2CS(=O)(=O)[N-]3)n1 ZINC000148468154 562841422 /nfs/dbraw/zinc/84/14/22/562841422.db2.gz DETYLJYZESWNOJ-UHFFFAOYSA-N -1 3 610.590 4.258 1 0 KIAFHM O=C(CN1CC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1)N1CCN(c2ccc(-c3ccccc3F)cc2)CC1 ZINC000148737042 562841724 /nfs/dbraw/zinc/84/17/24/562841724.db2.gz PMQZCTFZDGONBS-OAQYLSRUSA-N -1 3 537.035 4.461 1 0 KIAFHM O=C(CN1CC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1)N1CCN(c2ccc(-c3cccs3)cc2)CC1 ZINC000148737264 562841700 /nfs/dbraw/zinc/84/17/00/562841700.db2.gz IUPWVMNTUIGAKG-HXUWFJFHSA-N -1 3 525.074 4.383 1 0 KIAFHM COc1ccc(-c2ccc(N3CCN(C(=O)CN4CC[C@@H](C(=O)Nc5ccc([O-])c(Cl)c5)C4)CC3)cc2)cc1 ZINC000148740102 562841744 /nfs/dbraw/zinc/84/17/44/562841744.db2.gz IENGFJPUQKIIMW-HSZRJFAPSA-N -1 3 549.071 4.330 1 0 KIAFHM O=C(CN1CC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1)N1CCN(c2ccc(-c3ccsc3)cc2)CC1 ZINC000148740302 562841712 /nfs/dbraw/zinc/84/17/12/562841712.db2.gz XYFCSVNWTFZYSC-HXUWFJFHSA-N -1 3 525.074 4.383 1 0 KIAFHM COCC[N-]S(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1ccccc1Cl ZINC000149300083 562842571 /nfs/dbraw/zinc/84/25/71/562842571.db2.gz CRXDMRYJOBRNBS-UHFFFAOYSA-N -1 3 587.077 4.210 1 0 KIAFHM CC[N-]S(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1ccc(F)cc1C ZINC000149327364 562842584 /nfs/dbraw/zinc/84/25/84/562842584.db2.gz KNNSYKGPBQCOCI-UHFFFAOYSA-N -1 3 554.623 4.378 1 0 KIAFHM CC[N-]S(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccccc3)CC1)c2Nc1ccc(F)cc1C ZINC000149332985 562842595 /nfs/dbraw/zinc/84/25/95/562842595.db2.gz XHYLSDKLGQTASM-UHFFFAOYSA-N -1 3 536.633 4.238 1 0 KIAFHM O=C(C[C@H]1NC(=O)[N-]C1=O)Nc1ccccc1N1CCN(C(=O)[C@]2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1 ZINC000150524000 562843660 /nfs/dbraw/zinc/84/36/60/562843660.db2.gz IVMFHRPDIPCCAI-NYFMKLKXSA-N -1 3 761.680 4.058 1 0 KIAFHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccccc1N1CCN(C(=O)[C@]2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1 ZINC000150524003 562843687 /nfs/dbraw/zinc/84/36/87/562843687.db2.gz IVMFHRPDIPCCAI-UBOZLPQGSA-N -1 3 761.680 4.058 1 0 KIAFHM O=C(C[C@H]1NC(=O)[N-]C1=O)Nc1ccccc1N1CCN(C(=O)[C@@]2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1 ZINC000150524007 562843667 /nfs/dbraw/zinc/84/36/67/562843667.db2.gz IVMFHRPDIPCCAI-UTONBFNKSA-N -1 3 761.680 4.058 1 0 KIAFHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccccc1N1CCN(C(=O)[C@@]2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1 ZINC000150524010 562843684 /nfs/dbraw/zinc/84/36/84/562843684.db2.gz IVMFHRPDIPCCAI-OOOSNSGVSA-N -1 3 761.680 4.058 1 0 KIAFHM COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[N-]S(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](N)C(=O)N4C3)cc(-c3nc(C4CC4)cs3)nc2c1C ZINC000150564990 562844957 /nfs/dbraw/zinc/84/49/57/562844957.db2.gz SWJCDXQPDMDWGO-RYUROBMXSA-N -1 3 762.955 4.232 1 0 KIAFHM CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1cc(O)ccc1[O-])C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)Cc1ccc(I)cc1I ZINC000150583535 562845671 /nfs/dbraw/zinc/84/56/71/562845671.db2.gz QPBNWUXUYXNOME-YCVJPRETSA-N -1 3 875.587 4.098 1 0 KIAFHM C[C@@H](NC(=O)c1cc(OS(=O)(=O)Cc2ccccc2)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)n1)c1ccccc1 ZINC000150594174 562846485 /nfs/dbraw/zinc/84/64/85/562846485.db2.gz UYJLDGJSVBEVDM-ZQISIDMISA-N -1 3 760.833 4.002 1 0 KIAFHM C[C@@H](NC(=O)c1cc(OS(=O)(=O)Cc2ccccc2)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)n1)c1ccccc1 ZINC000150594174 562846484 /nfs/dbraw/zinc/84/64/84/562846484.db2.gz UYJLDGJSVBEVDM-ZQISIDMISA-N -1 3 760.833 4.002 1 0 KIAFHM CC(C)Sc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)nc(C(=O)N2COC[C@@H]2c2ccccc2)c1 ZINC000150594214 562846506 /nfs/dbraw/zinc/84/65/06/562846506.db2.gz DAEDWFVZDBSCRL-YXQUNVLPSA-N -1 3 692.802 4.274 1 0 KIAFHM CC(C)Sc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)nc(C(=O)N2COC[C@@H]2c2ccccc2)c1 ZINC000150594214 562846505 /nfs/dbraw/zinc/84/65/05/562846505.db2.gz DAEDWFVZDBSCRL-YXQUNVLPSA-N -1 3 692.802 4.274 1 0 KIAFHM O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cc(=O)cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)o1 ZINC000150594334 562846527 /nfs/dbraw/zinc/84/65/27/562846527.db2.gz QGCMZGOICUFJSF-VBTAUBHQSA-N -1 3 683.725 4.003 1 0 KIAFHM O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cc(=O)cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)o1 ZINC000150594334 562846526 /nfs/dbraw/zinc/84/65/26/562846526.db2.gz QGCMZGOICUFJSF-VBTAUBHQSA-N -1 3 683.725 4.003 1 0 KIAFHM