smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NC(=[NH2+])Nc1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4[nH+]c4ccccc43)cc2)cc1 ZINC000026848858 561826884 /nfs/dbraw/zinc/82/68/84/561826884.db2.gz GEKRENHXBVQPIH-UHFFFAOYSA-N 3 2 503.570 5.605 1 10 KKCFLP COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)c2c1 ZINC000064548878 562707923 /nfs/dbraw/zinc/70/79/23/562707923.db2.gz TXWDTHWXEGBENY-UHFFFAOYSA-N 2 2 511.412 8.739 1 10 KKCFLP COc1ccc(N2CC[NH+](CCOC(=O)c3ccccc3Nc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1 ZINC000169333336 562859286 /nfs/dbraw/zinc/85/92/86/562859286.db2.gz XBOZBOXPTZBTTR-UHFFFAOYSA-N 2 2 517.029 5.619 1 10 KKCFLP COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(Nc4nc(Nc5ccccc5)nc(N5CC[NH+](C)CC5)n4)cc3)c2c1 ZINC000049832361 562687205 /nfs/dbraw/zinc/68/72/05/562687205.db2.gz MPISXMUMXVRLDV-UHFFFAOYSA-N 2 2 618.145 7.218 1 10 KKCFLP C[N@H+](CCCNc1c2ccccc2[nH+]c2c1CCCC2)CCC[NH2+]Cc1cc(Cl)c2cccnc2c1O ZINC000053243664 562696829 /nfs/dbraw/zinc/69/68/29/562696829.db2.gz PAIAUVBTMGLHFA-UHFFFAOYSA-N 3 2 518.105 5.935 1 10 KKCFLP C[N@@H+](CCCNc1c2ccccc2[nH+]c2c1CCCC2)CCC[NH2+]Cc1cc(Cl)c2cccnc2c1O ZINC000053243664 562696830 /nfs/dbraw/zinc/69/68/30/562696830.db2.gz PAIAUVBTMGLHFA-UHFFFAOYSA-N 3 2 518.105 5.935 1 10 KKCFLP COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3cccc(Nc4cc[nH+]c5cc(Cl)ccc45)c3)c2c1 ZINC000064548869 562707946 /nfs/dbraw/zinc/70/79/46/562707946.db2.gz GBLQZIPXFKBMNR-UHFFFAOYSA-N 2 2 511.412 8.739 1 10 KKCFLP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+]3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)c2c1 ZINC000064548877 562707951 /nfs/dbraw/zinc/70/79/51/562707951.db2.gz QLPVKQWKJKFJMS-UHFFFAOYSA-N 3 2 546.502 6.876 1 10 KKCFLP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCC[NH+]3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)c2c1 ZINC000064559786 562708435 /nfs/dbraw/zinc/70/84/35/562708435.db2.gz MXUXOZPQSKWKTC-UHFFFAOYSA-N 3 2 532.475 6.486 1 10 KKCFLP [NH3+]CCCCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3cc([N+](=O)[O-])ccc32)cc1 ZINC000026841589 561825886 /nfs/dbraw/zinc/82/58/86/561825886.db2.gz QLVMJVZMVHGTKM-UHFFFAOYSA-N 2 2 521.643 6.081 1 10 KKCFLP Oc1c(F)cc(C[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)cc1C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000027866699 