smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000002217171 551795245 /nfs/dbraw/zinc/79/52/45/551795245.db2.gz GXTLEHNDPSWLTK-LPYMAVHISA-N 1 2 507.388 4.589 40 10 KJCBLO COc1cccc(C2N(Cc3ccc(OC)c(OC)c3)CCC[N@H+]2Cc2ccc(OC)c(OC)c2)c1O ZINC000019325989 553613444 /nfs/dbraw/zinc/61/34/44/553613444.db2.gz UCPWCZAVOHQBNL-UHFFFAOYSA-N 1 2 508.615 4.842 40 10 KJCBLO COc1cccc(C2N(Cc3ccc(OC)c(OC)c3)CCC[N@@H+]2Cc2ccc(OC)c(OC)c2)c1O ZINC000019325989 553613443 /nfs/dbraw/zinc/61/34/43/553613443.db2.gz UCPWCZAVOHQBNL-UHFFFAOYSA-N 1 2 508.615 4.842 40 10 KJCBLO COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCCSCc2[nH]c[nH+]c2C)cc1 ZINC000020288903 553633971 /nfs/dbraw/zinc/63/39/71/553633971.db2.gz DCNIZCWRFPRHBJ-QJOMJCCJSA-N 1 2 518.668 4.884 40 10 KJCBLO Oc1cc2c(cc1[C@H](c1ccc3c(c1)OCO3)N1CC[NH+]([C@@H](c3ccc4c(c3)OCO4)c3cc4c(cc3O)OCO4)CC1)OCO2 ZINC000022859548 553762239 /nfs/dbraw/zinc/76/22/39/553762239.db2.gz VDOTYYGPDCAYHS-HEVIKAOCSA-N 1 2 626.618 4.509 40 10 KJCBLO Oc1cc2c(cc1[C@@H](c1ccc3c(c1)OCO3)N1CC[NH+]([C@@H](c3ccc4c(c3)OCO4)c3cc4c(cc3O)OCO4)CC1)OCO2 ZINC000022859550 553762252 /nfs/dbraw/zinc/76/22/52/553762252.db2.gz VDOTYYGPDCAYHS-AQOUDTPCSA-N 1 2 626.618 4.509 40 10 KJCBLO Oc1cc2c(cc1[C@@H](c1ccc3c(c1)OCO3)[NH+]1CCN([C@@H](c3ccc4c(c3)OCO4)c3cc4c(cc3O)OCO4)CC1)OCO2 ZINC000022859550 553762250 /nfs/dbraw/zinc/76/22/50/553762250.db2.gz VDOTYYGPDCAYHS-AQOUDTPCSA-N 1 2 626.618 4.509 40 10 KJCBLO Oc1cc2c(cc1[C@@H](c1ccc3c(c1)OCO3)N1CC[NH+]([C@H](c3ccc4c(c3)OCO4)c3cc4c(cc3O)OCO4)CC1)OCO2 ZINC000022859552 553762231 /nfs/dbraw/zinc/76/22/31/553762231.db2.gz VDOTYYGPDCAYHS-KKLWWLSJSA-N 1 2 626.618 4.509 40 10 KJCBLO O=[N+]([O-])c1cc([C@@H](Nc2cccc[nH+]2)n2nnc3ccccc32)ccc1N1CCN(c2ccccc2)CC1 ZINC000059488692 554398214 /nfs/dbraw/zinc/39/82/14/554398214.db2.gz ZXSINBWHPAPOGF-NDEPHWFRSA-N 1 2 506.570 4.720 40 10 KJCBLO O=[N+]([O-])c1cc([C@H](Nc2cccc[nH+]2)n2nnc3ccccc32)ccc1N1CCN(c2ccccc2)CC1 ZINC000059488693 554398236 /nfs/dbraw/zinc/39/82/36/554398236.db2.gz ZXSINBWHPAPOGF-MUUNZHRXSA-N 1 2 506.570 4.720 40 10 KJCBLO O=[N+]([O-])c1cc([C@H]2OCCCN2Cc2ccccc2)ccc1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000059489932 554398651 /nfs/dbraw/zinc/39/86/51/554398651.db2.gz DDFIRKSIUYALPI-GDLZYMKVSA-N 1 2 516.598 4.567 40 10 KJCBLO O=[N+]([O-])c1cc([C@@H]2OCCCN2Cc2ccccc2)ccc1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000059489933 554398693 /nfs/dbraw/zinc/39/86/93/554398693.db2.gz DDFIRKSIUYALPI-LJAQVGFWSA-N 1 2 516.598 4.567 40 10 KJCBLO COc1ccc([C@H]2C[N@@H+](C)[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)cc1OC ZINC000098007435 554064206 /nfs/dbraw/zinc/06/42/06/554064206.db2.gz QVJRDTBWOVHLRN-VHEIIQRDSA-N 1 2 570.092 4.626 40 10 KJCBLO COc1ccc([C@H]2C[N@H+](C)[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)cc1OC ZINC000098007435 554064202 /nfs/dbraw/zinc/06/42/02/554064202.db2.gz QVJRDTBWOVHLRN-VHEIIQRDSA-N 1 2 570.092 4.626 40 10 KJCBLO C[N@H+]1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000098007438 554064224 /nfs/dbraw/zinc/06/42/24/554064224.db2.gz WLVOUDPLSOEFFG-LQGLAIQGSA-N 1 2 599.488 4.626 40 10 KJCBLO C[N@@H+]1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000098007438 554064220 /nfs/dbraw/zinc/06/42/20/554064220.db2.gz WLVOUDPLSOEFFG-LQGLAIQGSA-N 1 2 599.488 4.626 40 10 KJCBLO C[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000098007833 554064548 /nfs/dbraw/zinc/06/45/48/554064548.db2.gz DTAIXEYKHUWKQM-LQGLAIQGSA-N 1 2 528.030 4.748 40 10 KJCBLO C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000098007833 554064547 /nfs/dbraw/zinc/06/45/47/554064547.db2.gz DTAIXEYKHUWKQM-LQGLAIQGSA-N 1 2 528.030 4.748 40 10 KJCBLO CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN3CC[NH+](C)CC3)c21 ZINC000100215921 554250302 /nfs/dbraw/zinc/25/03/02/554250302.db2.gz SEEDMUGABJDEII-UHFFFAOYSA-N 1 2 532.504 4.863 40 10 KJCBLO COC(=O)c1ccc(/C=C2/SC(=S)N(CCC(=O)NCC[NH+]3CCN(C(=O)CCCCCN4C(=O)/C(=C/c5ccc(C(=O)OC)cc5)SC4=S)CC3)C2=O)cc1 ZINC000150419581 571486964 /nfs/dbraw/zinc/48/69/64/571486964.db2.gz HXRPQMKRMRUQLC-LQAAPGBJSA-N 1 2 838.068 4.573 40 10 KJCBLO O=C(CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)NCC[NH+]1CCN(C(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)CC1 ZINC000150447618 571501517 /nfs/dbraw/zinc/50/15/17/571501517.db2.gz COQSPVSFMREIQM-UNOZQHNUSA-N 1 2 731.991 4.942 40 10 KJCBLO O=C(CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)NCC[NH+]1CCN(C(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)CC1 ZINC000150447625 571501511 /nfs/dbraw/zinc/50/15/11/571501511.db2.gz DLBADBDUKXMBJE-IIPLHSFTSA-N 1 2 717.964 4.552 40 10 KJCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223127257 571434211 /nfs/dbraw/zinc/43/42/11/571434211.db2.gz URUWIBJSQYLKQQ-JWQCQUIFSA-N 1 2 529.632 4.813 40 10 KJCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223127317 571434185 /nfs/dbraw/zinc/43/41/85/571434185.db2.gz URUWIBJSQYLKQQ-RPBOFIJWSA-N 1 2 529.632 4.813 40 10 KJCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223127379 571434378 /nfs/dbraw/zinc/43/43/78/571434378.db2.gz URUWIBJSQYLKQQ-LOSJGSFVSA-N 1 2 529.632 4.813 40 10 KJCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000223127433 571434343 /nfs/dbraw/zinc/43/43/43/571434343.db2.gz URUWIBJSQYLKQQ-DQEYMECFSA-N 1 2 529.632 4.813 40 10 KJCBLO CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)cc21 ZINC000223128900 571434405 /nfs/dbraw/zinc/43/44/05/571434405.db2.gz RWPWWBMZYSPQQL-JWQCQUIFSA-N 1 2 512.123 4.671 40 10 KJCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc2ccccc21 ZINC000223137277 571435100 /nfs/dbraw/zinc/43/51/00/571435100.db2.gz YBOHEXNJIYLRHY-FQLXRVMXSA-N 1 2 511.695 4.947 40 10 KJCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc2ccccc21 ZINC000223137346 571435123 /nfs/dbraw/zinc/43/51/23/571435123.db2.gz YBOHEXNJIYLRHY-WDYNHAJCSA-N 1 2 511.695 4.947 40 10 KJCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc2ccccc21 ZINC000223137408 571435117 /nfs/dbraw/zinc/43/51/17/571435117.db2.gz YBOHEXNJIYLRHY-URLMMPGGSA-N 1 2 511.695 4.947 40 10 KJCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc2ccccc21 ZINC000223137465 571435137 /nfs/dbraw/zinc/43/51/37/571435137.db2.gz YBOHEXNJIYLRHY-VMPREFPWSA-N 1 2 511.695 4.947 40 10 KJCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223139096 571435314 /nfs/dbraw/zinc/43/53/14/571435314.db2.gz ITWMGWSOAQDEKI-JWQCQUIFSA-N 1 2 529.632 4.813 40 10 KJCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223139145 571435357 /nfs/dbraw/zinc/43/53/57/571435357.db2.gz ITWMGWSOAQDEKI-RPBOFIJWSA-N 1 2 529.632 4.813 40 10 KJCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223139200 571435312 /nfs/dbraw/zinc/43/53/12/571435312.db2.gz ITWMGWSOAQDEKI-LOSJGSFVSA-N 1 2 529.632 4.813 40 10 KJCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccccc1C(F)(F)F ZINC000223139255 571435333 /nfs/dbraw/zinc/43/53/33/571435333.db2.gz ITWMGWSOAQDEKI-DQEYMECFSA-N 1 2 529.632 4.813 40 10 KJCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccccc1Br ZINC000223141334 571435520 /nfs/dbraw/zinc/43/55/20/571435520.db2.gz CMLORQJUOICXTJ-JWQCQUIFSA-N 1 2 540.531 4.556 40 10 KJCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccccc1Br ZINC000223141394 571435516 /nfs/dbraw/zinc/43/55/16/571435516.db2.gz CMLORQJUOICXTJ-RPBOFIJWSA-N 1 2 540.531 4.556 40 10 KJCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccccc1Br ZINC000223141450 571435575 /nfs/dbraw/zinc/43/55/75/571435575.db2.gz CMLORQJUOICXTJ-LOSJGSFVSA-N 1 2 540.531 4.556 40 10 KJCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccccc1Br ZINC000223141510 571435522 /nfs/dbraw/zinc/43/55/22/571435522.db2.gz CMLORQJUOICXTJ-DQEYMECFSA-N 1 2 540.531 4.556 40 10 KJCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(Br)c1 ZINC000223141587 571435555 /nfs/dbraw/zinc/43/55/55/571435555.db2.gz VJMRUYMHDKRXPS-JWQCQUIFSA-N 1 2 540.531 4.556 40 10 KJCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(Br)c1 ZINC000223141657 571435557 /nfs/dbraw/zinc/43/55/57/571435557.db2.gz VJMRUYMHDKRXPS-RPBOFIJWSA-N 1 2 540.531 4.556 40 10 KJCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(Br)c1 ZINC000223141712 571435536 /nfs/dbraw/zinc/43/55/36/571435536.db2.gz VJMRUYMHDKRXPS-LOSJGSFVSA-N 1 2 540.531 4.556 40 10 KJCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(Br)c1 ZINC000223141773 571435545 /nfs/dbraw/zinc/43/55/45/571435545.db2.gz VJMRUYMHDKRXPS-DQEYMECFSA-N 1 2 540.531 4.556 40 10 KJCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc(Br)cc1 ZINC000223141852 571435569 /nfs/dbraw/zinc/43/55/69/571435569.db2.gz IHBVRJBSLIMZSN-JWQCQUIFSA-N 1 2 540.531 4.556 40 10 KJCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc(Br)cc1 ZINC000223141906 571435530 /nfs/dbraw/zinc/43/55/30/571435530.db2.gz IHBVRJBSLIMZSN-RPBOFIJWSA-N 1 2 540.531 4.556 40 10 KJCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc(Br)cc1 ZINC000223141945 571435559 /nfs/dbraw/zinc/43/55/59/571435559.db2.gz IHBVRJBSLIMZSN-LOSJGSFVSA-N 1 2 540.531 4.556 40 10 KJCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc(Br)cc1 ZINC000223141995 571435665 /nfs/dbraw/zinc/43/56/65/571435665.db2.gz IHBVRJBSLIMZSN-DQEYMECFSA-N 1 2 540.531 4.556 40 10 KJCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1c(C)cc(C)cc1C ZINC000223146289 571436304 /nfs/dbraw/zinc/43/63/04/571436304.db2.gz WDXAIWGPUOWEAD-IXCJQBJRSA-N 1 2 503.716 4.719 40 10 KJCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1c(C)cc(C)cc1C ZINC000223146353 571436269 /nfs/dbraw/zinc/43/62/69/571436269.db2.gz WDXAIWGPUOWEAD-IAPPQJPRSA-N 1 2 503.716 4.719 40 10 KJCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1c(C)cc(C)cc1C ZINC000223146426 571436297 /nfs/dbraw/zinc/43/62/97/571436297.db2.gz WDXAIWGPUOWEAD-XTEPFMGCSA-N 1 2 503.716 4.719 40 10 KJCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1c(C)cc(C)cc1C ZINC000223146484 571436287 /nfs/dbraw/zinc/43/62/87/571436287.db2.gz WDXAIWGPUOWEAD-XCZPVHLTSA-N 1 2 503.716 4.719 40 10 KJCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1C ZINC000223146566 571436272 /nfs/dbraw/zinc/43/62/72/571436272.db2.gz ITVDJCOJTDYNBB-CLJLJLNGSA-N 1 2 510.107 4.756 40 10 KJCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1C ZINC000223146628 571436300 /nfs/dbraw/zinc/43/63/00/571436300.db2.gz ITVDJCOJTDYNBB-FTJBHMTQSA-N 1 2 510.107 4.756 40 10 KJCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1C ZINC000223146689 571436335 /nfs/dbraw/zinc/43/63/35/571436335.db2.gz ITVDJCOJTDYNBB-IZZNHLLZSA-N 1 2 510.107 4.756 40 10 KJCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1C ZINC000223146744 571436376 /nfs/dbraw/zinc/43/63/76/571436376.db2.gz ITVDJCOJTDYNBB-UIOOFZCWSA-N 1 2 510.107 4.756 40 10 KJCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cc(Cl)ccc1C ZINC000223147335 571436361 /nfs/dbraw/zinc/43/63/61/571436361.db2.gz UZPJXBABFKJDMH-CLJLJLNGSA-N 1 2 510.107 4.756 40 10 KJCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cc(Cl)ccc1C ZINC000223147371 571436522 /nfs/dbraw/zinc/43/65/22/571436522.db2.gz UZPJXBABFKJDMH-FTJBHMTQSA-N 1 2 510.107 4.756 40 10 KJCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cc(Cl)ccc1C ZINC000223147435 571436428 /nfs/dbraw/zinc/43/64/28/571436428.db2.gz UZPJXBABFKJDMH-IZZNHLLZSA-N 1 2 510.107 4.756 40 10 KJCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cc(Cl)ccc1C