CCCCCOC(=O)[C@H](CC(C)C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O)Oc1cccc2ccccc21 ZINC000150596104 562846671 /nfs/dbraw/zinc/84/66/71/562846671.db2.gz MHPOHXSIZXXRKT-WHCVJNKVSA-N -1 3 635.626 4.419 1 0 KIAFHM CC(C)C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O)Oc1cccc2ccccc21)C(=O)OCc1ccccc1 ZINC000150598739 562846879 /nfs/dbraw/zinc/84/68/79/562846879.db2.gz ZOVXNTSJWCABQI-OMGUTMSRSA-N -1 3 655.616 4.429 1 0 KIAFHM CCCCCOC(=O)[C@@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O)Oc1cccc2ccccc21)[C@@H](C)CC ZINC000150600035 562847085 /nfs/dbraw/zinc/84/70/85/562847085.db2.gz DJFANKJZPRGUCT-UAQUQGHWSA-N -1 3 635.626 4.419 1 0 KIAFHM O=C1[C@@H]2C(c3ccccc3F)=NOC2=C([O-])N1c1ccc(Cc2ccc(-n3c(O)c4onc(-c5ccccc5F)c4c3O)cc2)cc1 ZINC000150601407 562847247 /nfs/dbraw/zinc/84/72/47/562847247.db2.gz LLZTYJVPCBWBAV-AKAXLSRLSA-N -1 3 632.579 4.141 1 0 KIAFHM O=C1[C@H]2C(c3ccccc3F)=NOC2=C([O-])N1c1ccc(Cc2ccc(-n3c(O)c4onc(-c5ccccc5F)c4c3O)cc2)cc1 ZINC000150601407 562847246 /nfs/dbraw/zinc/84/72/46/562847246.db2.gz LLZTYJVPCBWBAV-AKAXLSRLSA-N -1 3 632.579 4.141 1 0 KIAFHM COCCN1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc([N-]S(C)(=O)=O)c5OC)ccc4C)c3n2)CC1 ZINC000165279611 562850073 /nfs/dbraw/zinc/85/00/73/562850073.db2.gz RGXXEFXEAUYLOS-UHFFFAOYSA-N -1 3 677.832 4.170 1 0 KIAFHM Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCN(C)CC3)nc21 ZINC000166180277 562850403 /nfs/dbraw/zinc/85/04/03/562850403.db2.gz TXFXDQZLMXKLSM-UHFFFAOYSA-N -1 3 558.590 4.043 1 0 KIAFHM COc1ccc([C@@H]2[C@H]3CCC[C@@H]([C@@H](c4ccc(OC)cc4)N2C(C)=O)C32SC([N-]C(C)=O)=NN2C(C)=O)cc1 ZINC000169296018 562852422 /nfs/dbraw/zinc/85/24/22/562852422.db2.gz VDJZQLKVYSERED-SBNAKLSLSA-N -1 3 550.681 4.463 1 0 KIAFHM CCOC(=O)[C@@H]1[C@H](c2ccccc2OC)N[C@@H](c2ccccc2OC)C(=C([O-])c2ccc(Cl)cc2)S1(=O)=O ZINC000169303502 562853215 /nfs/dbraw/zinc/85/32/15/562853215.db2.gz OXACWKCUDOCMKK-DROSFRCNSA-N -1 3 558.052 4.341 1 0 KIAFHM CCOC(=O)[C@@H]1[C@H](c2cccs2)N[C@@H](c2cccs2)C(=C([O-])c2ccc(Cl)cc2)S1(=O)=O ZINC000169305442 562853432 /nfs/dbraw/zinc/85/34/32/562853432.db2.gz LLEMSMCAGYJKDE-QIJZPMMNSA-N -1 3 510.058 4.447 1 0 KIAFHM [NH3+][C@H](Cc1cc(Br)c(Oc2ccc([O-])c(Br)c2)c(Br)c1)C(=O)[O-] ZINC000169342215 562860959 /nfs/dbraw/zinc/86/09/59/562860959.db2.gz ITTZHLAFGNDODX-GFCCVEGCSA-N -1 3 509.976 4.426 1 0 KIAFHM [NH3+][C@@H](Cc1cc(Br)c(Oc2ccc([O-])c(I)c2)c(I)c1)C(=O)[O-] ZINC000169342222 562860964 /nfs/dbraw/zinc/86/09/64/562860964.db2.gz IHSJSHFTLZJVNP-LBPRGKRZSA-N -1 3 603.976 4.111 1 0 KIAFHM [NH3+][C@H](Cc1cc(Br)c(Oc2ccc([O-])c(I)c2)c(I)c1)C(=O)[O-] ZINC000169342224 562860986 /nfs/dbraw/zinc/86/09/86/562860986.db2.gz IHSJSHFTLZJVNP-GFCCVEGCSA-N -1 3 603.976 4.111 1 0 KIAFHM Cc1cc([O-])c(I)cc1Oc1c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc1I ZINC000169345422 562861595 /nfs/dbraw/zinc/86/15/95/562861595.db2.gz PXIOMJSIQUTWMS-GFCCVEGCSA-N -1 3 665.003 4.261 1 0 KIAFHM [NH3+][C@H](Cc1cc(I)c(Sc2ccc([O-])c(I)c2)c(I)c1)C(=O)[O-] ZINC000169346248 562861745 /nfs/dbraw/zinc/86/17/45/562861745.db2.gz MKONWMOTNXRIPL-GFCCVEGCSA-N -1 3 667.044 4.312 1 0 KIAFHM O=C([N-]CCN1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(O)cc6)nc5c4)nc3c2)CC1)C(F)(F)F ZINC000169352519 562863111 /nfs/dbraw/zinc/86/31/11/562863111.db2.gz KLZBMBYHJIFRFK-UHFFFAOYSA-N -1 3 549.557 4.279 1 0 KIAFHM CC(=O)Nc1cc(-c2c(C)cccc2C)cc2nnc([N-]c3ccc(C(=O)NCCN4CCCC4)o3)nc21 ZINC000169694143 562865216 /nfs/dbraw/zinc/86/52/16/562865216.db2.gz PDGSDMDSBVRRMY-UHFFFAOYSA-N -1 3 513.602 4.429 1 0 KIAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cc(Cl)cc([N-]S(C)(=O)=O)c2)n1 ZINC000169694635 562865477 /nfs/dbraw/zinc/86/54/77/562865477.db2.gz KUJRMMJLCRLYFR-ZDUSSCGKSA-N -1 3 536.058 4.013 1 0 KIAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cc(Cl)cc([N-]S(=O)(=O)C3CC3)c2F)n1 ZINC000169694657 562865528 /nfs/dbraw/zinc/86/55/28/562865528.db2.gz PSDDRKAIAAMWIZ-LBPRGKRZSA-N -1 3 564.043 4.264 1 0 KIAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc([N-]S(=O)(=O)C3CC3)c2F)n1 ZINC000169694657 562865527 /nfs/dbraw/zinc/86/55/27/562865527.db2.gz PSDDRKAIAAMWIZ-LBPRGKRZSA-N -1 3 564.043 4.264 1 0 KIAFHM CCS(=O)(=O)[N-]c1cc(Cl)cc(-c2[nH]c(C3CC3)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F ZINC000169694658 562865564 /nfs/dbraw/zinc/86/55/64/562865564.db2.gz PWMKVDVQZIUERF-LBPRGKRZSA-N -1 3 552.032 4.122 1 0 KIAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cc(Cl)cc([N-]S(C)(=O)=O)c2F)n1 ZINC000169694667 562865568 /nfs/dbraw/zinc/86/55/68/562865568.db2.gz UZKYBQWCLIZKEQ-LBPRGKRZSA-N -1 3 554.048 4.152 1 0 KIAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(Cl)cc([N-]S(C)(=O)=O)c2F)n1 ZINC000169694667 562865567 /nfs/dbraw/zinc/86/55/67/562865567.db2.gz UZKYBQWCLIZKEQ-LBPRGKRZSA-N -1 3 554.048 4.152 1 0 KIAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C3CCC3)nc2-c2cc(Cl)cc([N-]S(C)(=O)=O)c2F)n1 ZINC000169694684 562865578 /nfs/dbraw/zinc/86/55/78/562865578.db2.gz PWHZZYHTPVVWLA-LBPRGKRZSA-N -1 3 552.032 4.122 1 0 KIAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CCC3)[nH]c2-c2cc(Cl)cc([N-]S(C)(=O)=O)c2F)n1 ZINC000169694684 562865577 /nfs/dbraw/zinc/86/55/77/562865577.db2.gz PWHZZYHTPVVWLA-LBPRGKRZSA-N -1 3 552.032 4.122 1 0 KIAFHM CCCS(=O)(=O)[N-]c1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F ZINC000169694695 562865610 /nfs/dbraw/zinc/86/56/10/562865610.db2.gz CHJFAVOOXFQRMK-HNNXBMFYSA-N -1 3 547.657 4.278 1 0 KIAFHM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(C4=NCCS4)cc3)[C@@H]2c2ccccc2OC)cc1 ZINC000169694874 562865697 /nfs/dbraw/zinc/86/56/97/562865697.db2.gz DMZDHFRORPFZGT-DNQXCXABSA-N -1 3 500.576 4.353 1 0 KIAFHM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(C4=NCCS4)cc3)[C@@H]2c2ccccc2OC)cc1 ZINC000169694875 562865672 /nfs/dbraw/zinc/86/56/72/562865672.db2.gz DMZDHFRORPFZGT-BJKOFHAPSA-N -1 3 500.576 4.353 1 0 KIAFHM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(C4=NCCS4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000169694876 562865700 /nfs/dbraw/zinc/86/57/00/562865700.db2.gz DMZDHFRORPFZGT-RPWUZVMVSA-N -1 3 500.576 4.353 1 0 KIAFHM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(C4=NCCS4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000169694877 562865691 /nfs/dbraw/zinc/86/56/91/562865691.db2.gz DMZDHFRORPFZGT-ZEQRLZLVSA-N -1 3 500.576 4.353 1 0 KIAFHM CNC(=O)COc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695194 562865731 /nfs/dbraw/zinc/86/57/31/562865731.db2.gz NYUJUCLIXKCVEQ-DNQXCXABSA-N -1 3 504.608 4.428 1 0 KIAFHM CNC(=O)COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695195 562865775 /nfs/dbraw/zinc/86/57/75/562865775.db2.gz NYUJUCLIXKCVEQ-RPWUZVMVSA-N -1 3 504.608 4.428 1 0 KIAFHM CNC(=O)COc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695196 562865729 /nfs/dbraw/zinc/86/57/29/562865729.db2.gz NYUJUCLIXKCVEQ-BJKOFHAPSA-N -1 3 504.608 4.428 1 0 KIAFHM CNC(=O)COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695197 562865739 /nfs/dbraw/zinc/86/57/39/562865739.db2.gz NYUJUCLIXKCVEQ-ZEQRLZLVSA-N -1 3 504.608 4.428 1 0 KIAFHM COC(=O)COCc1ncccc1[C@@H]1C(C(=O)C(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695311 562865763 /nfs/dbraw/zinc/86/57/63/562865763.db2.gz KKEPIHUSMNAPLF-DNQXCXABSA-N -1 3 520.607 4.388 1 0 KIAFHM COC(=O)COCc1ncccc1[C@H]1C(C(=O)C(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695312 562865789 /nfs/dbraw/zinc/86/57/89/562865789.db2.gz KKEPIHUSMNAPLF-RPWUZVMVSA-N -1 3 520.607 4.388 1 0 KIAFHM COC(=O)COCc1ncccc1[C@@H]1C(C(=O)C(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695313 562865799 /nfs/dbraw/zinc/86/57/99/562865799.db2.gz KKEPIHUSMNAPLF-BJKOFHAPSA-N -1 3 520.607 4.388 1 0 KIAFHM COC(=O)COCc1ncccc1[C@H]1C(C(=O)C(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695314 562865826 /nfs/dbraw/zinc/86/58/26/562865826.db2.gz KKEPIHUSMNAPLF-ZEQRLZLVSA-N -1 3 520.607 4.388 1 0 KIAFHM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(-c4ccsc4)cc3)[C@@H]2C2COC(C)(C)OC2)cn1 ZINC000169695664 562865808 /nfs/dbraw/zinc/86/58/08/562865808.db2.gz FCBODLDICMEZSC-DHIUTWEWSA-N -1 3 506.580 4.001 1 0 KIAFHM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(-c4ccsc4)cc3)[C@@H]2C2COC(C)(C)OC2)cn1 ZINC000169695664 562865807 /nfs/dbraw/zinc/86/58/07/562865807.db2.gz FCBODLDICMEZSC-DHIUTWEWSA-N -1 3 506.580 4.001 1 0 KIAFHM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(-c4ccsc4)cc3)[C@@H]2C2COC(C)(C)OC2)cn1 ZINC000169695665 562865787 /nfs/dbraw/zinc/86/57/87/562865787.db2.gz FCBODLDICMEZSC-XZOQPEGZSA-N -1 3 506.580 4.001 1 0 KIAFHM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(-c4ccsc4)cc3)[C@@H]2C2COC(C)(C)OC2)cn1 ZINC000169695665 562865786 /nfs/dbraw/zinc/86/57/86/562865786.db2.gz FCBODLDICMEZSC-XZOQPEGZSA-N -1 3 506.580 4.001 1 0 KIAFHM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(-c4ccsc4)cc3)[C@H]2C2COC(C)(C)OC2)cn1 ZINC000169695666 562865831 /nfs/dbraw/zinc/86/58/31/562865831.db2.gz FCBODLDICMEZSC-PKTZIBPZSA-N -1 3 506.580 4.001 1 0 KIAFHM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(-c4ccsc4)cc3)[C@H]2C2COC(C)(C)OC2)cn1 ZINC000169695666 562865830 /nfs/dbraw/zinc/86/58/30/562865830.db2.gz FCBODLDICMEZSC-PKTZIBPZSA-N -1 3 506.580 4.001 1 0 