smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2cc([C@H]3C[N@H+]4CC[C@H]3C[C@@H]4CNC(=O)CCCC(=O)[O-])n(C)n2)cc1 ZINC000008635364 291346084 /nfs/dbraw/zinc/34/60/84/291346084.db2.gz LNJWWKOPGLRVAR-NSHGMRRFSA-N -1 1 440.544 2.645 40 0 biogenic,in-vitro IFABMM O=C(N(c1ccccc1)c1ccccc1)N1CCc2nc(N3CCOCC3)[n-]c(=O)c2C1 ZINC000013564784 132350116 /nfs/dbraw/zinc/35/01/16/132350116.db2.gz AVAIHPQQTNFXQZ-UHFFFAOYSA-N -1 1 431.496 2.923 40 0 IFABMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cc1 ZINC000408593678 555959902 /nfs/dbraw/zinc/95/99/02/555959902.db2.gz NCLKUOGNXOEYES-OAHLLOKOSA-N -1 1 434.514 2.814 40 0 IFABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC)cc2)cc1 ZINC000408594317 555960529 /nfs/dbraw/zinc/96/05/29/555960529.db2.gz OKSZAQIBTNXPTI-HNNXBMFYSA-N -1 1 434.514 2.958 40 0 IFABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCCN3CCOCC3)ccc2C)c1 ZINC000408618471 555982181 /nfs/dbraw/zinc/98/21/81/555982181.db2.gz JNZFFWJCUBNDIC-UHFFFAOYSA-N -1 1 431.558 2.556 40 0 IFABMM COc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[n-]c(=O)c32)c1 ZINC000038828477 556620289 /nfs/dbraw/zinc/62/02/89/556620289.db2.gz YIAMWWRGSRWYIH-ZENOOKHLSA-N -1 1 425.489 2.610 40 0 IFABMM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccccc1OC)CC(=O)N2 ZINC000040390555 556637305 /nfs/dbraw/zinc/63/73/05/556637305.db2.gz WLZUNKFCSNMBFW-KBPBESRZSA-N -1 1 425.489 2.612 40 0 IFABMM CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1 ZINC000040399187 556641557 /nfs/dbraw/zinc/64/15/57/556641557.db2.gz HKIVNCHJMJXCOK-MRXNPFEDSA-N -1 1 447.451 2.755 40 0 IFABMM COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2cc(OC)ccc2C)CC(=O)N3)cc1 ZINC000040399955 556642614 /nfs/dbraw/zinc/64/26/14/556642614.db2.gz WDQVQUUIVASTTF-INIZCTEOSA-N -1 1 449.467 2.904 40 0 IFABMM CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4OC)[n-]c(=O)c32)cc1 ZINC000040400027 556643054 /nfs/dbraw/zinc/64/30/54/556643054.db2.gz LOOVQMXVGOMHDN-HNNXBMFYSA-N -1 1 449.467 2.985 40 0 IFABMM COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cc(C)ccc1OC)CC(=O)N2 ZINC000040400128 556643089 /nfs/dbraw/zinc/64/30/89/556643089.db2.gz KKQCXMNVRBLNSS-CYBMUJFWSA-N -1 1 449.467 2.904 40 0 IFABMM Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4C(=O)c4ccccn4)[n-]c(=O)c3C2)s1 ZINC000019217018 556712510 /nfs/dbraw/zinc/71/25/10/556712510.db2.gz NESGWSKUKCQGBG-SFHVURJKSA-N -1 1 449.536 2.711 40 0 IFABMM Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN4C(=O)c4ccncc4)[n-]c(=O)c3C2)s1 ZINC000019217025 556712533 /nfs/dbraw/zinc/71/25/33/556712533.db2.gz ABNPMIGYZOPYBW-GOSISDBHSA-N -1 1 449.536 2.711 40 0 IFABMM Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)C3CCCC3)[n-]c(=O)c2C1 ZINC000019239453 556724821 /nfs/dbraw/zinc/72/48/21/556724821.db2.gz LXRWXEYCQVRQBM-HXUWFJFHSA-N -1 1 435.528 2.526 40 0 IFABMM CSCC[C@H](NC(=O)c1c2c(nn1C)CCCC2)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019288657 556728858 /nfs/dbraw/zinc/72/88/58/556728858.db2.gz SASYQVQZBVDDBY-INIZCTEOSA-N -1 1 438.557 2.668 40 0 IFABMM COc1cccc2c1OC[C@@H](C(=O)N[C@@H](c1cc(=O)[n-]c(-c3ccccn3)n1)C(C)C)C2 ZINC000019445569 556755885 /nfs/dbraw/zinc/75/58/85/556755885.db2.gz OLYYDILLHPHVSE-HRAATJIYSA-N -1 1 434.496 2.905 40 0 IFABMM COc1ccc2c(c1)C[C@@H](C(=O)N[C@H](c1cc(=O)[n-]c(-c3ccccn3)n1)C(C)C)CO2 ZINC000019445557 556755960 /nfs/dbraw/zinc/75/59/60/556755960.db2.gz GMNVDWBKDLUPLK-ZHRRBRCNSA-N -1 1 434.496 2.905 40 0 IFABMM COc1ccc2c(c1)C[C@@H](C(=O)N[C@@H](c1cc(=O)[n-]c(-c3ccccn3)n1)C(C)C)CO2 ZINC000019445561 556755993 /nfs/dbraw/zinc/75/59/93/556755993.db2.gz GMNVDWBKDLUPLK-OPAMFIHVSA-N -1 1 434.496 2.905 40 0 IFABMM O=C(CN1C(=O)SC(=C2SC(=O)[N-]C2=O)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000065090545 556832479 /nfs/dbraw/zinc/83/24/79/556832479.db2.gz YVOQAIOOLJBMLN-MDZDMXLPSA-N -1 1 431.373 2.534 40 0 IFABMM COc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc(I)c1O ZINC000409190197 556991242 /nfs/dbraw/zinc/99/12/42/556991242.db2.gz MLUYPZXGZRYZJK-YHYXMXQVSA-N -1 1 433.227 2.650 40 0 IFABMM COc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc(I)c1O ZINC000409190197 556991239 /nfs/dbraw/zinc/99/12/39/556991239.db2.gz MLUYPZXGZRYZJK-YHYXMXQVSA-N -1 1 433.227 2.650 40 0 IFABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C ZINC000409416058 557110601 /nfs/dbraw/zinc/11/06/01/557110601.db2.gz LPYCEBHKRRYYHY-UHFFFAOYSA-N -1 1 426.516 2.656 40 0 IFABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1N1C(=O)CCC1=O ZINC000223027847 557417300 /nfs/dbraw/zinc/41/73/00/557417300.db2.gz UYUCHVGCAURORY-UHFFFAOYSA-N -1 1 439.287 2.912 40 0 IFABMM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC(C)C)ccc2N2CCOCC2)cc1 ZINC000223427667 557471337 /nfs/dbraw/zinc/47/13/37/557471337.db2.gz QKNRYQSQSXNOSZ-UHFFFAOYSA-N -1 1 434.514 2.898 40 0 IFABMM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)n2)cc1 ZINC000223915023 557528374 /nfs/dbraw/zinc/52/83/74/557528374.db2.gz YCKDXVDHYDTAGE-UHFFFAOYSA-N -1 1 442.497 2.523 40 0 IFABMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C(C)C)ccc1OC ZINC000225155736 557693339 /nfs/dbraw/zinc/69/33/39/557693339.db2.gz AIQFBCVDDMHLLS-UHFFFAOYSA-N -1 1 435.527 2.813 40 0 IFABMM O=C([O-])CCC(=O)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000015675766 560094878 /nfs/dbraw/zinc/09/48/78/560094878.db2.gz ZTLMQESXMYMTEJ-AWEZNQCLSA-N -1 1 435.362 2.969 40 0 biogenic,in-vitro IFABMM CN1CCN(Cc2cccc(C(=O)[N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)CC1 ZINC000257328231 568723692 /nfs/dbraw/zinc/72/36/92/568723692.db2.gz XESYWEJSXAMSTK-UHFFFAOYSA-N -1 1 429.586 2.850 40 0 IFABMM Cc1cc(C)n2nc(SCC(=O)N=c3cc(-c4ccc(Cl)cc4)[n-]n3C)nc2n1 ZINC000103138920 568900783 /nfs/dbraw/zinc/90/07/83/568900783.db2.gz CHMWMUGTQRDQGH-JWGURIENSA-N -1 1 427.921 2.948 40 0 IFABMM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cccc(OC)c1)CC(=O)N2 ZINC000139111226 569254751 /nfs/dbraw/zinc/25/47/51/569254751.db2.gz QAUQKLLMAGBFJF-GOEBONIOSA-N -1 1 425.489 2.612 40 0 IFABMM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cccc(OC)c1)CC(=O)N2 ZINC000139111094 569254778 /nfs/dbraw/zinc/25/47/78/569254778.db2.gz QAUQKLLMAGBFJF-GDBMZVCRSA-N -1 1 425.489 2.612 40 0 IFABMM COC(=O)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)cc1 ZINC000008915371 569292323 /nfs/dbraw/zinc/29/23/23/569292323.db2.gz WJJKXBNBEFDEDD-CLCXKQKWSA-N -1 1 440.349 2.716 40 0 IFABMM Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@@H]1c1nccnc1[N-]c1nc(C)cc(C)n1 ZINC000585292927 569584923 /nfs/dbraw/zinc/58/49/23/569584923.db2.gz UJQAPNVGQCYLPL-CSHXORCISA-N -1 1 432.532 3.354 40 0 IFABMM CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C ZINC000005493812 291342566 /nfs/dbraw/zinc/34/25/66/291342566.db2.gz MVXNAJNGLVQNKU-BVZALQNUSA-N -1 1 446.569 2.957 40 0 biogenic,in-vitro IFABMM O=C(c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccn1)N1CCN(c2ccccc2)CC1 ZINC000009152254 132306798 /nfs/dbraw/zinc/30/67/98/132306798.db2.gz DRXDCOVKFUMQQC-UHFFFAOYSA-N -1 1 440.500 2.984 40 0 IFABMM COc1ccc(CC(=O)N2CCC[C@@H](c3cc(=O)[n-]c(-c4cnccn4)n3)C2)cc1OC ZINC000012329138 523892289 /nfs/dbraw/zinc/89/22/89/523892289.db2.gz FZEPDDPALNOVTN-MRXNPFEDSA-N -1 1 435.484 2.605 40 0 IFABMM Cc1ccc(N2C[C@H](C(=O)Nc3cc(C4CC4)nn3-c3nc(C)c(C)c(=O)[n-]3)CC2=O)cc1 ZINC000012127337 524986028 /nfs/dbraw/zinc/98/60/28/524986028.db2.gz FSLPZVOESKSHID-QGZVFWFLSA-N -1 1 446.511 2.750 40 0 IFABMM COc1cccc(O[C@H](C)C(=O)N2CCC(c3cc(=O)[n-]c(-c4cnccn4)n3)CC2)c1 ZINC000012219674 526238973 /nfs/dbraw/zinc/23/89/73/526238973.db2.gz OOJZGPBNKNYUFT-OAHLLOKOSA-N -1 1 435.484 2.821 40 0 IFABMM CCc1cc(=O)[n-]c(SCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000013568161 536091419 /nfs/dbraw/zinc/09/14/19/536091419.db2.gz XJKDWQCREWXZRC-UHFFFAOYSA-N -1 1 426.464 2.792 40 0 IFABMM COc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)cc1OC ZINC000001167520 555664964 /nfs/dbraw/zinc/66/49/64/555664964.db2.gz SAKMJRLYVPELEG-FCEWJHQRSA-N -1 1 442.365 2.947 40 0 IFABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)OC)c2)ccc1OC ZINC000013677479 556555183 /nfs/dbraw/zinc/55/51/83/556555183.db2.gz KVLJOJPXXJMGND-UHFFFAOYSA-N -1 1 426.878 2.686 40 0 IFABMM CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@@H]3C)[n-]c(=O)c21 ZINC000040390321 556636882 /nfs/dbraw/zinc/63/68/82/556636882.db2.gz MKSQUBAFHWFNMZ-UONOGXRCSA-N -1 1 425.489 2.612 40 0 IFABMM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cccc(OC)c1)CC(=O)N2 ZINC000040390501 556637441 /nfs/dbraw/zinc/63/74/41/556637441.db2.gz QAUQKLLMAGBFJF-ZBFHGGJFSA-N -1 1 425.489 2.612 40 0 IFABMM COc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4OC)[n-]c(=O)c32)c1 ZINC000040400148 556642928 /nfs/dbraw/zinc/64/29/28/556642928.db2.gz VYLZLYYMZOLZAX-CQSZACIVSA-N -1 1 449.467 2.904 40 0 IFABMM CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(C)cc4)[n-]c(=O)c32)cc1 ZINC000040400403 556643294 /nfs/dbraw/zinc/64/32/94/556643294.db2.gz JGTOPKYJTGUPEB-KRWDZBQOSA-N -1 1 446.467 2.845 40 0 IFABMM Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4C(=O)C4CCC4)[n-]c(=O)c3C2)s1 ZINC000019216979 556712183 /nfs/dbraw/zinc/71/21/83/556712183.db2.gz CTTNJLLOORLPDR-KRWDZBQOSA-N -1 1 426.542 2.802 40 0 IFABMM Cc1cccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CN(C(=O)C2CC2)CC3)c1 ZINC000019234764 556719065 /nfs/dbraw/zinc/71/90/65/556719065.db2.gz FZKFDOCDLOOJCN-NRFANRHFSA-N -1 1 434.540 2.669 40 0 IFABMM COc1ccc2c(c1)C[C@H](C(=O)N[C@H](c1cc(=O)[n-]c(-c3ccccn3)n1)C(C)C)CO2 ZINC000019445555 556755903 /nfs/dbraw/zinc/75/59/03/556755903.db2.gz GMNVDWBKDLUPLK-AOMKIAJQSA-N -1 1 434.496 2.905 40 0 IFABMM COc1cccc2c1OC[C@H](C(=O)N[C@@H](c1cc(=O)[n-]c(-c3ccccn3)n1)C(C)C)C2 ZINC000019445567 556755940 /nfs/dbraw/zinc/75/59/40/556755940.db2.gz OLYYDILLHPHVSE-IIBYNOLFSA-N -1 1 434.496 2.905 40 0 IFABMM COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3C[C@@H](C)C[C@H](C)C3)[n-]c(=O)c21 ZINC000040388707 556809513 /nfs/dbraw/zinc/80/95/13/556809513.db2.gz BSYQFDZSVVEYNE-SOUVJXGZSA-N -1 1 439.516 2.634 40 0 IFABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)cc1Cl ZINC000020040435 556971720 /nfs/dbraw/zinc/97/17/20/556971720.db2.gz NJARHNMFFHYUIJ-UHFFFAOYSA-N -1 1 426.878 2.686 40 0 IFABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCN3CCOCC3)c2)cc1 ZINC000216486535 557147811 /nfs/dbraw/zinc/14/78/11/557147811.db2.gz XYXLBLIZTMYXGS-UHFFFAOYSA-N -1 1 437.949 2.511 40 0 IFABMM CCOc1cc(CNn2c(-c3ccncc3)n[n-]c2=S)cc(Cl)c1OCC(N)=O ZINC000022110975 557179129 /nfs/dbraw/zinc/17/91/29/557179129.db2.gz FYODQBRSKQDAGV-UHFFFAOYSA-N -1 1 434.909 2.663 40 0 IFABMM CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1 ZINC000223288568 557456224 /nfs/dbraw/zinc/45/62/24/557456224.db2.gz MHNYPNFJDIUEAO-NYYWCZLTSA-N -1 1 442.278 2.851 40 0 IFABMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1 ZINC000223309740 557457692 /nfs/dbraw/zinc/45/76/92/557457692.db2.gz WKIXQDVFFDBQDO-UHFFFAOYSA-N -1 1 444.294 2.771 40 0 IFABMM O=C(CNC(=O)c1cncc([O-])c1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257342706 568729643 /nfs/dbraw/zinc/72/96/43/568729643.db2.gz ZPUNPXPHBWPJGS-FQEVSTJZSA-N -1 1 438.459 2.989 40 0 IFABMM COc1ccc([C@H]2c3c(=O)[nH][n-]c3C[C@@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1OC ZINC000009408881 569215218 /nfs/dbraw/zinc/21/52/18/569215218.db2.gz QDGMPZMXICCCNO-XZDHIHRUSA-N -1 1 438.480 2.931 40 0 IFABMM N[C@@]1(C(=O)[O-])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000252515215 569288174 /nfs/dbraw/zinc/28/81/74/569288174.db2.gz HWWKMWIHOCUIIC-IIAWOOMASA-N -1 1 430.707 2.824 40 0 IFABMM Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC(c2nccnc2[N-]c2nc(C)cc(C)n2)CC1 ZINC000585292861 569584879 /nfs/dbraw/zinc/58/48/79/569584879.db2.gz SZAXYCAHTRDGLX-VOTSOKGWSA-N -1 1 446.559 3.397 40 0 IFABMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)ccc1Cl ZINC000020459424 521443569 /nfs/dbraw/zinc/44/35/69/521443569.db2.gz TZTCNTWKNCIRKD-UHFFFAOYSA-N -1 1 426.878 2.686 40 0 IFABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)NCCCO ZINC000408533311 555746237 /nfs/dbraw/zinc/74/62/37/555746237.db2.gz QFNMNZMNNNIVMT-UHFFFAOYSA-N -1 1 433.313 2.672 40 0 IFABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC)cc2)cc1 ZINC000408594319 555960576 /nfs/dbraw/zinc/96/05/76/555960576.db2.gz OKSZAQIBTNXPTI-OAHLLOKOSA-N -1 1 434.514 2.958 40 0 IFABMM Cc1cc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)ccc1NC(=O)c1ccccc1 ZINC000408606432 555966994 /nfs/dbraw/zinc/96/69/94/555966994.db2.gz LZRBECUQELUGAM-UHFFFAOYSA-N -1 1 445.522 2.696 40 0 IFABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCCN3CCOCC3)ccc2C)c1 ZINC000408620103 555989318 /nfs/dbraw/zinc/98/93/18/555989318.db2.gz MXOQKMCKQNTYGV-UHFFFAOYSA-N -1 1 445.585 2.865 40 0 IFABMM COCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408635528 556013084 /nfs/dbraw/zinc/01/30/84/556013084.db2.gz DDFSOKRLECWKCM-UHFFFAOYSA-N -1 1 433.313 2.936 40 0 IFABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(N(C)S(C)(=O)=O)c2)cc1OCC ZINC000408677461 556073193 /nfs/dbraw/zinc/07/31/93/556073193.db2.gz CZBBAWSGRFSZNI-UHFFFAOYSA-N -1 1 428.532 2.681 40 0 IFABMM COc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[n-]c(=O)c32)c1 ZINC000038828479 556620388 /nfs/dbraw/zinc/62/03/88/556620388.db2.gz YIAMWWRGSRWYIH-XEZPLFJOSA-N -1 1 425.489 2.610 40 0 IFABMM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(OC)cc1)CC(=O)N2 ZINC000040390479 556637222 /nfs/dbraw/zinc/63/72/22/556637222.db2.gz QEJGZXVOGCBZPE-HOCLYGCPSA-N -1 1 425.489 2.612 40 0 IFABMM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cc(C)ccc1OC)CC(=O)N2 ZINC000040390625 556637263 /nfs/dbraw/zinc/63/72/63/556637263.db2.gz YSHGITFKPHSHGR-GJZGRUSLSA-N -1 1 439.516 2.920 40 0 IFABMM CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1 ZINC000040399183 556641526 /nfs/dbraw/zinc/64/15/26/556641526.db2.gz HGQLEYXICMPQSG-MRXNPFEDSA-N -1 1 432.440 2.536 40 0 IFABMM COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2cc(C)ccc2OC)CC(=O)N3)cc1 ZINC000040399934 556642749 /nfs/dbraw/zinc/64/27/49/556642749.db2.gz ZTQARCLKVWLLGL-OAHLLOKOSA-N -1 1 449.467 2.904 40 0 IFABMM COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(C(C)=O)cc1)CC(=O)N2 ZINC000040400037 556643061 /nfs/dbraw/zinc/64/30/61/556643061.db2.gz ZSAWGASZUKSPRZ-OAHLLOKOSA-N -1 1 447.451 2.789 40 0 IFABMM O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3CCCO3)[n-]c(=O)c2C1 ZINC000019014763 556692016 /nfs/dbraw/zinc/69/20/16/556692016.db2.gz OQCFKGFYXVRMBZ-UXHICEINSA-N -1 1 442.560 2.880 40 0 IFABMM O=C(c1ccncc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCCC1)CC2 ZINC000019404879 556754508 /nfs/dbraw/zinc/75/45/08/556754508.db2.gz BMPKCGIIGUZWPE-OAQYLSRUSA-N -1 1 449.555 2.997 40 0 IFABMM Cc1ncc(C(=O)N[C@@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccccc2)c(C)n1 ZINC000019552539 556796270 /nfs/dbraw/zinc/79/62/70/556796270.db2.gz XQPLUMLFLARVAQ-NRFANRHFSA-N -1 1 426.480 2.953 40 0 IFABMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)[nH]n1 ZINC000223249888 557451105 /nfs/dbraw/zinc/45/11/05/557451105.db2.gz YYFRKHJYGXFNOC-UHFFFAOYSA-N -1 1 428.514 2.961 40 0 IFABMM CC(C)c1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000223612372 557491775 /nfs/dbraw/zinc/49/17/75/557491775.db2.gz SWDMESIUEWETNB-UHFFFAOYSA-N -1 1 435.527 2.742 40 0 IFABMM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)n2)cc1 ZINC000223618475 557492818 /nfs/dbraw/zinc/49/28/18/557492818.db2.gz XMVCEGNAHWWKRK-UHFFFAOYSA-N -1 1 442.497 2.523 40 0 IFABMM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cc1 ZINC000223802183 557514998 /nfs/dbraw/zinc/51/49/98/557514998.db2.gz JNNNLLFTICTOFF-UHFFFAOYSA-N -1 1 440.543 2.613 40 0 IFABMM COc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)ccc1O ZINC000027988584 557638940 /nfs/dbraw/zinc/63/89/40/557638940.db2.gz QCKNOIILUDZJLU-DAYGRLMNSA-N -1 1 428.338 2.644 40 0 IFABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1N1C(=O)CCC1=O ZINC000225289159 557709195 /nfs/dbraw/zinc/70/91/95/557709195.db2.gz DXHAVNMLKJZGQJ-UHFFFAOYSA-N -1 1 439.287 2.912 40 0 IFABMM COc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)CC(C)(C)CC(=O)[O-])n2)cc1 ZINC000015675981 560094678 /nfs/dbraw/zinc/09/46/78/560094678.db2.gz DSDBXRDEJGJKCW-KRWDZBQOSA-N -1 1 439.472 2.985 40 0 biogenic,in-vitro IFABMM CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000002049068 560186489 /nfs/dbraw/zinc/18/64/89/560186489.db2.gz MVXNAJNGLVQNKU-NVVBAYIOSA-N -1 1 446.569 2.957 40 0 biogenic,in-vitro IFABMM CN1CCN(Cc2cccc(C(=O)[N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)c2)CC1 ZINC000257268501 568697023 /nfs/dbraw/zinc/69/70/23/568697023.db2.gz MLYLAJZFQNEBDB-UHFFFAOYSA-N -1 1 441.475 2.572 40 0 IFABMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000575420782 568863028 /nfs/dbraw/zinc/86/30/28/568863028.db2.gz DKZPERMZVNSXEG-SFHVURJKSA-N -1 1 436.555 2.528 40 0 IFABMM COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)[n-]c(=O)c21 ZINC000253564240 569208801 /nfs/dbraw/zinc/20/88/01/569208801.db2.gz GHGHXLOTDDQLCQ-KGLIPLIRSA-N -1 1 425.489 2.943 40 0 IFABMM COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@H](C)CCC[C@H]4C)[n-]c(=O)c32)cc1 ZINC000059816873 569249730 /nfs/dbraw/zinc/24/97/30/569249730.db2.gz AUGWQUXFVSSKIN-XJKCOSOUSA-N -1 1 425.489 2.610 40 0 IFABMM N[C@@]1(C(=O)[O-])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218242180 569456836 /nfs/dbraw/zinc/45/68/36/569456836.db2.gz HWWKMWIHOCUIIC-YCPHGPKFSA-N -1 1 430.707 2.824 40 0 IFABMM Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@@H](c2nccnc2[N-]c2nc(C)cc(C)n2)C1 ZINC000585292050 569584941 /nfs/dbraw/zinc/58/49/41/569584941.db2.gz JIWMEEZNRAZAJW-CSHXORCISA-N -1 1 446.559 3.397 40 0 IFABMM Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@H](c2nccnc2[N-]c2nc(C)cc(C)n2)C1 ZINC000585292052 569584977 /nfs/dbraw/zinc/58/49/77/569584977.db2.gz JIWMEEZNRAZAJW-SGQUHAKNSA-N -1 1 446.559 3.397 40 0 IFABMM Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)[N-]c1ccc(I)cc1 ZINC000223316919 193965997 /nfs/dbraw/zinc/96/59/97/193965997.db2.gz LIFOHIXOYAABNJ-UHFFFAOYSA-N -1 1 430.223 2.835 40 0 IFABMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(I)cc2)ccc1C ZINC000408589787 555946882 /nfs/dbraw/zinc/94/68/82/555946882.db2.gz FMWQJLDKIPJXLP-UHFFFAOYSA-N -1 1 430.267 2.760 40 0 IFABMM COc1ccc(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)cc1C(=O)N1CCOCC1 ZINC000408693297 556093835 /nfs/dbraw/zinc/09/38/35/556093835.db2.gz NAVHYGPYTZMVJF-UHFFFAOYSA-N -1 1 434.514 2.756 40 0 IFABMM CCOC(=O)N1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)CC1 ZINC000013679815 556556211 /nfs/dbraw/zinc/55/62/11/556556211.db2.gz ZLHKLLYUEZEYRI-UHFFFAOYSA-N -1 1 431.514 2.710 40 0 IFABMM Cn1c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)cc2n(C)c1=O ZINC000013682516 556557708 /nfs/dbraw/zinc/55/77/08/556557708.db2.gz IJAMBDDJIMGIMD-UHFFFAOYSA-N -1 1 436.493 2.930 40 0 IFABMM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(C(C)=O)cc1)CC(=O)N2 ZINC000040390457 556637449 /nfs/dbraw/zinc/63/74/49/556637449.db2.gz GRBSWAYYMRBNTN-SJORKVTESA-N -1 1 437.500 2.806 40 0 IFABMM CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[n-]c(=O)c21 ZINC000040390705 556637601 /nfs/dbraw/zinc/63/76/01/556637601.db2.gz NWPWFTCROJBMGK-SFHVURJKSA-N -1 1 443.507 2.960 40 0 IFABMM Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4C(=O)c4ccncc4)[n-]c(=O)c3C2)s1 ZINC000019217022 556712463 /nfs/dbraw/zinc/71/24/63/556712463.db2.gz ABNPMIGYZOPYBW-SFHVURJKSA-N -1 1 449.536 2.711 40 0 IFABMM Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)CC3CCCC3)[n-]c(=O)c2C1 ZINC000019239470 556725029 /nfs/dbraw/zinc/72/50/29/556725029.db2.gz BPNKGCHADBWTAJ-OAQYLSRUSA-N -1 1 449.555 2.916 40 0 IFABMM O=C(c1cccnc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCCC1)CC2 ZINC000019337630 556738743 /nfs/dbraw/zinc/73/87/43/556738743.db2.gz GJZRAUWHOKQIOW-OAQYLSRUSA-N -1 1 449.555 2.997 40 0 IFABMM O=C(c1ccncc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2 ZINC000019404869 556754423 /nfs/dbraw/zinc/75/44/23/556754423.db2.gz JPIOMHIEZYXPAR-FQEVSTJZSA-N -1 1 435.528 2.607 40 0 IFABMM COc1ccc2c(c1)C[C@H](C(=O)N[C@@H](c1cc(=O)[n-]c(-c3ccccn3)n1)C(C)C)CO2 ZINC000019445559 556755897 /nfs/dbraw/zinc/75/58/97/556755897.db2.gz GMNVDWBKDLUPLK-KSFYIVLOSA-N -1 1 434.496 2.905 40 0 IFABMM C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)CC1CCCC1)CC2 ZINC000019463435 556768081 /nfs/dbraw/zinc/76/80/81/556768081.db2.gz VVKVLSORIMQOKI-RIFZZMRRSA-N -1 1 426.561 2.945 40 0 IFABMM C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCCC1)CC2 ZINC000019463425 556768132 /nfs/dbraw/zinc/76/81/32/556768132.db2.gz DBZUUQWHTJEADB-OXFYSEKESA-N -1 1 426.561 2.945 40 0 IFABMM O=C(C1CCC1)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[n-]2)CN(Cc2ccncc2)CC4)C1 ZINC000100233674 557250480 /nfs/dbraw/zinc/25/04/80/557250480.db2.gz NYXKCPZSJKZSBH-LJQANCHMSA-N -1 1 446.555 2.894 40 0 IFABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)c1C ZINC000222837397 557392136 /nfs/dbraw/zinc/39/21/36/557392136.db2.gz JDJMNAQUFODPOV-UHFFFAOYSA-N -1 1 446.481 2.635 40 0 IFABMM Cc1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000016146791 557471708 /nfs/dbraw/zinc/47/17/08/557471708.db2.gz YGLHZTFMIMLXAK-UHFFFAOYSA-N -1 1 433.349 2.809 40 0 IFABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(N3CCCC3=O)c2)ccc1OC ZINC000223785459 557512906 /nfs/dbraw/zinc/51/29/06/557512906.db2.gz DKBCKFNXTLHUHD-UHFFFAOYSA-N -1 1 431.514 2.681 40 0 IFABMM CN1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)cc2)CC1 ZINC000224250265 557581262 /nfs/dbraw/zinc/58/12/62/557581262.db2.gz SGIYQWYMXIXHCM-UHFFFAOYSA-N -1 1 440.569 2.538 40 0 IFABMM Cn1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)cc2sc1=O ZINC000225070764 557685112 /nfs/dbraw/zinc/68/51/12/557685112.db2.gz QPLMCFRIDMBOEY-UHFFFAOYSA-N -1 1 429.523 2.700 40 0 IFABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3CC)ccc1OC ZINC000225100706 557687984 /nfs/dbraw/zinc/68/79/84/557687984.db2.gz AFXKACVPANANJJ-UHFFFAOYSA-N -1 1 435.527 2.642 40 0 IFABMM COc1ccc(C(NC(=O)c2cnc(-c3cccnn3)[n-]c2=O)c2ccc(OC)cc2)cc1 ZINC000143933089 557838773 /nfs/dbraw/zinc/83/87/73/557838773.db2.gz WXLPERVDMILVIF-UHFFFAOYSA-N -1 1 443.463 2.764 40 0 IFABMM O=C(CNC(=O)c1cncc([O-])c1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257262523 568694424 /nfs/dbraw/zinc/69/44/24/568694424.db2.gz LLTBDQQIHFUBSK-MRXNPFEDSA-N -1 1 438.459 2.641 40 0 IFABMM COc1ccc(OC)c([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)c1 ZINC000009409661 569295947 /nfs/dbraw/zinc/29/59/47/569295947.db2.gz NLBUSGYDKDNNBP-FCEWJHQRSA-N -1 1 442.365 2.947 40 0 IFABMM COc1ccc(C(C)C)cc1S(=O)(=O)N1CCc2nc(-c3cnccn3)[n-]c(=O)c2C1 ZINC000012220476 523794595 /nfs/dbraw/zinc/79/45/95/523794595.db2.gz ZPDNMFOHUANGOJ-UHFFFAOYSA-N -1 1 441.513 2.518 40 0 IFABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C(N)=O)CC3)c(Cl)c2)cc1 ZINC000020453337 525597444 /nfs/dbraw/zinc/59/74/44/525597444.db2.gz LNUPKRUYQMWCGB-UHFFFAOYSA-N -1 1 435.933 2.787 40 0 IFABMM COCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408558738 555898070 /nfs/dbraw/zinc/89/80/70/555898070.db2.gz SJFYQJYFLDKTIO-UHFFFAOYSA-N -1 1 433.313 2.936 40 0 IFABMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)c1 ZINC000408597948 555956125 /nfs/dbraw/zinc/95/61/25/555956125.db2.gz WYENETWWAGYSQC-HNNXBMFYSA-N -1 1 433.530 2.985 40 0 IFABMM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1)C(=O)NC1CCCCC1 ZINC000408593904 555960136 /nfs/dbraw/zinc/96/01/36/555960136.db2.gz QNWNLQRCCBQXAM-HNNXBMFYSA-N -1 1 445.541 2.803 40 0 IFABMM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)OC)cc(C(=O)OC)c2)ccc1C ZINC000408601730 555970192 /nfs/dbraw/zinc/97/01/92/555970192.db2.gz GUUKBDKNCKREMY-UHFFFAOYSA-N -1 1 448.497 2.509 40 0 IFABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCOC(C)C)cc2)c1 ZINC000408601769 555970510 /nfs/dbraw/zinc/97/05/10/555970510.db2.gz HEPAKLGVFIDUMQ-UHFFFAOYSA-N -1 1 436.530 2.806 40 0 IFABMM COCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1C ZINC000408602196 555971237 /nfs/dbraw/zinc/97/12/37/555971237.db2.gz IHLWEFJRXIOKRT-UHFFFAOYSA-N -1 1 427.320 2.935 40 0 IFABMM CCOC(=O)N1CCN(C(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000010112911 556326260 /nfs/dbraw/zinc/32/62/60/556326260.db2.gz ZYPLCQTWMAUWGQ-UHFFFAOYSA-N -1 1 431.514 2.710 40 0 IFABMM Cc1cc(=O)[n-]c(SCC(=O)N2c3ccccc3CO[C@@]23c2ccccc2N(C)C3=O)n1 ZINC000010157804 556327513 /nfs/dbraw/zinc/32/75/13/556327513.db2.gz LLGOXPYKPMVLTI-HSZRJFAPSA-N -1 1 448.504 2.976 40 0 IFABMM Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[n-]c(=O)c21 ZINC000040390695 556637675 /nfs/dbraw/zinc/63/76/75/556637675.db2.gz LNSSXFPWNHAHNJ-QGZVFWFLSA-N -1 1 429.480 2.706 40 0 IFABMM O=C(NCCc1ccccc1)[C@H]1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000040399378 556642100 /nfs/dbraw/zinc/64/21/00/556642100.db2.gz WTGZRFDBCLHIFS-INIZCTEOSA-N -1 1 437.887 2.952 40 0 IFABMM CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4OC)[n-]c(=O)c32)cc1 ZINC000040400025 556642905 /nfs/dbraw/zinc/64/29/05/556642905.db2.gz LOOVQMXVGOMHDN-OAHLLOKOSA-N -1 1 449.467 2.985 40 0 IFABMM Cc1cccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(C(=O)C2CC2)CC3)c1 ZINC000019234763 556719012 /nfs/dbraw/zinc/71/90/12/556719012.db2.gz FZKFDOCDLOOJCN-OAQYLSRUSA-N -1 1 434.540 2.669 40 0 IFABMM Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3CC=CCC3)[n-]c(=O)c2C1 ZINC000019239451 556724718 /nfs/dbraw/zinc/72/47/18/556724718.db2.gz YBLZJYVMYQWYCS-DYESRHJHSA-N -1 1 447.539 2.692 40 0 IFABMM O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCCN3C(=O)c3cccnc3)[n-]c(=O)c2C1 ZINC000019337534 556738753 /nfs/dbraw/zinc/73/87/53/556738753.db2.gz KAVKSDDAJXJMAH-OAQYLSRUSA-N -1 1 449.555 2.997 40 0 IFABMM O=C(c1ccncc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCCC1)CC2 ZINC000019404875 556754596 /nfs/dbraw/zinc/75/45/96/556754596.db2.gz BMPKCGIIGUZWPE-NRFANRHFSA-N -1 1 449.555 2.997 40 0 IFABMM C[C@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCCC1)CC2 ZINC000019463431 556768087 /nfs/dbraw/zinc/76/80/87/556768087.db2.gz DBZUUQWHTJEADB-XAUMDUMWSA-N -1 1 426.561 2.945 40 0 IFABMM C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCCC1)CC2 ZINC000019463427 556768102 /nfs/dbraw/zinc/76/81/02/556768102.db2.gz DBZUUQWHTJEADB-RIFZZMRRSA-N -1 1 426.561 2.945 40 0 IFABMM C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)CC1CCCC1)CC2 ZINC000019463437 556768113 /nfs/dbraw/zinc/76/81/13/556768113.db2.gz VVKVLSORIMQOKI-WRWLIDTKSA-N -1 1 426.561 2.945 40 0 IFABMM CCN1C(=O)N/C(=C\c2cc(Br)cc(I)c2[O-])C1=O ZINC000409166009 556982224 /nfs/dbraw/zinc/98/22/24/556982224.db2.gz BXMYLCIQHHEKHY-WTKPLQERSA-N -1 1 437.031 2.672 40 0 IFABMM O=C([O-])[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1)c1ccccc1 ZINC000101375653 557123825 /nfs/dbraw/zinc/12/38/25/557123825.db2.gz NTLOSRFHIIJIAF-IHIBHSRISA-N -1 1 449.551 2.566 40 0 IFABMM O=C(C1CC1)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[n-]2)CN(Cc2ccncc2)CC4)C1 ZINC000100233651 557250608 /nfs/dbraw/zinc/25/06/08/557250608.db2.gz KABCDEAAUUJDFP-GOSISDBHSA-N -1 1 432.528 2.504 40 0 IFABMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cc1C(=O)N1CCCC1 ZINC000223783058 557512652 /nfs/dbraw/zinc/51/26/52/557512652.db2.gz JILOKVMEARNAMG-UHFFFAOYSA-N -1 1 443.525 2.859 40 0 IFABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1[N-]S(C)(=O)=O ZINC000225471774 557726894 /nfs/dbraw/zinc/72/68/94/557726894.db2.gz MSQUSSNTQDARPE-MOPGFXCFSA-N -1 1 443.554 2.967 40 0 IFABMM CN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(Cl)c2)C[C@H]1NC(=O)CCC(=O)[O-] ZINC000257309055 568715097 /nfs/dbraw/zinc/71/50/97/568715097.db2.gz TZIMCXNYYRDOBN-VKGYTVAMSA-N -1 1 446.931 2.702 40 0 IFABMM CN1CCN(c2ccc(C(=O)[N-]S(=O)(=O)c3ccccc3C(F)(F)F)cc2)CC1 ZINC000257319854 568720051 /nfs/dbraw/zinc/72/00/51/568720051.db2.gz VUIAPVPFNTWBIT-UHFFFAOYSA-N -1 1 427.448 2.576 40 0 IFABMM O=C([O-])c1ccc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1O ZINC000106446233 569250427 /nfs/dbraw/zinc/25/04/27/569250427.db2.gz SPYBVEWMODTHLX-XFFZJAGNSA-N -1 1 435.820 2.627 40 0 IFABMM O=C([O-])COc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000106194299 569250486 /nfs/dbraw/zinc/25/04/86/569250486.db2.gz HTQHDKPTHKKRLC-JYRVWZFOSA-N -1 1 449.847 2.686 40 0 IFABMM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccccc1OC)CC(=O)N2 ZINC000139114781 569254823 /nfs/dbraw/zinc/25/48/23/569254823.db2.gz WLZUNKFCSNMBFW-UONOGXRCSA-N -1 1 425.489 2.612 40 0 IFABMM COc1cc2c(cc1OC)[C@@]1(O)C(=O)c3c(O)cc([O-])c(CC=C(C)C)c3O[C@H]1CO2 ZINC000049181365 291345760 /nfs/dbraw/zinc/34/57/60/291345760.db2.gz LAUJMTGOOIBBOB-CVDCTZTESA-N -1 1 428.437 2.848 40 0 biogenic,in-vitro IFABMM COc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)ccc1O ZINC000035066397 522963009 /nfs/dbraw/zinc/96/30/09/522963009.db2.gz QCKNOIILUDZJLU-RKVPGOIHSA-N -1 1 428.338 2.644 40 0 IFABMM COc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1F ZINC000408694402 556096450 /nfs/dbraw/zinc/09/64/50/556096450.db2.gz FTRPAIKEDKPZGD-UHFFFAOYSA-N -1 1 428.507 2.810 40 0 IFABMM CN1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000014867826 556451836 /nfs/dbraw/zinc/45/18/36/556451836.db2.gz FFXFLXLLXAYZOX-UHFFFAOYSA-N -1 1 445.566 2.577 40 0 IFABMM COc1ccc(S(=O)(=O)N2CCC[C@@H](c3cc(=O)[n-]c(-c4cnc(C)cn4)n3)C2)cc1 ZINC000013227799 556500261 /nfs/dbraw/zinc/50/02/61/556500261.db2.gz VXMCMLDVNGUWIV-OAHLLOKOSA-N -1 1 441.513 2.525 40 0 IFABMM COc1ccc(S(=O)(=O)N2CCC[C@H](c3cc(=O)[n-]c(-c4cnc(C)cn4)n3)C2)cc1 ZINC000013227800 556500345 /nfs/dbraw/zinc/50/03/45/556500345.db2.gz VXMCMLDVNGUWIV-HNNXBMFYSA-N -1 1 441.513 2.525 40 0 IFABMM O=C(NCCc1ccccc1)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000040399289 556641851 /nfs/dbraw/zinc/64/18/51/556641851.db2.gz VFKXFWKRWHBABK-MRXNPFEDSA-N -1 1 437.887 2.952 40 0 IFABMM O=C(CC1CCCCC1)N1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3CCCO3)[n-]c(=O)c2C1 ZINC000019014761 556691921 /nfs/dbraw/zinc/69/19/21/556691921.db2.gz OQCFKGFYXVRMBZ-PMACEKPBSA-N -1 1 442.560 2.880 40 0 IFABMM Cc1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CN(C(=O)C2CCCC2)CC3)on1 ZINC000019119898 556700863 /nfs/dbraw/zinc/70/08/63/556700863.db2.gz LIYVFMTVLGNVJU-SFHVURJKSA-N -1 1 439.516 2.921 40 0 IFABMM Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)C[C@H]3C=CCC3)[n-]c(=O)c2C1 ZINC000019239464 556724707 /nfs/dbraw/zinc/72/47/07/556724707.db2.gz JISJDTQWXUEIJY-UWJYYQICSA-N -1 1 447.539 2.692 40 0 IFABMM Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)C[C@@H]3C=CCC3)[n-]c(=O)c2C1 ZINC000019239467 556724802 /nfs/dbraw/zinc/72/48/02/556724802.db2.gz JISJDTQWXUEIJY-DYESRHJHSA-N -1 1 447.539 2.692 40 0 IFABMM CSCC[C@@H](NC(=O)c1c2c(nn1C)CCCC2)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019288655 556728845 /nfs/dbraw/zinc/72/88/45/556728845.db2.gz SASYQVQZBVDDBY-MRXNPFEDSA-N -1 1 438.557 