ZINC000223147491 571436511 /nfs/dbraw/zinc/43/65/11/571436511.db2.gz UZPJXBABFKJDMH-UIOOFZCWSA-N 1 2 510.107 4.756 40 10 KJCBLO CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1C ZINC000223148337 571436552 /nfs/dbraw/zinc/43/65/52/571436552.db2.gz OUYRKALMDCCDGZ-IXCJQBJRSA-N 1 2 503.716 4.665 40 10 KJCBLO CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1C ZINC000223148385 571436603 /nfs/dbraw/zinc/43/66/03/571436603.db2.gz OUYRKALMDCCDGZ-IAPPQJPRSA-N 1 2 503.716 4.665 40 10 KJCBLO CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1C ZINC000223148444 571436650 /nfs/dbraw/zinc/43/66/50/571436650.db2.gz OUYRKALMDCCDGZ-XTEPFMGCSA-N 1 2 503.716 4.665 40 10 KJCBLO CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1C ZINC000223148503 571436581 /nfs/dbraw/zinc/43/65/81/571436581.db2.gz OUYRKALMDCCDGZ-XCZPVHLTSA-N 1 2 503.716 4.665 40 10 KJCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cc(Cl)ccc1O ZINC000223176093 571441087 /nfs/dbraw/zinc/44/10/87/571441087.db2.gz FVYQIWQMNNJNFG-CLJLJLNGSA-N 1 2 526.106 4.543 40 10 KJCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cc(Cl)ccc1O ZINC000223176151 571441047 /nfs/dbraw/zinc/44/10/47/571441047.db2.gz FVYQIWQMNNJNFG-FTJBHMTQSA-N 1 2 526.106 4.543 40 10 KJCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cc(Cl)ccc1O ZINC000223176205 571441079 /nfs/dbraw/zinc/44/10/79/571441079.db2.gz FVYQIWQMNNJNFG-IZZNHLLZSA-N 1 2 526.106 4.543 40 10 KJCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cc(Cl)ccc1O ZINC000223176269 571441204 /nfs/dbraw/zinc/44/12/04/571441204.db2.gz FVYQIWQMNNJNFG-UIOOFZCWSA-N 1 2 526.106 4.543 40 10 KJCBLO CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1C ZINC000223182699 571441797 /nfs/dbraw/zinc/44/17/97/571441797.db2.gz OZCRWIRMLUJXEO-VSGBNLITSA-N 1 2 503.716 4.746 40 10 KJCBLO CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1C ZINC000223182753 571441773 /nfs/dbraw/zinc/44/17/73/571441773.db2.gz OZCRWIRMLUJXEO-IZLXSDGUSA-N 1 2 503.716 4.746 40 10 KJCBLO CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1C ZINC000223182803 571441800 /nfs/dbraw/zinc/44/18/00/571441800.db2.gz OZCRWIRMLUJXEO-WUFINQPMSA-N 1 2 503.716 4.746 40 10 KJCBLO CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1C ZINC000223182869 571441820 /nfs/dbraw/zinc/44/18/20/571441820.db2.gz OZCRWIRMLUJXEO-NSOVKSMOSA-N 1 2 503.716 4.746 40 10 KJCBLO CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)c2C)cc1 ZINC000223182948 571441771 /nfs/dbraw/zinc/44/17/71/571441771.db2.gz TYNTXBLSVQDRCR-VSGBNLITSA-N 1 2 503.716 4.746 40 10 KJCBLO CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)c2C)cc1 ZINC000223183009 571441830 /nfs/dbraw/zinc/44/18/30/571441830.db2.gz TYNTXBLSVQDRCR-IZLXSDGUSA-N 1 2 503.716 4.746 40 10 KJCBLO CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)c2C)cc1 ZINC000223183076 571441825 /nfs/dbraw/zinc/44/18/25/571441825.db2.gz TYNTXBLSVQDRCR-WUFINQPMSA-N 1 2 503.716 4.746 40 10 KJCBLO CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)c2C)cc1 ZINC000223183142 571441815 /nfs/dbraw/zinc/44/18/15/571441815.db2.gz TYNTXBLSVQDRCR-NSOVKSMOSA-N 1 2 503.716 4.746 40 10 KJCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1Cl ZINC000223183992 571441897 /nfs/dbraw/zinc/44/18/97/571441897.db2.gz QIQZEKCLKNLPAP-CLJLJLNGSA-N 1 2 510.107 4.837 40 10 KJCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1Cl ZINC000223184044 571441910 /nfs/dbraw/zinc/44/19/10/571441910.db2.gz QIQZEKCLKNLPAP-FTJBHMTQSA-N 1 2 510.107 4.837 40 10 KJCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1Cl ZINC000223184097 571441917 /nfs/dbraw/zinc/44/19/17/571441917.db2.gz QIQZEKCLKNLPAP-IZZNHLLZSA-N 1 2 510.107 4.837 40 10 KJCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1Cl ZINC000223184149 571441907 /nfs/dbraw/zinc/44/19/07/571441907.db2.gz QIQZEKCLKNLPAP-UIOOFZCWSA-N 1 2 510.107 4.837 40 10 KJCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1 ZINC000223184224 571442027 /nfs/dbraw/zinc/44/20/27/571442027.db2.gz VINOYXYDUYXFEW-CLJLJLNGSA-N 1 2 510.107 4.837 40 10 KJCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1 ZINC000223184280 571442096 /nfs/dbraw/zinc/44/20/96/571442096.db2.gz VINOYXYDUYXFEW-FTJBHMTQSA-N 1 2 510.107 4.837 40 10 KJCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1 ZINC000223184336 571442000 /nfs/dbraw/zinc/44/20/00/571442000.db2.gz VINOYXYDUYXFEW-IZZNHLLZSA-N 1 2 510.107 4.837 40 10 KJCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1 ZINC000223184389 571442107 /nfs/dbraw/zinc/44/21/07/571442107.db2.gz VINOYXYDUYXFEW-UIOOFZCWSA-N 1 2 510.107 4.837 40 10 KJCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000223184472 571442048 /nfs/dbraw/zinc/44/20/48/571442048.db2.gz COAOBLMFGCOKHI-CLJLJLNGSA-N 1 2 510.107 4.837 40 10 KJCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000223184527 571442033 /nfs/dbraw/zinc/44/20/33/571442033.db2.gz COAOBLMFGCOKHI-FTJBHMTQSA-N 1 2 510.107 4.837 40 10 KJCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000223184581 571442012 /nfs/dbraw/zinc/44/20/12/571442012.db2.gz COAOBLMFGCOKHI-IZZNHLLZSA-N 1 2 510.107 4.837 40 10 KJCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000223184629 571442075 /nfs/dbraw/zinc/44/20/75/571442075.db2.gz COAOBLMFGCOKHI-UIOOFZCWSA-N 1 2 510.107 4.837 40 10 KJCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1Br ZINC000223184707 571442066 /nfs/dbraw/zinc/44/20/66/571442066.db2.gz SVGRSDRRVYGCKK-CLJLJLNGSA-N 1 2 554.558 4.946 40 10 KJCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1Br ZINC000223184766 571442044 /nfs/dbraw/zinc/44/20/44/571442044.db2.gz SVGRSDRRVYGCKK-FTJBHMTQSA-N 1 2 554.558 4.946 40 10 KJCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1Br ZINC000223184832 571442079 /nfs/dbraw/zinc/44/20/79/571442079.db2.gz SVGRSDRRVYGCKK-IZZNHLLZSA-N 1 2 554.558 4.946 40 10 KJCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1Br ZINC000223184894 571442036 /nfs/dbraw/zinc/44/20/36/571442036.db2.gz SVGRSDRRVYGCKK-UIOOFZCWSA-N 1 2 554.558 4.946 40 10 KJCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(Br)c1 ZINC000223184981 571441996 /nfs/dbraw/zinc/44/19/96/571441996.db2.gz CVKPBGNCGIAXSP-CLJLJLNGSA-N 1 2 554.558 4.946 40 10 KJCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(Br)c1 ZINC000223185031 571442122 /nfs/dbraw/zinc/44/21/22/571442122.db2.gz CVKPBGNCGIAXSP-FTJBHMTQSA-N 1 2 554.558 4.946 40 10 KJCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(Br)c1 ZINC000223185086 571442170 /nfs/dbraw/zinc/44/21/70/571442170.db2.gz CVKPBGNCGIAXSP-IZZNHLLZSA-N 1 2 554.558 4.946 40 10 KJCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(Br)c1 ZINC000223185146 571442147 /nfs/dbraw/zinc/44/21/47/571442147.db2.gz CVKPBGNCGIAXSP-UIOOFZCWSA-N 1 2 554.558 4.946 40 10 KJCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc(Br)cc1 ZINC000223185237 571442156 /nfs/dbraw/zinc/44/21/56/571442156.db2.gz JNSDNJZETFUQBB-CLJLJLNGSA-N 1 2 554.558 4.946 40 10 KJCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc(Br)cc1 ZINC000223185290 571442131 /nfs/dbraw/zinc/44/21/31/571442131.db2.gz JNSDNJZETFUQBB-FTJBHMTQSA-N 1 2 554.558 4.946 40 10 KJCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc(Br)cc1 ZINC000223185343 571442117 /nfs/dbraw/zinc/44/21/17/571442117.db2.gz JNSDNJZETFUQBB-IZZNHLLZSA-N 1 2 554.558 4.946 40 10 KJCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc(Br)cc1 ZINC000223185398 571442185 /nfs/dbraw/zinc/44/21/85/571442185.db2.gz JNSDNJZETFUQBB-UIOOFZCWSA-N 1 2 554.558 4.946 40 10 KJCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(C)c1C