KIAFHM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(-c4ccsc4)cc3)[C@H]2C2COC(C)(C)OC2)cn1 ZINC000169695667 562865836 /nfs/dbraw/zinc/86/58/36/562865836.db2.gz FCBODLDICMEZSC-GOTSBHOMSA-N -1 3 506.580 4.001 1 0 KIAFHM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(-c4ccsc4)cc3)[C@H]2C2COC(C)(C)OC2)cn1 ZINC000169695667 562865835 /nfs/dbraw/zinc/86/58/35/562865835.db2.gz FCBODLDICMEZSC-GOTSBHOMSA-N -1 3 506.580 4.001 1 0 KIAFHM COCCCOc1ccccc1[C@@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696381 562866036 /nfs/dbraw/zinc/86/60/36/562866036.db2.gz MASDIXIQUWEPRS-JWQCQUIFSA-N -1 3 505.571 4.349 1 0 KIAFHM COCCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696382 562866012 /nfs/dbraw/zinc/86/60/12/562866012.db2.gz MASDIXIQUWEPRS-RPBOFIJWSA-N -1 3 505.571 4.349 1 0 KIAFHM COCCCOc1ccccc1[C@@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696383 562866004 /nfs/dbraw/zinc/86/60/04/562866004.db2.gz MASDIXIQUWEPRS-LOSJGSFVSA-N -1 3 505.571 4.349 1 0 KIAFHM COCCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696384 562866034 /nfs/dbraw/zinc/86/60/34/562866034.db2.gz MASDIXIQUWEPRS-DQEYMECFSA-N -1 3 505.571 4.349 1 0 KIAFHM CC(C)CC(=O)C1=C([O-])C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC(CO)CO ZINC000169696405 562866002 /nfs/dbraw/zinc/86/60/02/562866002.db2.gz BQVNRSZEHRLEDC-RRPNLBNLSA-N -1 3 521.635 4.283 1 0 KIAFHM CC(C)CC(=O)C1=C([O-])C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC(CO)CO ZINC000169696406 562865982 /nfs/dbraw/zinc/86/59/82/562865982.db2.gz BQVNRSZEHRLEDC-KAYWLYCHSA-N -1 3 521.635 4.283 1 0 KIAFHM CC(C)CC(=O)C1=C([O-])C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC(CO)CO ZINC000169696407 562866022 /nfs/dbraw/zinc/86/60/22/562866022.db2.gz BQVNRSZEHRLEDC-SVBPBHIXSA-N -1 3 521.635 4.283 1 0 KIAFHM CC(C)CC(=O)C1=C([O-])C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC(CO)CO ZINC000169696408 562865992 /nfs/dbraw/zinc/86/59/92/562865992.db2.gz BQVNRSZEHRLEDC-SXOMAYOGSA-N -1 3 521.635 4.283 1 0 KIAFHM Cc1nc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@@H]3c3ccccc3OC3CCOCC3)cc2)no1 ZINC000169696421 562866066 /nfs/dbraw/zinc/86/60/66/562866066.db2.gz DJPBURYKJXMQIH-RPWUZVMVSA-N -1 3 503.555 4.101 1 0 KIAFHM Cc1nc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@@H]3c3ccccc3OC3CCOCC3)cc2)no1 ZINC000169696422 562866098 /nfs/dbraw/zinc/86/60/98/562866098.db2.gz DJPBURYKJXMQIH-ZEQRLZLVSA-N -1 3 503.555 4.101 1 0 KIAFHM Cc1nc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@H]3c3ccccc3OC3CCOCC3)cc2)no1 ZINC000169696423 562866092 /nfs/dbraw/zinc/86/60/92/562866092.db2.gz DJPBURYKJXMQIH-DNQXCXABSA-N -1 3 503.555 4.101 1 0 KIAFHM Cc1nc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@H]3c3ccccc3OC3CCOCC3)cc2)no1 ZINC000169696424 562866096 /nfs/dbraw/zinc/86/60/96/562866096.db2.gz DJPBURYKJXMQIH-BJKOFHAPSA-N -1 3 503.555 4.101 1 0 KIAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N3CCOCC3)cc2)o1 ZINC000169696595 562866212 /nfs/dbraw/zinc/86/62/12/562866212.db2.gz ODXNXQDRNKHLPZ-FTJBHMTQSA-N -1 3 514.578 4.226 1 0 KIAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N3CCOCC3)cc2)o1 ZINC000169696596 562866168 /nfs/dbraw/zinc/86/61/68/562866168.db2.gz ODXNXQDRNKHLPZ-UIOOFZCWSA-N -1 3 514.578 4.226 1 0 KIAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@H]3c3ccccc3C(=O)N3CCOCC3)cc2)o1 ZINC000169696597 562866196 /nfs/dbraw/zinc/86/61/96/562866196.db2.gz ODXNXQDRNKHLPZ-CLJLJLNGSA-N -1 3 514.578 4.226 1 0 KIAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@H]3c3ccccc3C(=O)N3CCOCC3)cc2)o1 ZINC000169696598 562866220 /nfs/dbraw/zinc/86/62/20/562866220.db2.gz ODXNXQDRNKHLPZ-IZZNHLLZSA-N -1 3 514.578 4.226 1 0 KIAFHM COCCNC(=O)c1ncccc1[C@@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696711 562866248 /nfs/dbraw/zinc/86/62/48/562866248.db2.gz QCPUGAZMZLLJIV-AOYPEHQESA-N -1 3 533.650 4.383 1 0 KIAFHM COCCNC(=O)c1ncccc1[C@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696712 562866228 /nfs/dbraw/zinc/86/62/28/562866228.db2.gz QCPUGAZMZLLJIV-RSXGOPAZSA-N -1 3 533.650 4.383 1 0 KIAFHM COCCNC(=O)c1ncccc1[C@@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696713 562866238 /nfs/dbraw/zinc/86/62/38/562866238.db2.gz QCPUGAZMZLLJIV-AZGAKELHSA-N -1 3 533.650 4.383 1 0 KIAFHM COCCNC(=O)c1ncccc1[C@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696714 562866232 /nfs/dbraw/zinc/86/62/32/562866232.db2.gz QCPUGAZMZLLJIV-AHWVRZQESA-N -1 3 533.650 4.383 1 0 KIAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@@H]3c3cccnc3C(=O)NCCN(C)C)cc2)s1 ZINC000169696719 562866323 /nfs/dbraw/zinc/86/63/23/562866323.db2.gz