2.668 40 0 IFABMM O=C(c1cccnc1)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccccc3)[n-]c(=O)c2C1 ZINC000019368840 556746857 /nfs/dbraw/zinc/74/68/57/556746857.db2.gz XBCVXLYKUROQDP-NRFANRHFSA-N -1 1 443.507 2.731 40 0 IFABMM Cc1n[nH]c(C)c1CC(=O)N[C@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000019578778 556816226 /nfs/dbraw/zinc/81/62/26/556816226.db2.gz FWZVBMYUZVIGAH-OAQYLSRUSA-N -1 1 428.496 2.815 40 0 IFABMM Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc([O-])c(Br)c3)C2=O)c1 ZINC000409102151 556956027 /nfs/dbraw/zinc/95/60/27/556956027.db2.gz YEKWKJMFCBHRDW-OQLLNIDSSA-N -1 1 430.258 2.995 40 0 IFABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)NCCSc3nc[nH]n3)cc2)cc1 ZINC000222874813 557396727 /nfs/dbraw/zinc/39/67/27/557396727.db2.gz BIEIKNUWALPFRF-UHFFFAOYSA-N -1 1 445.570 2.755 40 0 IFABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2C)c(C)c1 ZINC000014155563 557427138 /nfs/dbraw/zinc/42/71/38/557427138.db2.gz YBGTVHQTRURISY-UHFFFAOYSA-N -1 1 429.542 2.750 40 0 IFABMM COC(=O)c1ccc(NCCCn2ccnc2)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000223420515 557470263 /nfs/dbraw/zinc/47/02/63/557470263.db2.gz ULZYQCWNBRHOAJ-UHFFFAOYSA-N -1 1 444.513 2.981 40 0 IFABMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C)cc1N1CCCC1=O ZINC000225049923 557683002 /nfs/dbraw/zinc/68/30/02/557683002.db2.gz KFQVDPQVFFXNJG-UHFFFAOYSA-N -1 1 433.511 2.536 40 0 IFABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1[N-]S(C)(=O)=O ZINC000225471810 557726952 /nfs/dbraw/zinc/72/69/52/557726952.db2.gz MSQUSSNTQDARPE-RBUKOAKNSA-N -1 1 443.554 2.967 40 0 IFABMM CN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2F)C[C@H]1NC(=O)CCCC(=O)[O-] ZINC000257224439 568676300 /nfs/dbraw/zinc/67/63/00/568676300.db2.gz FBVLANCPGVHGAO-YKBLPDKLSA-N -1 1 444.503 2.578 40 0 IFABMM COc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@H](C)CCC[C@H]4C)[n-]c(=O)c32)c1 ZINC000059816925 569249749 /nfs/dbraw/zinc/24/97/49/569249749.db2.gz YIAMWWRGSRWYIH-XJKCOSOUSA-N -1 1 425.489 2.610 40 0 IFABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCN3CCOCC3)c(Cl)c2)cc1 ZINC000020454926 525599736 /nfs/dbraw/zinc/59/97/36/525599736.db2.gz TXOFSDYQQMIBHB-UHFFFAOYSA-N -1 1 437.949 2.511 40 0 IFABMM O=C1N[C@@H](c2ccc3c(c2)OCO3)C(=C([O-])c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000035092951 526690846 /nfs/dbraw/zinc/69/08/46/526690846.db2.gz DDDPLLOHRYKKSO-RLFYNMQTSA-N -1 1 426.322 2.658 40 0 IFABMM Cc1cc(S(=O)(=O)Nc2nc(N)n(-c3cnc4ccccc4n3)n2)c([S-])cc1Cl ZINC000001645177 555708311 /nfs/dbraw/zinc/70/83/11/555708311.db2.gz JDXCACKYBVTQAC-UHFFFAOYSA-N -1 1 447.933 2.844 40 0 IFABMM O=C(C=C([O-])c1cnc(NS(=O)(=O)c2ccccc2)nc1)c1ccc2c(c1)OCCO2 ZINC000408529930 555721520 /nfs/dbraw/zinc/72/15/20/555721520.db2.gz HZYXJILMTJMZDX-UHFFFAOYSA-N -1 1 439.449 2.504 40 0 IFABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2C)c1 ZINC000408549043 555851393 /nfs/dbraw/zinc/85/13/93/555851393.db2.gz WBQUCCJDKSGUSY-UHFFFAOYSA-N -1 1 429.542 2.750 40 0 IFABMM COCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408559948 555899568 /nfs/dbraw/zinc/89/95/68/555899568.db2.gz NREONYQGQPRAIS-UHFFFAOYSA-N -1 1 433.313 2.936 40 0 IFABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)cc2)c1 ZINC000408603544 555972567 /nfs/dbraw/zinc/97/25/67/555972567.db2.gz KSDVICLFRYTJQS-UHFFFAOYSA-N -1 1 427.482 2.586 40 0 IFABMM COC(=O)C(=C([O-])C(=O)Nc1ccccc1C(C)=O)c1nc2ccc(Cl)cc2[nH]c1=O ZINC000008653480 556196805 /nfs/dbraw/zinc/19/68/05/556196805.db2.gz NWTHLIWIZUXDIM-MRXNPFEDSA-N -1 1 441.827 2.656 40 0 IFABMM Cc1cc(=O)[n-]c(SCC(=O)N2c3ccccc3CO[C@]23c2ccccc2N(C)C3=O)n1 ZINC000010157805 556327528 /nfs/dbraw/zinc/32/75/28/556327528.db2.gz LLGOXPYKPMVLTI-QHCPKHFHSA-N -1 1 448.504 2.976 40 0 IFABMM Cc1c(Br)cc(NC(=O)CSc2nc(N)cc(=O)[n-]2)cc1Br ZINC000036612300 556506615 /nfs/dbraw/zinc/50/66/15/556506615.db2.gz FQBREXVCYIBFBB-UHFFFAOYSA-N -1 1 448.140 2.916 40 0 IFABMM CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000040389043 556636634 /nfs/dbraw/zinc/63/66/34/556636634.db2.gz NANBQBIUWYNYBP-XJKSGUPXSA-N -1 1 425.489 2.612 40 0 IFABMM CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(OC)cc4)[n-]c(=O)c32)cc1 ZINC000040399835 556642755 /nfs/dbraw/zinc/64/27/55/556642755.db2.gz LGRIUEHLJONCNO-KRWDZBQOSA-N -1 1 449.467 2.985 40 0 IFABMM Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CN(C(=O)C2CCCC2)CC3)cn1 ZINC000019214895 556711620 /nfs/dbraw/zinc/71/16/20/556711620.db2.gz VNGMJZZYCFGFCQ-NRFANRHFSA-N -1 1 449.555 2.916 40 0 IFABMM Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)C[C@H]3C=CCC3)[n-]c(=O)c2C1 ZINC000019239465 556724827 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CS(=O)(=O)c1c[n-]nc1[C@@H]1CCCN(C(=O)C2(Cc3ccccc3)CCOCC2)C1 ZINC000257207292 568668680 /nfs/dbraw/zinc/66/86/80/568668680.db2.gz BHCSITJBAALILM-GOSISDBHSA-N -1 1 431.558 2.559 40 0 IFABMM CS(=O)(=O)c1cn[n-]c1[C@@H]1CCCN(C(=O)C2(Cc3ccccc3)CCOCC2)C1 ZINC000257207292 568668681 /nfs/dbraw/zinc/66/86/81/568668681.db2.gz BHCSITJBAALILM-GOSISDBHSA-N -1 1 431.558 2.559 40 0 IFABMM CCOc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000033647878 569245249 /nfs/dbraw/zinc/24/52/49/569245249.db2.gz DELSKUUKDNZPRT-UHFFFAOYSA-N -1 1 443.456 2.997 40 0 IFABMM CCOc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000033647878 569245250 /nfs/dbraw/zinc/24/52/50/569245250.db2.gz DELSKUUKDNZPRT-UHFFFAOYSA-N -1 1 443.456 2.997 40 0 IFABMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000033647878 569245251 /nfs/dbraw/zinc/24/52/51/569245251.db2.gz DELSKUUKDNZPRT-UHFFFAOYSA-N -1 1 443.456 2.997 40 0 IFABMM O=C([O-])Cc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 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/nfs/dbraw/zinc/93/95/02/555939502.db2.gz CSMAPKRJYODPTD-HNNXBMFYSA-N -1 1 434.514 2.956 40 0 IFABMM CSc1ccccc1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 ZINC000408613119 555978437 /nfs/dbraw/zinc/97/84/37/555978437.db2.gz ZWVDKAFPYLWZRK-OAHLLOKOSA-N -1 1 436.555 2.835 40 0 IFABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1C(=O)N1CCOCC1 ZINC000408693550 556099514 /nfs/dbraw/zinc/09/95/14/556099514.db2.gz ZPUBIUGLIDZRQT-UHFFFAOYSA-N -1 1 444.431 2.987 40 0 IFABMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(I)c2)c1 ZINC000010112234 556325961 /nfs/dbraw/zinc/32/59/61/556325961.db2.gz ZGYIDOLPPLOXGM-UHFFFAOYSA-N -1 1 447.250 2.887 40 0 IFABMM COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000038828434 556620321 /nfs/dbraw/zinc/62/03/21/556620321.db2.gz AUGWQUXFVSSKIN-ZENOOKHLSA-N -1 1 425.489 2.610 40 0 IFABMM CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(OC)cc3)[n-]c(=O)c21 ZINC000040399839 556642725 /nfs/dbraw/zinc/64/27/25/556642725.db2.gz 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1 434.496 2.905 40 0 IFABMM COc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[n-]c(=O)c32)c1 ZINC000059816919 556804603 /nfs/dbraw/zinc/80/46/03/556804603.db2.gz YIAMWWRGSRWYIH-HEHGZKQESA-N -1 1 425.489 2.610 40 0 IFABMM COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000059816869 556804652 /nfs/dbraw/zinc/80/46/52/556804652.db2.gz AUGWQUXFVSSKIN-HEHGZKQESA-N -1 1 425.489 2.610 40 0 IFABMM Cc1cc(C)n(CC(=O)N[C@@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccc(F)cc2)n1 ZINC000019573424 556813833 /nfs/dbraw/zinc/81/38/33/556813833.db2.gz MWPGNMTZHKEQNP-NRFANRHFSA-N -1 1 446.486 2.885 40 0 IFABMM Cc1ncccc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2 ZINC000019582912 556820468 /nfs/dbraw/zinc/82/04/68/556820468.db2.gz BHGZMPMTNGFADJ-OAQYLSRUSA-N -1 1 449.555 2.916 40 0 IFABMM O=C(NCCC[NH+]1CCOCC1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000216237570 557140956 /nfs/dbraw/zinc/14/09/56/557140956.db2.gz QZDLWSVGSIFHHE-UHFFFAOYSA-N -1 1 437.949 2.593 40 0 IFABMM CCOC(=O)c1cc2oc([C@@H](c3nnnn3C3CCCCC3)N3CCOCC3)cc2[n-]1 ZINC000026440463 557241375 /nfs/dbraw/zinc/24/13/75/557241375.db2.gz VUKNJWUZHOXJBW-IBGZPJMESA-N -1 1 428.493 2.851 40 0 IFABMM CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)CNC(=O)[O-])cc1 ZINC000026894790 557250581 /nfs/dbraw/zinc/25/05/81/557250581.db2.gz XXFUHIFHZDPFKL-UHFFFAOYSA-N -1 1 434.470 2.889 40 0 IFABMM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N(C)C)ccc2C)cc1 ZINC000223000383 557413848 /nfs/dbraw/zinc/41/38/48/557413848.db2.gz YVYWFWXJKYSPKH-UHFFFAOYSA-N -1 1 441.531 2.615 40 0 IFABMM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(C)c(C(=O)OC)c3)n2)cc1 ZINC000223614326 557492042 /nfs/dbraw/zinc/49/20/42/557492042.db2.gz JQCGUWXFIKEYLI-UHFFFAOYSA-N -1 1 431.470 2.709 40 0 IFABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC3)cc2)ccc1OC ZINC000223785840 557512910 /nfs/dbraw/zinc/51/29/10/557512910.db2.gz XPGCVAYRDAYMFV-UHFFFAOYSA-N -1 1 445.541 2.872 40 0 IFABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1[N-]S(C)(=O)=O ZINC000225471844 557726863 /nfs/dbraw/zinc/72/68/63/557726863.db2.gz MSQUSSNTQDARPE-RTBURBONSA-N -1 1 443.554 2.967 40 0 IFABMM Cc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)n2)cc1 ZINC000225659322 557758230 /nfs/dbraw/zinc/75/82/30/557758230.db2.gz BDBYXUJNWZOFOX-UHFFFAOYSA-N -1 1 438.509 2.823 40 0 IFABMM CCc1nnc([N-]c2cccc([C@H]3CN(C(=O)CN4CCCCCC4=O)CCO3)n2)s1 ZINC000257220487 568674632 /nfs/dbraw/zinc/67/46/32/568674632.db2.gz DLAUDXHTZYNVFN-MRXNPFEDSA-N -1 1 444.561 2.542 40 0 IFABMM COc1ccc([C@H]2c3c(=O)[nH][n-]c3C[C@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1OC ZINC000009408880 569215205 /nfs/dbraw/zinc/21/52/05/569215205.db2.gz QDGMPZMXICCCNO-LEEZEASISA-N -1 1 438.480 2.931 40 0 IFABMM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(OC)cc1)CC(=O)N2 ZINC000139109541 569254790 /nfs/dbraw/zinc/25/47/90/569254790.db2.gz QEJGZXVOGCBZPE-GDBMZVCRSA-N -1 1 425.489 2.612 40 0 IFABMM N[C@]1(C(=O)[O-])[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252515216 569288133 /nfs/dbraw/zinc/28/81/33/569288133.db2.gz HWWKMWIHOCUIIC-SQWLQELKSA-N -1 1 430.707 2.824 40 0 IFABMM COC(=O)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)cc1 ZINC000008915373 569292312 /nfs/dbraw/zinc/29/23/12/569292312.db2.gz WJJKXBNBEFDEDD-KHYOSLBOSA-N -1 1 440.349 2.716 40 0 IFABMM COc1cccc(O[C@@H](C)C(=O)N2CCC(c3cc(=O)[n-]c(-c4cnccn4)n3)CC2)c1 ZINC000012219673 526237929 /nfs/dbraw/zinc/23/79/29/526237929.db2.gz OOJZGPBNKNYUFT-HNNXBMFYSA-N -1 1 435.484 