ZINC000223188206 571442641 /nfs/dbraw/zinc/44/26/41/571442641.db2.gz OVGROXLZIQAZDW-VSGBNLITSA-N 1 2 503.716 4.801 40 10 KJCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(C)c1C ZINC000223188266 571442645 /nfs/dbraw/zinc/44/26/45/571442645.db2.gz OVGROXLZIQAZDW-IZLXSDGUSA-N 1 2 503.716 4.801 40 10 KJCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(C)c1C ZINC000223188319 571442697 /nfs/dbraw/zinc/44/26/97/571442697.db2.gz OVGROXLZIQAZDW-WUFINQPMSA-N 1 2 503.716 4.801 40 10 KJCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(C)c1C ZINC000223188378 571442694 /nfs/dbraw/zinc/44/26/94/571442694.db2.gz OVGROXLZIQAZDW-NSOVKSMOSA-N 1 2 503.716 4.801 40 10 KJCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cc(C)ccc1C ZINC000223188453 571442795 /nfs/dbraw/zinc/44/27/95/571442795.db2.gz ACGMIWKFIRJZFC-VSGBNLITSA-N 1 2 503.716 4.801 40 10 KJCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cc(C)ccc1C ZINC000223188511 571442756 /nfs/dbraw/zinc/44/27/56/571442756.db2.gz ACGMIWKFIRJZFC-IZLXSDGUSA-N 1 2 503.716 4.801 40 10 KJCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cc(C)ccc1C ZINC000223188562 571442699 /nfs/dbraw/zinc/44/26/99/571442699.db2.gz ACGMIWKFIRJZFC-WUFINQPMSA-N 1 2 503.716 4.801 40 10 KJCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cc(C)ccc1C ZINC000223188626 571442726 /nfs/dbraw/zinc/44/27/26/571442726.db2.gz ACGMIWKFIRJZFC-NSOVKSMOSA-N 1 2 503.716 4.801 40 10 KJCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1c(C)cccc1C ZINC000223188706 571442717 /nfs/dbraw/zinc/44/27/17/571442717.db2.gz QYRPTELKTZAJCM-IXCJQBJRSA-N 1 2 503.716 4.801 40 10 KJCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1c(C)cccc1C ZINC000223188760 571442766 /nfs/dbraw/zinc/44/27/66/571442766.db2.gz QYRPTELKTZAJCM-IAPPQJPRSA-N 1 2 503.716 4.801 40 10 KJCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1c(C)cccc1C ZINC000223188813 571442803 /nfs/dbraw/zinc/44/28/03/571442803.db2.gz QYRPTELKTZAJCM-XTEPFMGCSA-N 1 2 503.716 4.801 40 10 KJCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1c(C)cccc1C ZINC000223188866 571442762 /nfs/dbraw/zinc/44/27/62/571442762.db2.gz QYRPTELKTZAJCM-XCZPVHLTSA-N 1 2 503.716 4.801 40 10 KJCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000223188938 571442783 /nfs/dbraw/zinc/44/27/83/571442783.db2.gz JQZSFBPCDWDSTJ-VSGBNLITSA-N 1 2 503.716 4.801 40 10 KJCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000223188990 571442772 /nfs/dbraw/zinc/44/27/72/571442772.db2.gz JQZSFBPCDWDSTJ-IZLXSDGUSA-N 1 2 503.716 4.801 40 10 KJCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000223189069 571442877 /nfs/dbraw/zinc/44/28/77/571442877.db2.gz JQZSFBPCDWDSTJ-WUFINQPMSA-N 1 2 503.716 4.801 40 10 KJCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000223189130 571442820 /nfs/dbraw/zinc/44/28/20/571442820.db2.gz JQZSFBPCDWDSTJ-NSOVKSMOSA-N 1 2 503.716 4.801 40 10 KJCBLO COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1C ZINC000223190968 571443089 /nfs/dbraw/zinc/44/30/89/571443089.db2.gz FDBPEJIKYJSIQL-KAYWLYCHSA-N 1 2 540.133 4.846 40 10 KJCBLO COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1C ZINC000223191030 571443115 /nfs/dbraw/zinc/44/31/15/571443115.db2.gz FDBPEJIKYJSIQL-SXOMAYOGSA-N 1 2 540.133 4.846 40 10 KJCBLO COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1C ZINC000223191088 571443042 /nfs/dbraw/zinc/44/30/42/571443042.db2.gz FDBPEJIKYJSIQL-RRPNLBNLSA-N 1 2 540.133 4.846 40 10 KJCBLO COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1C ZINC000223191158 571443105 /nfs/dbraw/zinc/44/31/05/571443105.db2.gz FDBPEJIKYJSIQL-SVBPBHIXSA-N 1 2 540.133 4.846 40 10 KJCBLO CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(CN5CC[NH+](C)CC5)c(c(O)c4c(O)c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C2=O