GJXRYTKFPOAMPJ-BDYUSTAISA-N -1 3 546.693 4.298 1 0 KIAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@@H]3c3cccnc3C(=O)NCCN(C)C)cc2)s1 ZINC000169696720 562866303 /nfs/dbraw/zinc/86/63/03/562866303.db2.gz GJXRYTKFPOAMPJ-VPUSJEBWSA-N -1 3 546.693 4.298 1 0 KIAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@H]3c3cccnc3C(=O)NCCN(C)C)cc2)s1 ZINC000169696721 562866318 /nfs/dbraw/zinc/86/63/18/562866318.db2.gz GJXRYTKFPOAMPJ-AHKZPQOWSA-N -1 3 546.693 4.298 1 0 KIAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@H]3c3cccnc3C(=O)NCCN(C)C)cc2)s1 ZINC000169696722 562866344 /nfs/dbraw/zinc/86/63/44/562866344.db2.gz GJXRYTKFPOAMPJ-XNMGPUDCSA-N -1 3 546.693 4.298 1 0 KIAFHM Cc1cc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N(C)CCO)cc2)cs1 ZINC000169696723 562866294 /nfs/dbraw/zinc/86/62/94/562866294.db2.gz FIFLEAPMPFILEA-RPBOFIJWSA-N -1 3 518.635 4.286 1 0 KIAFHM Cc1cc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N(C)CCO)cc2)cs1 ZINC000169696724 562866329 /nfs/dbraw/zinc/86/63/29/562866329.db2.gz FIFLEAPMPFILEA-DQEYMECFSA-N -1 3 518.635 4.286 1 0 KIAFHM Cc1cc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@H]3c3ccccc3C(=O)N(C)CCO)cc2)cs1 ZINC000169696725 562866311 /nfs/dbraw/zinc/86/63/11/562866311.db2.gz FIFLEAPMPFILEA-JWQCQUIFSA-N -1 3 518.635 4.286 1 0 KIAFHM Cc1cc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@H]3c3ccccc3C(=O)N(C)CCO)cc2)cs1 ZINC000169696726 562866337 /nfs/dbraw/zinc/86/63/37/562866337.db2.gz FIFLEAPMPFILEA-LOSJGSFVSA-N -1 3 518.635 4.286 1 0 KIAFHM COCCN(C)C(=O)c1ccccc1[C@@H]1C(C(=O)C(C)C)=C([O-])C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696731 562866292 /nfs/dbraw/zinc/86/62/92/562866292.db2.gz KDLQDYNCCPDIKO-IZZNHLLZSA-N -1 3 516.594 4.472 1 0 KIAFHM COCCN(C)C(=O)c1ccccc1[C@H]1C(C(=O)C(C)C)=C([O-])C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696732 562866284 /nfs/dbraw/zinc/86/62/84/562866284.db2.gz KDLQDYNCCPDIKO-UIOOFZCWSA-N -1 3 516.594 4.472 1 0 KIAFHM COCCN(C)C(=O)c1ccccc1[C@@H]1C(C(=O)C(C)C)=C([O-])C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696733 562866339 /nfs/dbraw/zinc/86/63/39/562866339.db2.gz KDLQDYNCCPDIKO-CLJLJLNGSA-N -1 3 516.594 4.472 1 0 KIAFHM COCCN(C)C(=O)c1ccccc1[C@H]1C(C(=O)C(C)C)=C([O-])C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696734 562866320 /nfs/dbraw/zinc/86/63/20/562866320.db2.gz KDLQDYNCCPDIKO-FTJBHMTQSA-N -1 3 516.594 4.472 1 0 KIAFHM Cc1nc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@@H]3c3ccccc3CCC(=O)NC(C)C)cc2)no1 ZINC000169696760 562866290 /nfs/dbraw/zinc/86/62/90/562866290.db2.gz QWXOCLXPZNZCFA-RPBOFIJWSA-N -1 3 516.598 4.001 1 0 KIAFHM Cc1nc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@@H]3c3ccccc3CCC(=O)NC(C)C)cc2)no1 ZINC000169696761 562866313 /nfs/dbraw/zinc/86/63/13/562866313.db2.gz QWXOCLXPZNZCFA-DQEYMECFSA-N -1 3 516.598 4.001 1 0 KIAFHM Cc1nc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@H]3c3ccccc3CCC(=O)NC(C)C)cc2)no1 ZINC000169696762 562866346 /nfs/dbraw/zinc/86/63/46/562866346.db2.gz QWXOCLXPZNZCFA-JWQCQUIFSA-N -1 3 516.598 4.001 1 0 KIAFHM Cc1nc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@H]3c3ccccc3CCC(=O)NC(C)C)cc2)no1 ZINC000169696763 562866288 /nfs/dbraw/zinc/86/62/88/562866288.db2.gz QWXOCLXPZNZCFA-LOSJGSFVSA-N -1 3 516.598 4.001 1 0 KIAFHM COc1cc(CC(=O)[N-]C(=N)SC(=N)CCSCCc2nnc(NC(=O)Cc3cc(OC)cc(OC)c3)s2)cc(OC)c1 ZINC000169697988 562866779 /nfs/dbraw/zinc/86/67/79/562866779.db2.gz IXYDZWZSFJUSIJ-UHFFFAOYSA-N -1 3 646.817 4.424 1 0 KIAFHM O=C(Cc1ccc(F)c([O-])c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698452 562867260 /nfs/dbraw/zinc/86/72/60/562867260.db2.gz LDTYJJGNGZMPPN-UHFFFAOYSA-N -1 3 520.590 4.101 1 0 KIAFHM O=C([O-])C1CC(N[C@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@H]2O)C1 ZINC000169700224 562867654 /nfs/dbraw/zinc/86/76/54/562867654.db2.gz IVNNCMRZQKFXQE-GLXDCOBASA-N -1 3 542.470 4.325 1 0 KIAFHM CNC(=O)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cc(Cl)cnc1OC(C)(C)C(=O)[O-] ZINC000169700263 562867631 /nfs/dbraw/zinc/86/76/31/562867631.db2.gz GDKORIPRSJAYBE-ASHZAFPQSA-N -1 3 561.466 4.025 1 0 KIAFHM O=S(=O)([N-]c1cc(-c2ccc3ncnc(OC4CCOCC4)c3n2)cnc1Cl)c1ccc(F)cc1F ZINC000169700778 562867730 /nfs/dbraw/zinc/86/77/30/562867730.db2.gz PEHVSVSYATZDNB-UHFFFAOYSA-N -1 3 533.944 4.377 1 0 KIAFHM O=S(=O)([N-]c1cc(-c2ccc3ncnc(NC4CCOCC4)c3n2)cnc1Cl)c1ccc(F)cc1F ZINC000169700781 562867763 /nfs/dbraw/zinc/86/77/63/562867763.db2.gz FGVFKGACELNWGS-UHFFFAOYSA-N -1 3 532.960 4.410 1 0 KIAFHM CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(S(=O)(=O)[N-]c3ccc(N4CCCCC4)cc3)c2)CC1 ZINC000169703429 