2.821 40 0 IFABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)cc2)c1 ZINC000408602158 555971247 /nfs/dbraw/zinc/97/12/47/555971247.db2.gz HZMHQMQDABNKAR-UHFFFAOYSA-N -1 1 427.482 2.586 40 0 IFABMM CSc1ccccc1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 ZINC000408613116 555978433 /nfs/dbraw/zinc/97/84/33/555978433.db2.gz ZWVDKAFPYLWZRK-HNNXBMFYSA-N -1 1 436.555 2.835 40 0 IFABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)cc2)c1 ZINC000408608636 555979001 /nfs/dbraw/zinc/97/90/01/555979001.db2.gz RQNUWQNPOXRYTQ-UHFFFAOYSA-N -1 1 427.482 2.586 40 0 IFABMM COc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)cc1OC ZINC000012946440 556417853 /nfs/dbraw/zinc/41/78/53/556417853.db2.gz SAKMJRLYVPELEG-FRQCXROJSA-N -1 1 442.365 2.947 40 0 IFABMM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccccc1OC)CC(=O)N2 ZINC000040390553 556637373 /nfs/dbraw/zinc/63/73/73/556637373.db2.gz WLZUNKFCSNMBFW-KGLIPLIRSA-N -1 1 425.489 2.612 40 0 IFABMM CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(OC)cc3)[n-]c(=O)c21 ZINC000040399837 556642711 /nfs/dbraw/zinc/64/27/11/556642711.db2.gz NBTABXBBBVMYBW-OAHLLOKOSA-N -1 1 449.467 2.985 40 0 IFABMM Cc1cnc(C(=O)N[C@@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccc(F)cc2)cn1 ZINC000019238970 556724466 /nfs/dbraw/zinc/72/44/66/556724466.db2.gz DWNREEZPFOHSTE-IBGZPJMESA-N -1 1 430.443 2.783 40 0 IFABMM Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3CC=CCC3)[n-]c(=O)c2C1 ZINC000019239448 556724691 /nfs/dbraw/zinc/72/46/91/556724691.db2.gz YBLZJYVMYQWYCS-UWJYYQICSA-N -1 1 447.539 2.692 40 0 IFABMM O=C(c1ccccn1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCCC1)CC2 ZINC000019400143 556752814 /nfs/dbraw/zinc/75/28/14/556752814.db2.gz PGSPKYJMAHEJBV-NRFANRHFSA-N -1 1 449.555 2.997 40 0 IFABMM Cc1ncc(C(=O)N[C@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccccc2)c(C)n1 ZINC000019552542 556796260 /nfs/dbraw/zinc/79/62/60/556796260.db2.gz XQPLUMLFLARVAQ-OAQYLSRUSA-N -1 1 426.480 2.953 40 0 IFABMM COc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[n-]c(=O)c32)c1 ZINC000059816914 556804579 /nfs/dbraw/zinc/80/45/79/556804579.db2.gz YIAMWWRGSRWYIH-DVOMOZLQSA-N -1 1 425.489 2.610 40 0 IFABMM CCCc1n[n-]c(=S)n1NCc1cc(Br)c(OCC(N)=O)c(OCC)c1 ZINC000022109844 557178400 /nfs/dbraw/zinc/17/84/00/557178400.db2.gz YTVLYOGVMYJZFW-UHFFFAOYSA-N -1 1 444.355 2.662 40 0 IFABMM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)c2cccnc12 ZINC000223249019 557451002 /nfs/dbraw/zinc/45/10/02/557451002.db2.gz IEQPRAMNODBVDI-UHFFFAOYSA-N -1 1 429.498 2.820 40 0 IFABMM O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3cccc(N4CCCC4=O)c3)ccc21 ZINC000224929175 557668027 /nfs/dbraw/zinc/66/80/27/557668027.db2.gz CKNNRDOMLJVWKY-UHFFFAOYSA-N -1 1 425.510 2.913 40 0 IFABMM O=C(CNC(=O)c1cncc([O-])c1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257315785 568718009 /nfs/dbraw/zinc/71/80/09/568718009.db2.gz VCTGNQFMLXHONQ-FQEVSTJZSA-N -1 1 438.459 2.989 40 0 IFABMM COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)[n-]c(=O)c21 ZINC000253564241 569208827 /nfs/dbraw/zinc/20/88/27/569208827.db2.gz GHGHXLOTDDQLCQ-ZIAGYGMSSA-N -1 1 425.489 2.943 40 0 IFABMM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cc(C)ccc1OC)CC(=O)N2 ZINC000139119245 569254742 /nfs/dbraw/zinc/25/47/42/569254742.db2.gz YSHGITFKPHSHGR-HUUCEWRRSA-N -1 1 439.516 2.920 40 0 IFABMM Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@H]1c1nccnc1[N-]c1nc(C)cc(C)n1 ZINC000585292931 569585008 /nfs/dbraw/zinc/58/50/08/569585008.db2.gz UJQAPNVGQCYLPL-SGQUHAKNSA-N -1 1 432.532 3.354 40 0 IFABMM COc1ccc(CC(=O)N2CCC[C@H](c3cc(=O)[n-]c(-c4cnccn4)n3)C2)cc1OC ZINC000012329141 523893543 /nfs/dbraw/zinc/89/35/43/523893543.db2.gz FZEPDDPALNOVTN-INIZCTEOSA-N -1 1 435.484 2.605 40 0 IFABMM Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C4CC4)nn3-c3nc(C)c(C)c(=O)[n-]3)CC2=O)cc1 ZINC000012127331 524980440 /nfs/dbraw/zinc/98/04/40/524980440.db2.gz FSLPZVOESKSHID-KRWDZBQOSA-N -1 1 446.511 2.750 40 0 IFABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)cc1 ZINC000408586884 555939467 /nfs/dbraw/zinc/93/94/67/555939467.db2.gz CSMAPKRJYODPTD-OAHLLOKOSA-N -1 1 434.514 2.956 40 0 IFABMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c1C ZINC000408693087 556093051 /nfs/dbraw/zinc/09/30/51/556093051.db2.gz GFYOJRDTELWRQG-UHFFFAOYSA-N -1 1 432.498 2.827 40 0 IFABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N3CCC(C(N)=O)CC3)c2)cc1 ZINC000030853622 556509673 /nfs/dbraw/zinc/50/96/73/556509673.db2.gz OZTVFTJJRYBAAA-UHFFFAOYSA-N -1 1 435.933 2.787 40 0 IFABMM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cccc(OC)c1)CC(=O)N2 ZINC000040390503 556637280 /nfs/dbraw/zinc/63/72/80/556637280.db2.gz QAUQKLLMAGBFJF-HOCLYGCPSA-N -1 1 425.489 2.612 40 0 IFABMM O=C(NCCc1ccccc1)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000040399290 556641750 /nfs/dbraw/zinc/64/17/50/556641750.db2.gz VFKXFWKRWHBABK-INIZCTEOSA-N -1 1 437.887 2.952 40 0 IFABMM COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2cc(C)ccc2OC)CC(=O)N3)cc1 ZINC000040399936 556642737 /nfs/dbraw/zinc/64/27/37/556642737.db2.gz ZTQARCLKVWLLGL-HNNXBMFYSA-N -1 1 449.467 2.904 40 0 IFABMM COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cc(C)ccc1OC)CC(=O)N2 ZINC000040400130 556642976 /nfs/dbraw/zinc/64/29/76/556642976.db2.gz KKQCXMNVRBLNSS-ZDUSSCGKSA-N -1 1 449.467 2.904 40 0 IFABMM COc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4OC)[n-]c(=O)c32)c1 ZINC000040400150 556642997 /nfs/dbraw/zinc/64/29/97/556642997.db2.gz VYLZLYYMZOLZAX-AWEZNQCLSA-N -1 1 449.467 2.904 40 0 IFABMM Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(C(=O)C2CC2)CC3)cc1 ZINC000019209742 556708528 /nfs/dbraw/zinc/70/85/28/556708528.db2.gz GNTVCKHFJVLWGE-OAQYLSRUSA-N -1 1 434.540 2.669 40 0 IFABMM Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CN(C(=O)C2CC2)CC3)cc1 ZINC000019209746 556708856 /nfs/dbraw/zinc/70/88/56/556708856.db2.gz GNTVCKHFJVLWGE-NRFANRHFSA-N -1 1 434.540 2.669 40 0 IFABMM Cc1cnc(C(=O)N[C@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccc(F)cc2)cn1 ZINC000019238972 556724477 /nfs/dbraw/zinc/72/44/77/556724477.db2.gz DWNREEZPFOHSTE-LJQANCHMSA-N -1 1 430.443 2.783 40 0 IFABMM Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)C[C@@H]3C=CCC3)[n-]c(=O)c2C1 ZINC000019239466 556724687 /nfs/dbraw/zinc/72/46/87/556724687.db2.gz JISJDTQWXUEIJY-UTKZUKDTSA-N -1 1 447.539 2.692 40 0 IFABMM Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3CC=CCC3)[n-]c(=O)c2C1 ZINC000019239450 556724728 /nfs/dbraw/zinc/72/47/28/556724728.db2.gz YBLZJYVMYQWYCS-UTKZUKDTSA-N -1 1 447.539 2.692 40 0 IFABMM Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)C3CCCCC3)[n-]c(=O)c2C1 ZINC000019239454 556724761 /nfs/dbraw/zinc/72/47/61/556724761.db2.gz XWLIUARWVUFZOV-NRFANRHFSA-N -1 1 449.555 2.916 40 0 IFABMM O=C(c1cccnc1)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccccc3)[n-]c(=O)c2C1 ZINC000019368843 556746885 /nfs/dbraw/zinc/74/68/85/556746885.db2.gz XBCVXLYKUROQDP-OAQYLSRUSA-N -1 1 443.507 2.731 40 0 IFABMM O=C(CC1CCCCC1)N1CCc2nc([C@@H]3CCCN3C(=O)c3ccccn3)[n-]c(=O)c2C1 ZINC000019400044 556752563 /nfs/dbraw/zinc/75/25/63/556752563.db2.gz OGDZPYCOOXQPPH-NRFANRHFSA-N -1 1 449.555 2.997 40 0 IFABMM O=C(c1ccccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCCC1)CC2 ZINC000019400146 556752822 /nfs/dbraw/zinc/75/28/22/556752822.db2.gz PGSPKYJMAHEJBV-OAQYLSRUSA-N -1 1 449.555 2.997 40 0 IFABMM C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCCC1)CC2 ZINC000019463429 556768135 /nfs/dbraw/zinc/76/81/35/556768135.db2.gz DBZUUQWHTJEADB-WRWLIDTKSA-N -1 1 426.561 2.945 40 0 IFABMM Cc1ncccc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2 ZINC000019582915 556820335 /nfs/dbraw/zinc/82/03/35/556820335.db2.gz BHGZMPMTNGFADJ-NRFANRHFSA-N -1 1 449.555 2.916 40 0 IFABMM COc1ccc(NC(=O)CSc2nc(NS(=O)(=O)c3ccccc3)cc(=O)[n-]2)cc1 ZINC000008582926 556842356 /nfs/dbraw/zinc/84/23/56/556842356.db2.gz QFQKHZIFKGTBCE-UHFFFAOYSA-N -1 1 446.510 2.722 40 0 aggregator IFABMM COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc([O-])c(Br)c2)C1=O ZINC000409247535 557028931 /nfs/dbraw/zinc/02/89/31/557028931.db2.gz DDBGZJFYIFUBKL-NTEUORMPSA-N -1 1 446.257 2.695 40 0 IFABMM COc1cc(CNn2c(C)n[n-]c2=S)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000022111403 557178992 /nfs/dbraw/zinc/17/89/92/557178992.db2.gz ZTAARTXMDAKJSZ-UHFFFAOYSA-N -1 1 438.517 2.865 40 0 IFABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000022111040 557179210 /nfs/dbraw/zinc/17/92/10/557179210.db2.gz QKUDXGWOUKLNGJ-UHFFFAOYSA-N -1 1 449.920 2.886 40 0 IFABMM O=C1N[C@@H](c2ccc3c(c2)OCO3)C(=C([O-])c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1 ZINC000170593799 557216500 /nfs/dbraw/zinc/21/65/00/557216500.db2.gz DDDPLLOHRYKKSO-MPGHIAIKSA-N -1 1 426.322 2.658 40 0 IFABMM O=C(C1CC1)N1CCC[C@H](c2cc3nc4c(c(=O)n3[n-]2)CN(Cc2ccncc2)CC4)C1 ZINC000100233653 557250621 /nfs/dbraw/zinc/25/06/21/557250621.db2.gz KABCDEAAUUJDFP-SFHVURJKSA-N -1 1 432.528 2.504 40 0 IFABMM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)c1 ZINC000222983514 557411334 /nfs/dbraw/zinc/41/13/34/557411334.db2.gz IMOFTXMOESAJLI-UHFFFAOYSA-N -1 1 446.481 2.635 40 0 IFABMM COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccc([O-])cc2O3)cc1OC ZINC000225819682 557780761 /nfs/dbraw/zinc/78/07/61/557780761.db2.gz PYIIUGUKNLGCTJ-UHFFFAOYSA-N -1 1 433.482 2.598 40 0 IFABMM O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000575420963 568863039 /nfs/dbraw/zinc/86/30/39/568863039.db2.gz GXQPXEYMQQFQIT-IBGZPJMESA-N -1 1 444.534 2.558 40 0 IFABMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)cc1 ZINC000575424884 568864966 /nfs/dbraw/zinc/86/49/66/568864966.db2.gz VRNBUFGIBKBJCG-GOSISDBHSA-N -1 1 436.555 2.528 40 0 IFABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1NC(=O)c1ccccc1 ZINC000033741614 569246427 /nfs/dbraw/zinc/24/64/27/569246427.db2.gz CXSYJTGRDASDDG-UHFFFAOYSA-N -1 1 425.466 2.847 40 0 IFABMM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(C(C)=O)cc1)CC(=O)N2 ZINC000139108493 569254708 /nfs/dbraw/zinc/25/47/08/569254708.db2.gz GRBSWAYYMRBNTN-IAGOWNOFSA-N -1 1 437.500 2.806 40 0 IFABMM N[C@@]1(C(=O)[O-])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218242321 569456865 /nfs/dbraw/zinc/45/68/65/569456865.db2.gz HWWKMWIHOCUIIC-DZKIICNBSA-N -1 1 430.707 