ZINC000254016433 572302073 /nfs/dbraw/zinc/30/20/73/572302073.db2.gz JIJQRBWJNKPMEO-ZUEULMJNSA-N 1 2 809.954 4.502 40 10 KJCBLO CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(C[NH+](C)C)c(c(O)c4c(O)c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C2=O ZINC000254134195 572302175 /nfs/dbraw/zinc/30/21/75/572302175.db2.gz MLCFJDJPAIZRMR-ABXLTNBCSA-N 1 2 754.874 4.816 40 10 KJCBLO CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(C[NH+](C)C)c(c(O)c4c(O)c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000254134198 572302214 /nfs/dbraw/zinc/30/22/14/572302214.db2.gz MLCFJDJPAIZRMR-NEVNEGCUSA-N 1 2 754.874 4.816 40 10 KJCBLO CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(C[NH+](C)C)c(c(O)c4c(O)c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C)C2=O ZINC000254134200 572302137 /nfs/dbraw/zinc/30/21/37/572302137.db2.gz MLCFJDJPAIZRMR-NQIBAKJUSA-N 1 2 754.874 4.816 40 10 KJCBLO CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(C[NH+](C)C)c(c(O)c4c(O)c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)C2=O ZINC000254134202 572302191 /nfs/dbraw/zinc/30/21/91/572302191.db2.gz MLCFJDJPAIZRMR-ZVSDEQOESA-N 1 2 754.874 4.816 40 10 KJCBLO CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)cc21 ZINC000260924156 571862216 /nfs/dbraw/zinc/86/22/16/571862216.db2.gz RWPWWBMZYSPQQL-DQEYMECFSA-N 1 2 512.123 4.671 40 10 KJCBLO CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)cc21 ZINC000260924160 571862270 /nfs/dbraw/zinc/86/22/70/571862270.db2.gz RWPWWBMZYSPQQL-LOSJGSFVSA-N 1 2 512.123 4.671 40 10 KJCBLO CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)cc21 ZINC000260924164 571862383 /nfs/dbraw/zinc/86/23/83/571862383.db2.gz RWPWWBMZYSPQQL-RPBOFIJWSA-N 1 2 512.123 4.671 40 10 KJCBLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(N(CC)CC)cc1OC ZINC000261365939 572108379 /nfs/dbraw/zinc/10/83/79/572108379.db2.gz WIYKUGFVYCQKPW-AREMUKBSSA-O 1 2 508.668 4.797 40 10 KJCBLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(N(CC)CC)cc1OC ZINC000261365940 572108455 /nfs/dbraw/zinc/10/84/55/572108455.db2.gz WIYKUGFVYCQKPW-SANMLTNESA-O 1 2 508.668 4.797 40 10 KJCBLO CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408833482 1066632245 /nfs/dbraw/zinc/63/22/45/1066632245.db2.gz SODMMSMEUMNLCI-NNAGEYCMSA-N 1 2 554.716 4.580 40 10 KJCBLO CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408833484 1066632390 /nfs/dbraw/zinc/63/23/90/1066632390.db2.gz SODMMSMEUMNLCI-PQRKSKNISA-N 1 2 554.716 4.580 40 10 KJCBLO COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc([NH+](C)C)cc5)c4C)c(=O)n32)c1 ZINC000409016940 1066769025 /nfs/dbraw/zinc/76/90/25/1066769025.db2.gz BRJIPPNEARTWJW-JLKMOJGBSA-N 1 2 584.742 4.669 40 10 KJCBLO COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc([NH+](C)C)cc5)c4C)c(=O)n32)c1 ZINC000409016944 1066768966 /nfs/dbraw/zinc/76/89/66/1066768966.db2.gz BRJIPPNEARTWJW-UNDLXJOSSA-N 1 2 584.742 4.669 40 10 KJCBLO CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000409017829 1066784021 /nfs/dbraw/zinc/78/40/21/1066784021.db2.gz HWPXQDSQVFUNPE-ASUJOLEISA-N 1 2 614.768 4.679 40 10 KJCBLO CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000409017837 1066783982 /nfs/dbraw/zinc/78/39/82/1066783982.db2.gz HWPXQDSQVFUNPE-OGMUYLFESA-N 1 2 614.768 4.679 40 10 KJCBLO COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc([NH+](C)C)cc5)c4C)c(=O)n32)c1 ZINC000409018023 1066302764 /nfs/dbraw/zinc/30/27/64/1066302764.db2.gz PKQZGQRMFXWHOT-OIUASMPBSA-N 1 2 614.768 4.678 40 10 KJCBLO COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc([NH+](C)C)cc5)c4C)c(=O)n32)c1 ZINC000409018024 1066783575 /nfs/dbraw/zinc/78/35/75/1066783575.db2.gz PKQZGQRMFXWHOT-QQMBNGEASA-N 1 2 614.768 4.678 40 10 KJCBLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)sc2=N1 ZINC000409022108 1066780378 /nfs/dbraw/zinc/78/03/78/1066780378.db2.gz JMVAJTDEHKITMS-MRWVFDTMSA-N 1 2 612.752 4.781 40 10 KJCBLO CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)sc2=N1 ZINC000409022110 1066304489 /nfs/dbraw/zinc/30/44/89/1066304489.db2.gz JMVAJTDEHKITMS-NBQDTTAVSA-N 1 2 612.752 4.781 40 10 KJCBLO CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409022268 1066304249 /nfs/dbraw/zinc/30/42/49/1066304249.db2.gz LTBDAZOCYYVQQR-NNAGEYCMSA-N 1 2 586.783 4.994 40 10 KJCBLO CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409022269 1066304536 /nfs/dbraw/zinc/30/45/36/1066304536.db2.gz LTBDAZOCYYVQQR-PQRKSKNISA-N 1 2 586.783 4.994 40 10 KJCBLO CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409023286 1066778920 /nfs/dbraw/zinc/77/89/20/1066778920.db2.gz WRONQBDDZVJYBP-RGFRMHDHSA-N 1 2 575.134 4.925 40 10 KJCBLO CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409023287 1066778859 /nfs/dbraw/zinc/77/88/59/1066778859.db2.gz WRONQBDDZVJYBP-XQNWCSQWSA-N 1 2 575.134 4.925 40 10 KJCBLO CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409024124 1066305221 /nfs/dbraw/zinc/30/52/21/1066305221.db2.gz WRFSJQJUGYOSAI-VPHSIRQSSA-N 1 2 605.160 4.934 40 10 KJCBLO CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409024125 1066778474 /nfs/dbraw/zinc/77/84/74/1066778474.db2.gz WRFSJQJUGYOSAI-YVBHXKDBSA-N 1 2 605.160 4.934 40 10 KJCBLO COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc([NH+](C)C)cc5)c4C)c(=O)n32)cc1 ZINC000409024391 1066778056 /nfs/dbraw/zinc/77/80/56/1066778056.db2.gz RWTORKQWHAXRST-JLHDDXNDSA-N 1 2 584.742 4.669 40 10 KJCBLO COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc([NH+](C)C)cc5)c4C)c(=O)n32)cc1 ZINC000409024394 1066777918 /nfs/dbraw/zinc/77/79/18/1066777918.db2.gz RWTORKQWHAXRST-PYCBVSLESA-N 1 2 584.742 4.669 40 10 KJCBLO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)cc1 ZINC000409096301 1066857218 /nfs/dbraw/zinc/85/72/18/1066857218.db2.gz KLTPRULMHSVNOO-LFVJCYFKSA-N 1 2 532.666 4.789 40 10 KJCBLO CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000409099815 1066874687 /nfs/dbraw/zinc/87/46/87/1066874687.db2.gz LUHBEJTXIRRENL-DEDRDRDXSA-N 1 2 597.785 4.586 40 10 KJCBLO CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409099818 1066874772 /nfs/dbraw/zinc/87/47/72/1066874772.db2.gz LUHBEJTXIRRENL-ITNAUSPISA-N 1 2 597.785 4.586 40 10 KJCBLO CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409106272 1066323790 /nfs/dbraw/zinc/32/37/90/1066323790.db2.gz QTSZJNFVNHPOHG-HZHHUVPKSA-N 1 2 627.811 4.594 40 10 KJCBLO CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409106273 1066323587 /nfs/dbraw/zinc/32/35/87/1066323587.db2.gz QTSZJNFVNHPOHG-ISZRBDKASA-N 1 2 627.811 4.594 40 10 KJCBLO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4OC)C3=O)c2C)cc1 ZINC000409166901 1066936321 /nfs/dbraw/zinc/93/63/21/1066936321.db2.gz HJZMBPTXGCJAIH-HAVVHWLPSA-N 1 2 502.640 4.780 40 10 KJCBLO COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)C2=O)cc1 ZINC000409229585 1066339177 /nfs/dbraw/zinc/33/91/77/1066339177.db2.gz RMJMCCVKRNTWHH-BUVRLJJBSA-N 1 2 504.612 4.844 40 10 KJCBLO Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409370108 1067090218 /nfs/dbraw/zinc/09/02/18/1067090218.db2.gz LGJDJEBVWZCAMQ-QQXSKIMKSA-N 1 2 514.651 4.781 40 10 KJCBLO CN(CCc1ccccn1)c1ccc2c(c1)C[NH2+]CC(=O)N1CC[C@@H](CC(=O)NCc3ccccc3Cl)[C@@H](C=CCO2)C1 ZINC000958317646 1067139826 /nfs/dbraw/zinc/13/98/26/1067139826.db2.gz HKVHWOAKLRGDSK-BDYUSTAISA-N 1 2 602.179 4.623 40 10 KJCBLO CN(CCc1ccccn1)c1ccc2c(c1)C[NH2+]CC(=O)N1CC[C@@H](CC(=O)NCc3ccc(Cl)cc3)[C@@H](C=CCO2)C1 ZINC000958317647 1067140118 /nfs/dbraw/zinc/14/01/18/1067140118.db2.gz HRNGCLNBANLEJI-SVBPBHIXSA-N 1 2 602.179 4.623 40 10 KJCBLO