562868787 /nfs/dbraw/zinc/86/87/87/562868787.db2.gz WSLPNSLOAVFHRC-UHFFFAOYSA-N -1 3 592.784 4.403 1 0 KIAFHM CCN(CC)c1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NCC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1 ZINC000169703430 562868783 /nfs/dbraw/zinc/86/87/83/562868783.db2.gz ANKFREQTQATETM-UHFFFAOYSA-N -1 3 580.773 4.259 1 0 KIAFHM CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(S(=O)(=O)[N-]c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2)CC1 ZINC000169703435 562868769 /nfs/dbraw/zinc/86/87/69/562868769.db2.gz AKCQQLSPZGYWSN-UHFFFAOYSA-N -1 3 693.889 4.470 1 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/nfs/dbraw/zinc/90/29/15/562902915.db2.gz WCDJTOYKVWZFFO-QQMNAOGKSA-N -1 3 528.028 4.242 1 0 KIAFHM CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)nc2c1N[C@H]1CC[C@H](NC(=O)[C@H](N)C(C)C)CC1 ZINC000473165286 562902924 /nfs/dbraw/zinc/90/29/24/562902924.db2.gz WCDJTOYKVWZFFO-SEPYTNNBSA-N -1 3 528.028 4.242 1 0 KIAFHM CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)CN(C)C)CC1 ZINC000473183015 562903542 /nfs/dbraw/zinc/90/35/42/562903542.db2.gz JIDVAKCPPLPVFD-WGSAOQKQSA-N -1 3 513.013 4.425 1 0 KIAFHM CN(C)[C@H]1CC[C@H](Nc2c(S(C)(=O)=O)cnc3ccc(-c4cc(Cl)c([O-])c(Cl)c4)nc32)CC1 ZINC000473213462 562903847 /nfs/dbraw/zinc/90/38/47/562903847.db2.gz DUOGJSFDZHFFRO-SHTZXODSSA-N -1 3 509.459 4.419 1 0 KIAFHM CN(C)C[C@H]1CC[C@H](Nc2c(S(C)(=O)=O)cnc3ccc(-c4cc(F)c([O-])c(Cl)c4)nc32)CC1 ZINC000473213468 562903882 /nfs/dbraw/zinc/90/38/82/562903882.db2.gz GTXQGFILMNVEHB-KOMQPUFPSA-N -1 3 507.031 4.153 1 0 KIAFHM COc1cc(-c2ccc3ncc(S(C)(=O)=O)c(Nc4ccc(CN(C)C)cc4)c3n2)cc(Cl)c1[O-] 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ZINC000474608997 562905476 /nfs/dbraw/zinc/90/54/76/562905476.db2.gz NHIOMLRISKSZIR-UHFFFAOYSA-N -1 3 502.040 4.314 1 0 KIAFHM O=C1C(c2ccc([O-])cc2)=C(c2ccc(F)cc2)C(=O)N1CCCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000653692771 562906815 /nfs/dbraw/zinc/90/68/15/562906815.db2.gz IOLFFXZYTGIXAR-UHFFFAOYSA-N -1 3 578.540 4.468 1 0 KIAFHM COc1cc([C@@H]2Oc3cc([C@H]4Oc5cc(OCc6ccccc6)cc([O-])c5C(=O)[C@@H]4O)ccc3O[C@H]2CO)ccc1O ZINC000653703968 562907583 /nfs/dbraw/zinc/90/75/83/562907583.db2.gz VDACAOPMTDRTEZ-AIGPYBJDSA-N -1 3 572.566 4.236 1 0 KIAFHM COc1cc([C@@H]2Oc3cc([C@H]4Oc5cc(OCc6ccccc6)cc([O-])c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O ZINC000653703969 562907639 /nfs/dbraw/zinc/90/76/39/562907639.db2.gz VDACAOPMTDRTEZ-CDFDACKPSA-N -1 3 572.566 4.236 1 0 KIAFHM COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(OCc6ccccc6)cc([O-])c5C(=O)[C@@H]4O)ccc3O[C@H]2CO)ccc1O ZINC000653703970 562907585 /nfs/dbraw/zinc/90/75/85/562907585.db2.gz VDACAOPMTDRTEZ-GDWLNVSCSA-N -1 3 572.566 4.236 1 0 KIAFHM COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(OCc6ccccc6)cc([O-])c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O ZINC000653703971 562907628 /nfs/dbraw/zinc/90/76/28/562907628.db2.gz VDACAOPMTDRTEZ-PNEQTXRNSA-N -1 3 572.566 4.236 1 0 KIAFHM CCS(=O)(=O)N(Cc1ccccc1)c1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653716362 562908544 /nfs/dbraw/zinc/90/85/44/562908544.db2.gz RIPPGWQPCSZSKU-KRWDZBQOSA-N -1 3 616.659 4.387 1 0 KIAFHM CCS(=O)(=O)N(Cc1ccccc1)c1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653716363 562908562 /nfs/dbraw/zinc/90/85/62/562908562.db2.gz RIPPGWQPCSZSKU-QGZVFWFLSA-N -1 3 616.659 4.387 1 0 KIAFHM CCCc1nc(C(C)(C)O)c(C(N)=O)n1Cc1ccc(-c2cc(Cc3ccc(O)cc3)ccc2-c2nn[n-]n2)cc1 ZINC000653729584 562909379 /nfs/dbraw/zinc/90/93/79/562909379.db2.gz KAZQBTNDLRRVMH-UHFFFAOYSA-N -1 3 551.651 4.354 1 0 KIAFHM CCCc1nc(C(C)(C)O)c(C(N)=O)n1Cc1ccc(-c2cc(Cc3ccc(O)cc3)ccc2-c2nnn[n-]2)cc1 ZINC000653729584 562909378 /nfs/dbraw/zinc/90/93/78/562909378.db2.gz KAZQBTNDLRRVMH-UHFFFAOYSA-N -1 3 551.651 4.354 1 0 KIAFHM CCN[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1OC(=O)OC(C)(C)C)Oc1ccc(Cl)cc1 ZINC000653739213 562910050 /nfs/dbraw/zinc/91/00/50/562910050.db2.gz BJBBLNZYCKXCCG-QJLZUJJXSA-N -1 3 563.903 4.162 1 0 KIAFHM CCN[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1OC(=O)OC(C)(C)C)Oc1ccc(Cl)cc1 ZINC000653739214 562910084 /nfs/dbraw/zinc/91/00/84/562910084.db2.gz BJBBLNZYCKXCCG-XQCGIEGMSA-N -1 3 563.903 4.162 1 0 KIAFHM Cc1cc(S(=O)(=O)NCCN(C)C)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653754912 562910849 /nfs/dbraw/zinc/91/08/49/562910849.db2.gz LOVYVQNMKUWWHO-UHFFFAOYSA-N -1 3 560.676 4.155 1 0 KIAFHM Cc1cc(S(=O)(=O)NCCN(C)C)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653773176 562911861 /nfs/dbraw/zinc/91/18/61/562911861.db2.gz