2.824 40 0 IFABMM COc1cc2c(cc1OC)[C@]1(O)C(=O)c3c(O)cc([O-])c(CC=C(C)C)c3O[C@@H]1CO2 ZINC000049181356 291346073 /nfs/dbraw/zinc/34/60/73/291346073.db2.gz LAUJMTGOOIBBOB-AUSIDOKSSA-N -1 1 428.437 2.848 40 0 biogenic,in-vitro IFABMM COc1ccccc1-c1cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)CCC(=O)[O-])nc(C)n1 ZINC000008622923 291347493 /nfs/dbraw/zinc/34/74/93/291347493.db2.gz IJYVVEGXDPNJLK-SCTDSRPQSA-N -1 1 438.528 2.619 40 0 biogenic,in-vitro IFABMM COc1ccccc1-c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)CCC(=O)[O-])nc(C)n1 ZINC000008622923 291347495 /nfs/dbraw/zinc/34/74/95/291347495.db2.gz IJYVVEGXDPNJLK-SCTDSRPQSA-N -1 1 438.528 2.619 40 0 biogenic,in-vitro IFABMM COc1ccccc1O[C@H](C)C(=O)N1CCC(c2cc(=O)[n-]c(-c3cnccn3)n2)CC1 ZINC000012219678 524690409 /nfs/dbraw/zinc/69/04/09/524690409.db2.gz MUJRPAYDKQNJFB-OAHLLOKOSA-N -1 1 435.484 2.821 40 0 IFABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)NCCCO ZINC000408554530 555884055 /nfs/dbraw/zinc/88/40/55/555884055.db2.gz SYIJVMMFGKMBQS-UHFFFAOYSA-N -1 1 433.313 2.672 40 0 IFABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)NCCCO ZINC000408635400 556012798 /nfs/dbraw/zinc/01/27/98/556012798.db2.gz ALOPHDZGUCSDMJ-UHFFFAOYSA-N -1 1 433.313 2.672 40 0 IFABMM COc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)cc1OC ZINC000008915380 556232415 /nfs/dbraw/zinc/23/24/15/556232415.db2.gz SAKMJRLYVPELEG-MDZRGWNJSA-N -1 1 442.365 2.947 40 0 IFABMM CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@@H]3C)[n-]c(=O)c21 ZINC000040390323 556636950 /nfs/dbraw/zinc/63/69/50/556636950.db2.gz MKSQUBAFHWFNMZ-KBPBESRZSA-N -1 1 425.489 2.612 40 0 IFABMM CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)cc1 ZINC000040390663 556637526 /nfs/dbraw/zinc/63/75/26/556637526.db2.gz KZORVGXKHXXASI-LJQANCHMSA-N -1 1 443.507 2.960 40 0 IFABMM COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(C(C)=O)cc1)CC(=O)N2 ZINC000040400039 556642918 /nfs/dbraw/zinc/64/29/18/556642918.db2.gz ZSAWGASZUKSPRZ-HNNXBMFYSA-N -1 1 447.451 2.789 40 0 IFABMM CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccccc3OC)[n-]c(=O)c21 ZINC000040400029 556643011 /nfs/dbraw/zinc/64/30/11/556643011.db2.gz DDIICPUAQRBGFT-CYBMUJFWSA-N -1 1 449.467 2.985 40 0 IFABMM Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN4C(=O)C4CCC4)[n-]c(=O)c3C2)s1 ZINC000019216982 556712157 /nfs/dbraw/zinc/71/21/57/556712157.db2.gz CTTNJLLOORLPDR-QGZVFWFLSA-N -1 1 426.542 2.802 40 0 IFABMM Cc1ccccc1CC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CC1)CC2 ZINC000019237087 556721823 /nfs/dbraw/zinc/72/18/23/556721823.db2.gz OWPOJIQDJGSOTK-OAQYLSRUSA-N -1 1 434.540 2.669 40 0 IFABMM CCc1nnsc1C(=O)N[C@@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000019521896 556778520 /nfs/dbraw/zinc/77/85/20/556778520.db2.gz UKYQONGHAIEKEA-SFHVURJKSA-N -1 1 432.509 2.960 40 0 IFABMM Cc1n[nH]c(C)c1CC(=O)N[C@@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000019578775 556816197 /nfs/dbraw/zinc/81/61/97/556816197.db2.gz FWZVBMYUZVIGAH-NRFANRHFSA-N -1 1 428.496 2.815 40 0 IFABMM O=C(CSc1nc(NS(=O)(=O)c2ccccc2)cc(=O)[n-]1)Nc1ccc(F)cc1 ZINC000008582925 556842420 /nfs/dbraw/zinc/84/24/20/556842420.db2.gz DYPDDLXSYUSODN-UHFFFAOYSA-N -1 1 434.474 2.853 40 0 IFABMM Cc1c(C(=O)C=C([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)[n+]([O-])c2ccccc2[n+]1[O-] ZINC000102921815 557309883 /nfs/dbraw/zinc/30/98/83/557309883.db2.gz UJLGVJZLHAQVKI-UHFFFAOYSA-N -1 1 434.235 2.502 40 0 IFABMM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)n2)cc1 ZINC000223602586 557490781 /nfs/dbraw/zinc/49/07/81/557490781.db2.gz AQSXSHUYLRANNB-UHFFFAOYSA-N -1 1 446.485 2.581 40 0 IFABMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cc1N1CCCC1=O ZINC000223790620 557513853 /nfs/dbraw/zinc/51/38/53/557513853.db2.gz LFWOKARFDJNZCZ-UHFFFAOYSA-N -1 1 429.498 2.750 40 0 IFABMM CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000013423846 560216580 /nfs/dbraw/zinc/21/65/80/560216580.db2.gz MVXNAJNGLVQNKU-QUZZAMIASA-N -1 1 446.569 2.957 40 0 biogenic,in-vitro IFABMM CN1CCN(c2ccc(C(=O)[N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000257249406 568688080 /nfs/dbraw/zinc/68/80/80/568688080.db2.gz JIEYCMJSDNDCOQ-UHFFFAOYSA-N -1 1 427.448 2.576 40 0 IFABMM O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000575420972 568863030 /nfs/dbraw/zinc/86/30/30/568863030.db2.gz GXQPXEYMQQFQIT-LJQANCHMSA-N -1 1 444.534 2.558 40 0 IFABMM COc1ccccc1O[C@@H](C)C(=O)N1CCC(c2cc(=O)[n-]c(-c3cnccn3)n2)CC1 ZINC000012219677 524687889 /nfs/dbraw/zinc/68/78/89/524687889.db2.gz MUJRPAYDKQNJFB-HNNXBMFYSA-N -1 1 435.484 2.821 40 0 IFABMM O=C(N[C@@H]1C(=O)Nc2nc(N3CCCCC3)[n-]c(=O)c2[C@H]1c1ccccc1)c1ccccc1 ZINC000022607238 526873138 /nfs/dbraw/zinc/87/31/38/526873138.db2.gz SKAIOGCUQMBYET-QUCCMNQESA-N -1 1 443.507 2.643 40 0 IFABMM COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000038828436 556620357 /nfs/dbraw/zinc/62/03/57/556620357.db2.gz AUGWQUXFVSSKIN-XEZPLFJOSA-N -1 1 425.489 2.610 40 0 IFABMM COc1ccc2nc(C[C@H]3CN(S(=O)(=O)c4ccccc4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514288404 556624781 /nfs/dbraw/zinc/62/47/81/556624781.db2.gz CUWYQFVSVARFER-HOTGVXAUSA-N -1 1 443.525 2.916 40 0 biogenic,in-vitro IFABMM COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3C[C@H](C)C[C@H](C)C3)[n-]c(=O)c21 ZINC000040388705 556636550 /nfs/dbraw/zinc/63/65/50/556636550.db2.gz BSYQFDZSVVEYNE-ZNMIVQPWSA-N -1 1 439.516 2.634 40 0 IFABMM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(OC)cc1)CC(=O)N2 ZINC000040390477 556637401 /nfs/dbraw/zinc/63/74/01/556637401.db2.gz QEJGZXVOGCBZPE-ZBFHGGJFSA-N -1 1 425.489 2.612 40 0 IFABMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)cc1 ZINC000040390661 556637485 /nfs/dbraw/zinc/63/74/85/556637485.db2.gz WNHOVOOWMZLAPO-SFHVURJKSA-N -1 1 429.480 2.706 40 0 IFABMM Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[n-]c(=O)c21 ZINC000040390697 556637548 /nfs/dbraw/zinc/63/75/48/556637548.db2.gz LNSSXFPWNHAHNJ-KRWDZBQOSA-N -1 1 429.480 2.706 40 0 IFABMM CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1 ZINC000040399188 556641516 /nfs/dbraw/zinc/64/15/16/556641516.db2.gz HKIVNCHJMJXCOK-INIZCTEOSA-N -1 1 447.451 2.755 40 0 IFABMM CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccccc3OC)[n-]c(=O)c21 ZINC000040400031 556642986 /nfs/dbraw/zinc/64/29/86/556642986.db2.gz DDIICPUAQRBGFT-ZDUSSCGKSA-N -1 1 449.467 2.985 40 0 IFABMM O=C(c1ccccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2 ZINC000019400140 556752807 /nfs/dbraw/zinc/75/28/07/556752807.db2.gz JOXCOYBFMYXUIA-HXUWFJFHSA-N -1 1 435.528 2.607 40 0 IFABMM O=C(CC1CCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccccn3)[n-]c(=O)c2C1 ZINC000019400151 556752867 /nfs/dbraw/zinc/75/28/67/556752867.db2.gz YGTHKJCXUODPDR-OAQYLSRUSA-N -1 1 449.555 2.997 40 0 IFABMM O=C(CC1CCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccncc3)[n-]c(=O)c2C1 ZINC000019404882 556754564 /nfs/dbraw/zinc/75/45/64/556754564.db2.gz OOKFAJOIQBRXLW-NRFANRHFSA-N -1 1 449.555 2.997 40 0 IFABMM C[C@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)CC1CCCC1)CC2 ZINC000019463439 556768057 /nfs/dbraw/zinc/76/80/57/556768057.db2.gz VVKVLSORIMQOKI-XAUMDUMWSA-N -1 1 426.561 2.945 40 0 IFABMM O=C(NCCCN1CCOCC1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020105617 556982214 /nfs/dbraw/zinc/98/22/14/556982214.db2.gz UNGPPFXTISCRMW-UHFFFAOYSA-N -1 1 437.949 2.593 40 0 IFABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c1 ZINC000010112261 557204637 /nfs/dbraw/zinc/20/46/37/557204637.db2.gz ZPOHZIIADMLSQF-UHFFFAOYSA-N -1 1 432.498 2.909 40 0 IFABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2C)c1 ZINC000014154779 557426535 /nfs/dbraw/zinc/42/65/35/557426535.db2.gz FRWMMDZBCJQYSC-UHFFFAOYSA-N -1 1 429.542 2.750 40 0 IFABMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(I)cc1)oc(=O)n2C ZINC000223334848 557459923 /nfs/dbraw/zinc/45/99/23/557459923.db2.gz COMFPUFCJPYSBH-UHFFFAOYSA-N -1 1 444.250 2.845 40 0 IFABMM COc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc(SC)c(NC(C)=O)c3)n2)c1 ZINC000223863953 557522022 /nfs/dbraw/zinc/52/20/22/557522022.db2.gz LQVAYVBXMBCZRS-UHFFFAOYSA-N -1 1 448.526 2.904 40 0 IFABMM CN1CCN(Cc2cccc(C(=O)[N-]S(=O)(=O)c3ccccc3C(F)(F)F)c2)CC1 ZINC000257226696 568677194 /nfs/dbraw/zinc/67/71/94/568677194.db2.gz FLTDEYBAJCFAPT-UHFFFAOYSA-N -1 1 441.475 2.572 40 0 IFABMM COC(=O)c1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)cc1 ZINC000012946463 569217295 /nfs/dbraw/zinc/21/72/95/569217295.db2.gz WJJKXBNBEFDEDD-QMTMVMCOSA-N -1 1 440.349 2.716 40 0 IFABMM COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Cl ZINC000033732387 569246215 /nfs/dbraw/zinc/24/62/15/569246215.db2.gz XCTQKHCUHUAHMB-UHFFFAOYSA-N -1 1 429.816 2.956 40 0 IFABMM COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Cl ZINC000033732387 569246216 /nfs/dbraw/zinc/24/62/16/569246216.db2.gz XCTQKHCUHUAHMB-UHFFFAOYSA-N -1 1 429.816 2.956 40 0 IFABMM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccccc1OC)CC(=O)N2 ZINC000139114665 569254801 /nfs/dbraw/zinc/25/48/01/569254801.db2.gz WLZUNKFCSNMBFW-ZIAGYGMSSA-N -1 1 425.489 2.612 40 0 IFABMM CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C ZINC000005493811 291342592 /nfs/dbraw/zinc/34/25/92/291342592.db2.gz MVXNAJNGLVQNKU-ZDWFVDTJSA-N -1 1 446.569 2.957 40 0 biogenic,in-vitro IFABMM Cn1nc(-c2ccc(F)cc2)cc1[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)CCCC(=O)[O-] ZINC000012602075 291348998 /nfs/dbraw/zinc/34/89/98/291348998.db2.gz QCDOJHIYZIXDQR-UHOSZYNNSA-N -1 1 428.508 2.775 40 0 biogenic,in-vitro IFABMM O=C(N[C@H]1C(=O)Nc2nc(N3CCCCC3)[n-]c(=O)c2[C@@H]1c1ccccc1)c1ccccc1 ZINC000022607244 527012107 /nfs/dbraw/zinc/01/21/07/527012107.db2.gz SKAIOGCUQMBYET-AZUAARDMSA-N -1 1 443.507 2.643 40 0 IFABMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c1 ZINC000408693273 556093435 /nfs/dbraw/zinc/09/34/35/556093435.db2.gz MFMLDFUAOKTMJR-UHFFFAOYSA-N -1 1 432.498 2.827 40 0 IFABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCOCC1 ZINC000408693292 556093872 /nfs/dbraw/zinc/09/38/72/556093872.db2.gz MUXRFDAWBRMAHB-UHFFFAOYSA-N -1 1 444.431 2.987 40 0 IFABMM CCOC(=O)N1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)CC1 ZINC000010113001 556326199 /nfs/dbraw/zinc/32/61/99/556326199.db2.gz YJRIVGOMFLOEBY-UHFFFAOYSA-N -1 1 431.514 2.710 40 0 IFABMM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1 ZINC000028196271 556445205 /nfs/dbraw/zinc/44/52/05/556445205.db2.gz HTCTZSAQQSVMPD-UHFFFAOYSA-N -1 1 440.543 2.613 40 0 IFABMM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(C(C)=O)cc1)CC(=O)N2 ZINC000040390459 556637244 /nfs/dbraw/zinc/63/72/44/556637244.db2.gz GRBSWAYYMRBNTN-IRXDYDNUSA-N -1 1 437.500 2.806 40 0 IFABMM CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[n-]c(=O)c21 ZINC000040390703 556637694 /nfs/dbraw/zinc/63/76/94/556637694.db2.gz NWPWFTCROJBMGK-GOSISDBHSA-N -1 1 443.507 2.960 40 0 IFABMM CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1 ZINC000040399184 556641484 /nfs/dbraw/zinc/64/14/84/556641484.db2.gz HGQLEYXICMPQSG-INIZCTEOSA-N -1 1 432.440 2.536 40 0 IFABMM CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(OC)cc4)[n-]c(=O)c32)cc1 ZINC000040399833 556642697 /nfs/dbraw/zinc/64/26/97/556642697.db2.gz LGRIUEHLJONCNO-QGZVFWFLSA-N -1 1 449.467 2.985 40 0 IFABMM Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(C(=O)C2CCCC2)CC3)cn1 ZINC000019214893 556711588 /nfs/dbraw/zinc/71/15/88/556711588.db2.gz VNGMJZZYCFGFCQ-OAQYLSRUSA-N -1 1 449.555 2.916 40 0 IFABMM O=C(c1cccnc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2 ZINC000019337621 556738819 /nfs/dbraw/zinc/73/88/19/556738819.db2.gz IFGKJWIXSSVKKN-HXUWFJFHSA-N -1 1 435.528 2.607 40 0 IFABMM COc1cccc2c1OC[C@H](C(=O)N[C@H](c1cc(=O)[n-]c(-c3ccccn3)n1)C(C)C)C2 ZINC000019445563 556755909 /nfs/dbraw/zinc/75/59/09/556755909.db2.gz OLYYDILLHPHVSE-IERDGZPVSA-N -1 1 434.496 2.905 40 0 IFABMM C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)CC1CCCC1)CC2 ZINC000019463433 556768153 /nfs/dbraw/zinc/76/81/53/556768153.db2.gz VVKVLSORIMQOKI-OXFYSEKESA-N -1 1 426.561 2.945 40 0 IFABMM CCc1nnsc1C(=O)N[C@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000019521897 556778557 /nfs/dbraw/zinc/77/85/57/556778557.db2.gz UKYQONGHAIEKEA-GOSISDBHSA-N -1 1 432.509 2.960 40 0 IFABMM COc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc(I)c1OC ZINC000409190363 556991521 /nfs/dbraw/zinc/99/15/21/556991521.db2.gz XPEMCZIJWMJYPP-WDZFZDKYSA-N -1 1 447.254 2.953 40 0 IFABMM COc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc(I)c1OC ZINC000409190363 556991524 /nfs/dbraw/zinc/99/15/24/556991524.db2.gz XPEMCZIJWMJYPP-WDZFZDKYSA-N -1 1 447.254 2.953 40 0 IFABMM O=C(C1CC1)N1CCc2nc3cc([C@H]4CCCCN4Cc4cccnc4)[n-]n3c(=O)c2C1 ZINC000100233900 557251595 /nfs/dbraw/zinc/25/15/95/557251595.db2.gz XJHQWDCNIDURPJ-OAQYLSRUSA-N -1 1 432.528 2.852 40 0 IFABMM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(SC)c(NC(C)=O)c3)n2)cc1 ZINC000223077946 557427201 /nfs/dbraw/zinc/42/72/01/557427201.db2.gz RYLKRMICDTYZCS-UHFFFAOYSA-N -1 1 448.526 2.904 40 0 IFABMM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC(C)C)ccc2N2CCN(C)CC2)cc1 ZINC000223427754 557471356 /nfs/dbraw/zinc/47/13/56/557471356.db2.gz ASNAZHIVFMVECY-UHFFFAOYSA-N -1 1 447.557 2.813 40 0 IFABMM CC(C)(C)c1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000223612446 557491827 /nfs/dbraw/zinc/49/18/27/557491827.db2.gz LWYLONIZHFETBN-UHFFFAOYSA-N -1 1 449.554 2.916 40 0 IFABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1[N-]S(C)(=O)=O ZINC000225471743 557726887 /nfs/dbraw/zinc/72/68/87/557726887.db2.gz MSQUSSNTQDARPE-OALUTQOASA-N -1 1 443.554 2.967 40 0 IFABMM O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(N4CCCC4=O)cc3)ccc21 ZINC000225846788 557784667 /nfs/dbraw/zinc/78/46/67/557784667.db2.gz LYJKPFHEXIMVBR-UHFFFAOYSA-N -1 1 425.510 2.913 40 0 IFABMM O=C([O-])c1cc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1O ZINC000109119287 569253576 /nfs/dbraw/zinc/25/35/76/569253576.db2.gz HYEHEZLHXORKSO-XFFZJAGNSA-N -1 1 435.820 2.627 40 0 IFABMM N[C@]1(C(=O)[O-])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218242256 569456881 /nfs/dbraw/zinc/45/68/81/569456881.db2.gz HWWKMWIHOCUIIC-OFQRWUPVSA-N -1 1 430.707 2.824 40 0 IFABMM CC(C)CN1C(=O)CO[C@H](c2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)[C@H]1CO ZINC000072321158 291341577 /nfs/dbraw/zinc/34/15/77/291341577.db2.gz SZNPDOINZFWMFY-TZIWHRDSSA-N -1 1 436.505 2.543 40 0 biogenic,in-vitro IFABMM Cc1nc(-c2cccs2)cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)CSCC(=O)[O-])n1 ZINC000008623075 291348507 /nfs/dbraw/zinc/34/85/07/291348507.db2.gz SMJUHXOHQAPKSR-XHSDSOJGSA-N -1 1 446.598 2.625 40 0 biogenic,in-vitro IFABMM Cc1nc(-c2cccs2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)CSCC(=O)[O-])n1 ZINC000008623075 291348510 /nfs/dbraw/zinc/34/85/10/291348510.db2.gz SMJUHXOHQAPKSR-XHSDSOJGSA-N -1 1 446.598 2.625 40 0 biogenic,in-vitro IFABMM O=C(NCCCN1CCOCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000022508906 527672347 /nfs/dbraw/zinc/67/23/47/527672347.db2.gz PQFNYXGEPWFMGO-UHFFFAOYSA-N -1 1 437.949 2.593 40 0 IFABMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc1 ZINC000408693037 556092791 /nfs/dbraw/zinc/09/27/91/556092791.db2.gz CFSXSNKDPAYCAV-UHFFFAOYSA-N -1 1 432.498 2.909 40 0 IFABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1 ZINC000408693148 556093519 /nfs/dbraw/zinc/09/35/19/556093519.db2.gz JMFQRAGEODDNCN-UHFFFAOYSA-N -1 1 432.498 2.909 40 0 IFABMM CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000040389045 556636691 /nfs/dbraw/zinc/63/66/91/556636691.db2.gz NANBQBIUWYNYBP-BBRMVZONSA-N -1 1 425.489 2.612 40 0 IFABMM COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@@H]3C)[n-]c(=O)c21 ZINC000040390395 556636899 /nfs/dbraw/zinc/63/68/99/556636899.db2.gz GHGHXLOTDDQLCQ-KBPBESRZSA-N -1 1 425.489 2.530 40 0 IFABMM Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)cc1 ZINC000040390659 556637513 /nfs/dbraw/zinc/63/75/13/556637513.db2.gz WNHOVOOWMZLAPO-GOSISDBHSA-N -1 1 429.480 2.706 40 0 IFABMM O=C(NCCc1ccccc1)[C@@H]1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000040399377 556642023 /nfs/dbraw/zinc/64/20/23/556642023.db2.gz WTGZRFDBCLHIFS-MRXNPFEDSA-N -1 1 437.887 2.952 40 0 IFABMM COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2cc(OC)ccc2C)CC(=O)N3)cc1 ZINC000040399953 556642652 /nfs/dbraw/zinc/64/26/52/556642652.db2.gz WDQVQUUIVASTTF-MRXNPFEDSA-N -1 1 449.467 2.904 40 0 IFABMM COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc(C(C)=O)cc2)CC(=O)N3)cc1 ZINC000040399847 556642663 /nfs/dbraw/zinc/64/26/63/556642663.db2.gz APAWQQYTAACHEL-KRWDZBQOSA-N -1 1 447.451 2.789 40 0 IFABMM O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCCN3C(=O)[C@H]3CCCO3)[n-]c(=O)c2C1 ZINC000019014767 556692278 /nfs/dbraw/zinc/69/22/78/556692278.db2.gz OQCFKGFYXVRMBZ-WOJBJXKFSA-N -1 1 442.560 2.880 40 0 IFABMM O=C(CC1CCCCC1)N1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3CCCO3)[n-]c(=O)c2C1 ZINC000019014765 556692287 /nfs/dbraw/zinc/69/22/87/556692287.db2.gz OQCFKGFYXVRMBZ-VQTJNVASSA-N -1 1 442.560 2.880 40 0 IFABMM Cc1ccccc1CC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CC1)CC2 ZINC000019237088 556721928 /nfs/dbraw/zinc/72/19/28/556721928.db2.gz OWPOJIQDJGSOTK-NRFANRHFSA-N -1 1 434.540 2.669 40 0 IFABMM Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)C3CCCCC3)[n-]c(=O)c2C1 ZINC000019239455 556724753 /nfs/dbraw/zinc/72/47/53/556724753.db2.gz XWLIUARWVUFZOV-OAQYLSRUSA-N -1 1 449.555 2.916 40 0 IFABMM O=C(c1cccs1)N1CCc2nc([C@H]3CCCN3C(=O)C3CCCC3)[n-]c(=O)c2C1 ZINC000019342795 556740775 /nfs/dbraw/zinc/74/07/75/556740775.db2.gz IOGVXTJQSTTYJV-QGZVFWFLSA-N -1 1 426.542 2.884 40 0 IFABMM COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3C[C@H](C)C[C@@H](C)C3)[n-]c(=O)c21 ZINC000223051754 557421771 /nfs/dbraw/zinc/42/17/71/557421771.db2.gz BSYQFDZSVVEYNE-RBSFLKMASA-N -1 1 439.516 2.634 40 0 IFABMM O=C1N[C@@H](c2ccc3c(c2)OCO3)C(=C([O-])c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1 ZINC000027664417 557576651 /nfs/dbraw/zinc/57/66/51/557576651.db2.gz DDDPLLOHRYKKSO-VKJFTORMSA-N -1 1 426.322 2.658 40 0 IFABMM COCc1cccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)c1 ZINC000224324317 557591647 /nfs/dbraw/zinc/59/16/47/557591647.db2.gz XQVKLQOMVWRBLE-UHFFFAOYSA-N -1 1 436.555 2.828 40 0 IFABMM Cc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)n2)c1 ZINC000225551416 557741101 /nfs/dbraw/zinc/74/11/01/557741101.db2.gz OFIHIJCIHSVAQA-UHFFFAOYSA-N -1 1 438.509 2.823 40 0 IFABMM CCOC(=O)c1sc(NC(=O)CSc2nc(C)cc(=O)[n-]2)c(C(=O)OCC)c1C ZINC000032522504 557806289 /nfs/dbraw/zinc/80/62/89/557806289.db2.gz QYIZRTZZFAKQGY-UHFFFAOYSA-N -1 1 439.515 2.532 40 0 IFABMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(CC(=O)N4CCCC4)cc3)cc2oc1=O ZINC000223033036 568626679 /nfs/dbraw/zinc/62/66/79/568626679.db2.gz PAKCNNRMDSJKOK-UHFFFAOYSA-N -1 1 429.498 2.580 40 0 IFABMM O=C(CNC(=O)c1cncc([O-])c1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257315786 568718078 /nfs/dbraw/zinc/71/80/78/568718078.db2.gz VCTGNQFMLXHONQ-HXUWFJFHSA-N -1 1 438.459 2.989 40 0 IFABMM O=C(CNC(=O)c1cncc([O-])c1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257342707 568729604 /nfs/dbraw/zinc/72/96/04/568729604.db2.gz ZPUNPXPHBWPJGS-HXUWFJFHSA-N -1 1 438.459 2.989 40 0 IFABMM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(C(C)=O)cc1)CC(=O)N2 ZINC000139108560 569254796 /nfs/dbraw/zinc/25/47/96/569254796.db2.gz GRBSWAYYMRBNTN-DLBZAZTESA-N -1 1 437.500 2.806 40 0 IFABMM COc1cc2c(cc1OC)[C@@]1(O)C(=O)c3c(O)cc([O-])c(CC=C(C)C)c3O[C@@H]1CO2 ZINC000049181362 291345756 /nfs/dbraw/zinc/34/57/56/291345756.db2.gz LAUJMTGOOIBBOB-XXBNENTESA-N -1 1 428.437 2.848 40 0 biogenic,in-vitro IFABMM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 ZINC000408587952 555938548 /nfs/dbraw/zinc/93/85/48/555938548.db2.gz VCPOTFVMTOYUAY-UHFFFAOYSA-N -1 1 436.442 2.629 40 0 IFABMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cc1 ZINC000408593675 555959972 /nfs/dbraw/zinc/95/99/72/555959972.db2.gz NCLKUOGNXOEYES-HNNXBMFYSA-N -1 1 434.514 2.814 40 0 IFABMM COCCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Br)c2)ccc1C ZINC000408612793 555978013 /nfs/dbraw/zinc/97/80/13/555978013.db2.gz YWDPAZXLNGINLQ-UHFFFAOYSA-N -1 1 427.320 2.935 40 0 IFABMM CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000408712909 556124526 /nfs/dbraw/zinc/12/45/26/556124526.db2.gz AVHZVQRQQCOZTH-UHFFFAOYSA-N -1 1 426.907 2.902 40 0 IFABMM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cc(C)ccc1OC)CC(=O)N2 ZINC000040390623 556637412 /nfs/dbraw/zinc/63/74/12/556637412.db2.gz