GUZKHCVDPAAYFG-UHFFFAOYSA-N -1 3 566.705 4.217 1 0 KIAFHM Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(C[NH2+][C@@H](C(=O)[O-])C4)CC3)nc(=O)[n-]2)C(F)(F)F)n1 ZINC000653790440 562912559 /nfs/dbraw/zinc/91/25/59/562912559.db2.gz IAEKYGJEHJXZTG-DYESRHJHSA-N -1 3 566.968 4.045 1 0 KIAFHM Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(C[NH2+][C@H](C(=O)[O-])C4)CC3)nc(=O)[n-]2)C(F)(F)F)n1 ZINC000653790447 562912598 /nfs/dbraw/zinc/91/25/98/562912598.db2.gz IAEKYGJEHJXZTG-LAUBAEHRSA-N -1 3 566.968 4.045 1 0 KIAFHM CCOc1ccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)cc1[N-]S(N)(=O)=O ZINC000653802028 562913454 /nfs/dbraw/zinc/91/34/54/562913454.db2.gz IZRZWLKNGORGAY-UHFFFAOYSA-N -1 3 604.373 4.218 1 0 KIAFHM CCCCCOc1cc([O-])c2c(c1)O[C@H](c1ccc3c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@H](CO)O3)[C@@H](O)C2=O ZINC000653806042 562913664 /nfs/dbraw/zinc/91/36/64/562913664.db2.gz FVEWIEULMSIVBF-CNTBMXMRSA-N -1 3 552.576 4.226 1 0 KIAFHM CCCCCOc1cc([O-])c2c(c1)O[C@H](c1ccc3c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@H](CO)O3)[C@@H](O)C2=O ZINC000653806043 562913676 /nfs/dbraw/zinc/91/36/76/562913676.db2.gz FVEWIEULMSIVBF-IECRIWKTSA-N -1 3 552.576 4.226 1 0 KIAFHM CCCCCOc1cc([O-])c2c(c1)O[C@H](c1ccc3c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@H](CO)O3)[C@@H](O)C2=O ZINC000653806044 562913670 /nfs/dbraw/zinc/91/36/70/562913670.db2.gz FVEWIEULMSIVBF-UGIQSDBZSA-N -1 3 552.576 4.226 1 0 KIAFHM CCCCCOc1cc([O-])c2c(c1)O[C@H](c1ccc3c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@@H](CO)O3)[C@@H](O)C2=O ZINC000653806045 562913693 /nfs/dbraw/zinc/91/36/93/562913693.db2.gz FVEWIEULMSIVBF-ZBBWKFRYSA-N -1 3 552.576 4.226 1 0 KIAFHM NC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000653829398 562914494 /nfs/dbraw/zinc/91/44/94/562914494.db2.gz SFFGXWBFIOHJDJ-JKSUJKDBSA-N -1 3 560.499 4.483 1 0 KIAFHM CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)N(C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000653872989 562916489 /nfs/dbraw/zinc/91/64/89/562916489.db2.gz MSEUAQOGDNNXRK-UHFFFAOYSA-N -1 3 517.549 4.193 1 0 KIAFHM C[C@H](NC(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653873018 562916530 /nfs/dbraw/zinc/91/65/30/562916530.db2.gz XIZMSSXCERQZOL-HNNXBMFYSA-N -1 3 531.576 4.408 1 0 KIAFHM C[C@@H](NC(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653873019 562916521 /nfs/dbraw/zinc/91/65/21/562916521.db2.gz XIZMSSXCERQZOL-OAHLLOKOSA-N -1 3 531.576 4.408 1 0 KIAFHM CC1CCN(c2nc(C(F)(F)F)ccc2CCNC(=O)Nc2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000653882850 562916850 /nfs/dbraw/zinc/91/68/50/562916850.db2.gz HMSQJYRYTLXGSA-UHFFFAOYSA-N -1 3 517.549 4.212 1 0 KIAFHM CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000653882901 562916882 /nfs/dbraw/zinc/91/68/82/562916882.db2.gz XTBUKIUHIBLCQS-UHFFFAOYSA-N -1 3 503.522 4.169 1 0 KIAFHM COc1ccc(C[C@H](N)C(=O)Nc2ccc(C(=O)N[C@@H](CCc3ccccc3)C(=O)[O-])cc2OCCc2ccc(O)cc2)cc1 ZINC000653889537 562917110 /nfs/dbraw/zinc/91/71/10/562917110.db2.gz JSLDZLCHOLPTQB-SMCANUKXSA-N -1 3 611.695 4.347 1 0 KIAFHM CC(C)C[C@H](NC(=O)c1[n-]cnc1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C ZINC000013657493 561723333 /nfs/dbraw/zinc/72/33/33/561723333.db2.gz SSDQOVPZUQVMJA-IBGZPJMESA-N -1 3 529.638 4.173 3 0 KIAFHM CC(C)C[C@H](NC(=O)c1nc[n-]c1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C ZINC000013657493 561723332 /nfs/dbraw/zinc/72/33/32/561723332.db2.gz SSDQOVPZUQVMJA-IBGZPJMESA-N -1 3 529.638 4.173 3 0 KIAFHM Cc1ccc(NC(=O)c2nc[n-]c2C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1 ZINC000015952253 561753674 /nfs/dbraw/zinc/75/36/74/561753674.db2.gz VDBHGVMULPMSSJ-IBGZPJMESA-N -1 3 529.638 4.106 3 0 KIAFHM Cc1ccc(NC(=O)c2[n-]cnc2C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1 ZINC000015952253 561753673 /nfs/dbraw/zinc/75/36/73/561753673.db2.gz VDBHGVMULPMSSJ-IBGZPJMESA-N -1 3 529.638 4.106 3 0 KIAFHM Cc1cccc(NC(=O)c2nc[n-]c2C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1 ZINC000015952258 561753664 /nfs/dbraw/zinc/75/36/64/561753664.db2.gz SHLFWTNBPXYVCC-IBGZPJMESA-N -1 3 529.638 4.106 3 0 KIAFHM Cc1cccc(NC(=O)c2[n-]cnc2C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1 ZINC000015952258 561753663 /nfs/dbraw/zinc/75/36/63/561753663.db2.gz SHLFWTNBPXYVCC-IBGZPJMESA-N -1 3 529.638 4.106 3 0 KIAFHM CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1[n-]cnc1C(=O)Nc1ccc(Cl)cc1)C(=O)OC(C)(C)C ZINC000017544976 561755769 /nfs/dbraw/zinc/75/57/69/561755769.db2.gz JLUULHGEQBSZIV-SFHVURJKSA-N -1 3 550.056 4.451 3 0 KIAFHM CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1nc[n-]c1C(=O)Nc1ccc(Cl)cc1)C(=O)OC(C)(C)C ZINC000017544976 561755768 /nfs/dbraw/zinc/75/57/68/561755768.db2.gz JLUULHGEQBSZIV-SFHVURJKSA-N -1 3 550.056 4.451 3 0 KIAFHM CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2nc[n-]c2C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1 ZINC000017544983 561755765 /nfs/dbraw/zinc/75/57/65/561755765.db2.gz YSDPPQVBTROWCC-QFIPXVFZSA-N -1 3 563.655 4.370 3 0 KIAFHM CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2[n-]cnc2C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1 ZINC000017544983 561755764 /nfs/dbraw/zinc/75/57/64/561755764.db2.gz YSDPPQVBTROWCC-QFIPXVFZSA-N -1 3 563.655 4.370 3 0 KIAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2C(=O)[O-])Oc2ncc(C3=CCCCC3)cc2C1=O ZINC000061922208 562703281 /nfs/dbraw/zinc/70/32/81/562703281.db2.gz JJNSOSPDKGLWRB-XMERXJNXSA-N -1 3 507.631 4.089 3 0 KIAFHM O=C([N-]c1ccn(CCCN2CCN(Cc3cccc4ccccc43)CC2)c(=O)n1)OCc1ccccc1 ZINC000061922426 562703318 /nfs/dbraw/zinc/70/33/18/562703318.db2.gz ADWZDIQJZAEUBJ-UHFFFAOYSA-N -1 3 511.626 4.353 3 0 KIAFHM Cc1cc(C)c(CN2CCN(CCCn3ccc([N-]C(=O)OCc4ccccc4)nc3=O)CC2)c(C)c1 ZINC000061936068 562703690 /nfs/dbraw/zinc/70/36/90/562703690.db2.gz XNSOQOOUWCXNFS-UHFFFAOYSA-N -1 3 503.647 4.125 3 0 KIAFHM COc1ccc(NC(=O)N(C)C[C@H]2Oc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000066104291 562711675 /nfs/dbraw/zinc/71/16/75/562711675.db2.gz TZIYUHRQWCQTDG-TWUWCHPWSA-N -1 3 614.696 4.019 3 0 KIAFHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@H](CN(C)Cc2ccccc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000066111906 562711902 /nfs/dbraw/zinc/71/19/02/562711902.db2.gz ILXPLMRUCOUZPQ-SXDGJLEOSA-N -1 3 551.709 4.148 3 0 KIAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c([N-]S(=O)(=O)c3cn(C)cn3)cccc2C1=O ZINC000066112587 562712050 /nfs/dbraw/zinc/71/20/50/562712050.db2.gz WHJCSELYFWBTCG-FVBCXUTKSA-N -1 3 617.772 4.240 3 0 KIAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000066113881 562712295 /nfs/dbraw/zinc/71/22/95/562712295.db2.gz LAWTUVGPDABDMQ-ASHZAFPQSA-N -1 3 584.670 4.011 3 0 KIAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c([N-]S(C)(=O)=O)cccc2C1=O ZINC000066129545 562712971 /nfs/dbraw/zinc/71/29/71/562712971.db2.gz CUGBMLDXYRWSMY-WENCSYSZSA-N -1 3 567.708 4.203 3 0 KIAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c([N-]S(=O)(=O)c3cn(C)cn3)cccc2C1=O ZINC000066167232 562714325 /nfs/dbraw/zinc/71/43/25/562714325.db2.gz RBMMCNCJIDABSE-FVBCXUTKSA-N -1 3 633.771 4.365 3 0 KIAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)[O-])cc2)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000072138308 562728728 /nfs/dbraw/zinc/72/87/28/562728728.db2.gz LFAGSSMFMOSEKY-VJCDQNICSA-N -1 3 564.704 4.456 3 0 KIAFHM COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)[O-])cc2)O3)cc1 ZINC000072140964 562729254 /nfs/dbraw/zinc/72/92/54/562729254.db2.gz VJKFOJAZVSCRMT-ZQLNOWDWSA-N -1 3 604.704 4.318 3 0 KIAFHM COc1cc(OC)c2c([O-])c3c(c(-c4c(OC)cc5cc6c(c(O)c5c4OC)C(=O)C[C@](C)(O)O6)c2c1)O[C@@](C)(O)CC3=O ZINC000085558121 571782555 /nfs/dbraw/zinc/78/25/55/571782555.db2.gz VIFQAHKDYKZMMS-ROJLCIKYSA-N -1 3 606.580 4.453 3 0 endogenous,in-man KIAFHM COc1cc(OC)c2c([O-])c3c(c(-c4c(OC)cc5cc6c(c(O)c5c4OC)C(=O)C[C@@](C)(O)O6)c2c1)O[C@@](C)(O)CC3=O ZINC000085558132 571782569 /nfs/dbraw/zinc/78/25/69/571782569.db2.gz VIFQAHKDYKZMMS-AJQTZOPKSA-N -1 3 606.580 4.453 3 0 endogenous,in-man KIAFHM COc1cc(OC)c2c([O-])c3c(c(-c4c(OC)cc5cc6c(c(O)c5c4OC)C(=O)C[C@](C)(O)O6)c2c1)O[C@](C)(O)CC3=O ZINC000085558136 571782584 /nfs/dbraw/zinc/78/25/84/571782584.db2.gz VIFQAHKDYKZMMS-ZWXJPIIXSA-N -1 3 606.580 4.453 3 0 endogenous,in-man KIAFHM COc1cc(OC)c2c([O-])c3c(c(-c4c(OC)cc5cc6c(c(O)c5c4OC)C(=O)C[C@@](C)(O)O6)c2c1)O[C@](C)(O)CC3=O ZINC000085558138 571782599 /nfs/dbraw/zinc/78/25/99/571782599.db2.gz VIFQAHKDYKZMMS-ACHIHNKUSA-N -1 3 606.580 4.453 3 0 endogenous,in-man KIAFHM Cc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)Cc1ccc(C(=O)[O-])cc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095569193 562767235 /nfs/dbraw/zinc/76/72/35/562767235.db2.gz VHCZRFPKNWPULV-TYPXCFOJSA-N -1 3 552.693 4.261 3 0 KIAFHM CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095570719 562768445 /nfs/dbraw/zinc/76/84/45/562768445.db2.gz IVZQQDUFLBTOML-ZASNTINBSA-N -1 3 632.824 4.333 3 0 KIAFHM CO[C@@H]1CN(C)C(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2OC[C@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095599943 562778535 /nfs/dbraw/zinc/77/85/35/562778535.db2.gz PEPLWFCUXOTHLS-YZIHRLCOSA-N -1 3 572.753 4.259 3 0 KIAFHM