YSHGITFKPHSHGR-CABCVRRESA-N -1 1 439.516 2.920 40 0 IFABMM Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN4C(=O)c4ccccn4)[n-]c(=O)c3C2)s1 ZINC000019217020 556712538 /nfs/dbraw/zinc/71/25/38/556712538.db2.gz NESGWSKUKCQGBG-GOSISDBHSA-N -1 1 449.536 2.711 40 0 IFABMM Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)[C@H]3CC=CCC3)[n-]c(=O)c2C1 ZINC000019239449 556724739 /nfs/dbraw/zinc/72/47/39/556724739.db2.gz YBLZJYVMYQWYCS-LAUBAEHRSA-N -1 1 447.539 2.692 40 0 IFABMM Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)C3CCCC3)[n-]c(=O)c2C1 ZINC000019239452 556724773 /nfs/dbraw/zinc/72/47/73/556724773.db2.gz LXRWXEYCQVRQBM-FQEVSTJZSA-N -1 1 435.528 2.526 40 0 IFABMM Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)CC3CCCC3)[n-]c(=O)c2C1 ZINC000019239469 556724794 /nfs/dbraw/zinc/72/47/94/556724794.db2.gz BPNKGCHADBWTAJ-NRFANRHFSA-N -1 1 449.555 2.916 40 0 IFABMM Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)c3cccs3)[n-]c(=O)c2C1 ZINC000019239477 556724997 /nfs/dbraw/zinc/72/49/97/556724997.db2.gz CURRWMOXUGIHIO-SFHVURJKSA-N -1 1 449.536 2.711 40 0 IFABMM O=C(CC1CCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)c3cccnc3)[n-]c(=O)c2C1 ZINC000019337640 556739099 /nfs/dbraw/zinc/73/90/99/556739099.db2.gz JXEUFPGFDDECSO-OAQYLSRUSA-N -1 1 449.555 2.997 40 0 IFABMM O=C(c1ccccn1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2 ZINC000019400137 556752892 /nfs/dbraw/zinc/75/28/92/556752892.db2.gz JOXCOYBFMYXUIA-FQEVSTJZSA-N -1 1 435.528 2.607 40 0 IFABMM O=C(c1ccncc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2 ZINC000019404872 556754579 /nfs/dbraw/zinc/75/45/79/556754579.db2.gz JPIOMHIEZYXPAR-HXUWFJFHSA-N -1 1 435.528 2.607 40 0 IFABMM CCC(CC)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccncc1C)CC2 ZINC000019500180 556772105 /nfs/dbraw/zinc/77/21/05/556772105.db2.gz WKZIXGROYAZTEU-HXUWFJFHSA-N -1 1 437.544 2.772 40 0 IFABMM O=C(CN1C(=O)N/C(=C/c2ccc([O-])c(Br)c2)C1=O)Nc1ccccc1F ZINC000409207939 556996971 /nfs/dbraw/zinc/99/69/71/556996971.db2.gz CXXIKIJERAGUSA-RIYZIHGNSA-N -1 1 434.221 2.825 40 0 IFABMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)c1 ZINC000010112236 557204711 /nfs/dbraw/zinc/20/47/11/557204711.db2.gz XXNDUELWIPHRHV-UHFFFAOYSA-N -1 1 432.498 2.909 40 0 IFABMM CCOC(=O)c1cc2oc([C@H](c3nnnn3C3CCCCC3)N3CCOCC3)cc2[n-]1 ZINC000026440459 557241235 /nfs/dbraw/zinc/24/12/35/557241235.db2.gz VUKNJWUZHOXJBW-LJQANCHMSA-N -1 1 428.493 2.851 40 0 IFABMM Cc1ccccc1-c1noc(C[N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)n1 ZINC000222886935 557398509 /nfs/dbraw/zinc/39/85/09/557398509.db2.gz YEDNVFZAFXJKLT-UHFFFAOYSA-N -1 1 438.509 2.823 40 0 IFABMM COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3C[C@H](C)C[C@@H](C)C3)[n-]c(=O)c21 ZINC000223051827 557421822 /nfs/dbraw/zinc/42/18/22/557421822.db2.gz BSYQFDZSVVEYNE-KFWWJZLASA-N -1 1 439.516 2.634 40 0 IFABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1 ZINC000223307969 557457449 /nfs/dbraw/zinc/45/74/49/557457449.db2.gz GOQWFYOZVCYVNE-UHFFFAOYSA-N -1 1 434.514 2.911 40 0 IFABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)cc1C(=O)N1CCCCC1 ZINC000223783174 557512681 /nfs/dbraw/zinc/51/26/81/557512681.db2.gz NUGKLQYKQLRHJA-UHFFFAOYSA-N -1 1 445.541 2.824 40 0 IFABMM CC(C)n1c2ccc([N-]S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2sc1=O ZINC000225177399 557696755 /nfs/dbraw/zinc/69/67/55/557696755.db2.gz LDWQBOCWNWZNCC-UHFFFAOYSA-N -1 1 426.541 2.848 40 0 IFABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(N(C)S(C)(=O)=O)c2)cc1NC(C)=O ZINC000225798318 557778813 /nfs/dbraw/zinc/77/88/13/557778813.db2.gz BFOUZPCKYQWHOO-UHFFFAOYSA-N -1 1 443.572 2.564 40 0 IFABMM O=C(CNC(=O)c1cncc([O-])c1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257275094 568699846 /nfs/dbraw/zinc/69/98/46/568699846.db2.gz NNWMNCAKJFFQLI-INIZCTEOSA-N -1 1 438.459 2.641 40 0 IFABMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000575420684 568863503 /nfs/dbraw/zinc/86/35/03/568863503.db2.gz DKZPERMZVNSXEG-GOSISDBHSA-N -1 1 436.555 2.528 40 0 IFABMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2)cc1 ZINC000575424885 568864891 /nfs/dbraw/zinc/86/48/91/568864891.db2.gz VRNBUFGIBKBJCG-SFHVURJKSA-N -1 1 436.555 2.528 40 0 IFABMM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cc(C)ccc1OC)CC(=O)N2 ZINC000139119364 569254785 /nfs/dbraw/zinc/25/47/85/569254785.db2.gz YSHGITFKPHSHGR-LSDHHAIUSA-N -1 1 439.516 2.920 40 0 IFABMM COc1ccc(OC)c([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)c1 ZINC000009409659 569295966 /nfs/dbraw/zinc/29/59/66/569295966.db2.gz NLBUSGYDKDNNBP-MDZRGWNJSA-N -1 1 442.365 2.947 40 0 IFABMM N[C@]1(C(=O)[O-])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218242127 569456840 /nfs/dbraw/zinc/45/68/40/569456840.db2.gz HWWKMWIHOCUIIC-IJEWVQPXSA-N -1 1 430.707 2.824 40 0 IFABMM COc1cc2c(cc1OC)[C@]1(O)C(=O)c3c(O)cc([O-])c(CC=C(C)C)c3O[C@H]1CO2 ZINC000049181359 291346094 /nfs/dbraw/zinc/34/60/94/291346094.db2.gz LAUJMTGOOIBBOB-WMZHIEFXSA-N -1 1 428.437 2.848 40 0 biogenic,in-vitro IFABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2C)cc1C ZINC000408542848 555790688 /nfs/dbraw/zinc/79/06/88/555790688.db2.gz AWXPTIMUCWRKOM-UHFFFAOYSA-N -1 1 429.542 2.750 40 0 IFABMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)c1 ZINC000408597949 555956148 /nfs/dbraw/zinc/95/61/48/555956148.db2.gz WYENETWWAGYSQC-OAHLLOKOSA-N -1 1 433.530 2.985 40 0 IFABMM C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1)C(=O)NC1CCCCC1 ZINC000408593905 555960181 /nfs/dbraw/zinc/96/01/81/555960181.db2.gz QNWNLQRCCBQXAM-OAHLLOKOSA-N -1 1 445.541 2.803 40 0 IFABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)cc(C(=O)OC)c1 ZINC000408594846 555961142 /nfs/dbraw/zinc/96/11/42/555961142.db2.gz PKKGBJZUTCOKCE-UHFFFAOYSA-N -1 1 448.497 2.507 40 0 IFABMM COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3C[C@H](C)C[C@H](C)C3)[n-]c(=O)c21 ZINC000040388703 556636759 /nfs/dbraw/zinc/63/67/59/556636759.db2.gz BSYQFDZSVVEYNE-QLFBSQMISA-N -1 1 439.516 2.634 40 0 IFABMM COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@@H]3C)[n-]c(=O)c21 ZINC000040390393 556636873 /nfs/dbraw/zinc/63/68/73/556636873.db2.gz GHGHXLOTDDQLCQ-UONOGXRCSA-N -1 1 425.489 2.530 40 0 IFABMM CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)cc1 ZINC000040390665 556637616 /nfs/dbraw/zinc/63/76/16/556637616.db2.gz KZORVGXKHXXASI-IBGZPJMESA-N -1 1 443.507 2.960 40 0 IFABMM Cc1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(C(=O)C2CCCC2)CC3)on1 ZINC000019119896 556700835 /nfs/dbraw/zinc/70/08/35/556700835.db2.gz LIYVFMTVLGNVJU-GOSISDBHSA-N -1 1 439.516 2.921 40 0 IFABMM O=C(c1cccnc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2 ZINC000019337617 556738780 /nfs/dbraw/zinc/73/87/80/556738780.db2.gz IFGKJWIXSSVKKN-FQEVSTJZSA-N -1 1 435.528 2.607 40 0 IFABMM O=C(c1cccnc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCCC1)CC2 ZINC000019337625 556738788 /nfs/dbraw/zinc/73/87/88/556738788.db2.gz GJZRAUWHOKQIOW-NRFANRHFSA-N -1 1 449.555 2.997 40 0 IFABMM O=C(CC1CCCCC1)N1CCc2nc([C@@H]3CCCN3C(=O)c3cccnc3)[n-]c(=O)c2C1 ZINC000019337529 556738848 /nfs/dbraw/zinc/73/88/48/556738848.db2.gz KAVKSDDAJXJMAH-NRFANRHFSA-N -1 1 449.555 2.997 40 0 IFABMM O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCCN3C(=O)c3ccccn3)[n-]c(=O)c2C1 ZINC000019400047 556752551 /nfs/dbraw/zinc/75/25/51/556752551.db2.gz OGDZPYCOOXQPPH-OAQYLSRUSA-N -1 1 449.555 2.997 40 0 IFABMM O=C(CC1CCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccccn3)[n-]c(=O)c2C1 ZINC000019400148 556752789 /nfs/dbraw/zinc/75/27/89/556752789.db2.gz YGTHKJCXUODPDR-NRFANRHFSA-N -1 1 449.555 2.997 40 0 IFABMM CCC(CC)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccncc1C)CC2 ZINC000019500181 556772193 /nfs/dbraw/zinc/77/21/93/556772193.db2.gz WKZIXGROYAZTEU-FQEVSTJZSA-N -1 1 437.544 2.772 40 0 IFABMM O=c1[n-]c(-c2ccccn2)nc2c1CCN(Cc1cc3c(cc1Br)OCO3)C2 ZINC000072336795 556909478 /nfs/dbraw/zinc/90/94/78/556909478.db2.gz PBYJZYIYPLADKT-UHFFFAOYSA-N -1 1 441.285 2.881 40 0 IFABMM O=C(C1CCC1)N1CCC[C@H](c2cc3nc4c(c(=O)n3[n-]2)CN(Cc2ccncc2)CC4)C1 ZINC000100233676 557250526 /nfs/dbraw/zinc/25/05/26/557250526.db2.gz NYXKCPZSJKZSBH-IBGZPJMESA-N -1 1 446.555 2.894 40 0 IFABMM COc1ccc(OC)c([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)c1 ZINC000013606993 557376042 /nfs/dbraw/zinc/37/60/42/557376042.db2.gz NLBUSGYDKDNNBP-FRQCXROJSA-N -1 1 442.365 2.947 40 0 IFABMM COC(=O)c1ccc(NCCCN2CCOCC2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223413587 557468901 /nfs/dbraw/zinc/46/89/01/557468901.db2.gz MVKAFZVDJCHDTK-UHFFFAOYSA-N -1 1 447.557 2.717 40 0 IFABMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cc1C(=O)NC(C)C ZINC000223787026 557513103 /nfs/dbraw/zinc/51/31/03/557513103.db2.gz NDDZMPJYSICNME-UHFFFAOYSA-N -1 1 431.514 2.761 40 0 IFABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)cc(C(=O)OC)c1 ZINC000223833607 557518632 /nfs/dbraw/zinc/51/86/32/557518632.db2.gz MVZNTRLCVMWLED-UHFFFAOYSA-N -1 1 441.845 2.501 40 0 IFABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)c(C)c1 ZINC000224157457 557568047 /nfs/dbraw/zinc/56/80/47/557568047.db2.gz WQTQEMQFKLUTQP-UHFFFAOYSA-N -1 1 446.481 2.635 40 0 IFABMM CCc1nnc([N-]c2cccc([C@@H]3CN(C(=O)CN4CCCCCC4=O)CCO3)n2)s1 ZINC000257220486 568674764 /nfs/dbraw/zinc/67/47/64/568674764.db2.gz DLAUDXHTZYNVFN-INIZCTEOSA-N -1 1 444.561 2.542 40 0 IFABMM O=C(CNC(=O)c1cncc([O-])c1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257262522 568694491 /nfs/dbraw/zinc/69/44/91/568694491.db2.gz LLTBDQQIHFUBSK-INIZCTEOSA-N -1 1 438.459 2.641 40 0 IFABMM O=C(CNC(=O)c1cncc([O-])c1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257275095 568699976 /nfs/dbraw/zinc/69/99/76/568699976.db2.gz NNWMNCAKJFFQLI-MRXNPFEDSA-N -1 1 438.459 2.641 40 0 IFABMM CCc1nnc([N-]c2cccc([C@H]3CCCN(C(=O)CCN4CCOCC4)C3)n2)s1 ZINC000257342902 568729895 /nfs/dbraw/zinc/72/98/95/568729895.db2.gz ZQOBWSMPQFUMCL-INIZCTEOSA-N -1 1 430.578 2.667 40 0 IFABMM CCc1nnc([N-]c2cccc([C@@H]3CCCN(C(=O)CCN4CCOCC4)C3)n2)s1 ZINC000257342903 568729935 /nfs/dbraw/zinc/72/99/35/568729935.db2.gz ZQOBWSMPQFUMCL-MRXNPFEDSA-N -1 1 430.578 2.667 40 0 IFABMM Cc1cc(=O)[n-]c(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)n1 ZINC000009143546 569220106 /nfs/dbraw/zinc/22/01/06/569220106.db2.gz LIMSSZZCGMHCAH-UHFFFAOYSA-N -1 1 428.436 2.665 40 0 IFABMM