561887720 /nfs/dbraw/zinc/88/77/20/561887720.db2.gz NWLURCHZWLOJOV-UHFFFAOYSA-N 2 2 559.509 5.805 1 10 KKCFLP CC(C)(C)[NH2+]Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)cc(-c2ccc(Cl)c(Cl)c2)c1O ZINC000028010658 561896239 /nfs/dbraw/zinc/89/62/39/561896239.db2.gz KBQQAKSGVQUMKB-UHFFFAOYSA-N 2 2 500.857 8.199 1 10 KKCFLP c1ccc2c(c1)[nH+]c1ccccc1c2NCC[NH2+]CC[NH2+]CCNc1c2ccccc2[nH+]c2ccccc21 ZINC000029339812 562015009 /nfs/dbraw/zinc/01/50/09/562015009.db2.gz JWJPLFIRTBYGBR-UHFFFAOYSA-N 4 2 500.650 5.793 1 10 KKCFLP Oc1c(C[NH+]2CCCC2)cc(Nc2cc(-c3ccc4ccccc4c3)[nH+]c3ccccc23)cc1C[NH+]1CCCC1 ZINC000029485135 562028155 /nfs/dbraw/zinc/02/81/55/562028155.db2.gz TXJPFVUANOQSHB-UHFFFAOYSA-N 3 2 528.700 7.696 1 10 KKCFLP Oc1c(C[NH+]2CCOCC2)cc(Nc2cc(-c3ccc4ccccc4c3)[nH+]c3ccccc23)cc1C[NH+]1CCOCC1 ZINC000029488411 562028785 /nfs/dbraw/zinc/02/87/85/562028785.db2.gz JKYZAOOQVVBIAR-UHFFFAOYSA-N 3 2 560.698 6.169 1 10 KKCFLP COc1cc2c(c(Oc3ccc4c(c3)[C@H](Cc3ccc(O)cc3)[NH2+]CC4)c1OC)C[C@@H]1c3cc(O)c(O)cc3C[C@H]2[N@H+]1C ZINC000095486212 560061601 /nfs/dbraw/zinc/06/16/01/560061601.db2.gz GHJNUCJMWQBYPG-FRXPANAUSA-N 2 2 580.681 5.869 1 10 biogenic,in-vitro KKCFLP COc1cc2c(c(Oc3ccc4c(c3)[C@H](Cc3ccc(O)cc3)[NH2+]CC4)c1OC)C[C@@H]1c3cc(O)c(O)cc3C[C@H]2[N@@H+]1C ZINC000095486212 560061603 /nfs/dbraw/zinc/06/16/03/560061603.db2.gz GHJNUCJMWQBYPG-FRXPANAUSA-N 2 2 580.681 5.869 1 10 biogenic,in-vitro KKCFLP CCc1c(C)c2cc3[nH+]c(cc4nc(c5cc(=O)c6c(C)c(cc1[nH]2)[nH]c56)[C@@H](CCC(=O)OC)[C@@H]4C)c(C)c3=CCc1ccc2ccccc2[n+]1C ZINC000084605045 562744356 /nfs/dbraw/zinc/74/43/56/562744356.db2.gz LQOHRYXIZIGGEL-FKAPRUDGSA-O 2 2 690.868 8.807 1 10 KKCFLP C[NH+](C)c1ccc(Nc2c3ccc(NC(=O)CC[NH+]4CCCCC4)cc3[nH+]c3cc(NC(=O)CC[NH+]4CCCCC4)ccc32)cc1 ZINC000028878780 561976209 /nfs/dbraw/zinc/97/62/09/561976209.db2.gz KDARGJAOMHYKPC-UHFFFAOYSA-N 4 2 621.830 6.827 1 10 KKCFLP COc1ccc(C[C@@H]2[NH2+]CCc3ccc(Oc4c5c(cc(OC)c4OC)[C@H]4Cc6cc(O)c(O)cc6[C@@H](C5)[N@@H+]4C)cc32)cc1 ZINC000095486207 560061569 /nfs/dbraw/zinc/06/15/69/560061569.db2.gz WIGOMPIDZWTIAG-OJDZSJEKSA-N 2 2 594.708 6.172 1 10 biogenic,in-vitro KKCFLP COc1ccc(C[C@@H]2[NH2+]CCc3ccc(Oc4c5c(cc(OC)c4OC)[C@H]4Cc6cc(O)c(O)cc6[C@@H](C5)[N@H+]4C)cc32)cc1 ZINC000095486207 560061570 /nfs/dbraw/zinc/06/15/70/560061570.db2.gz WIGOMPIDZWTIAG-OJDZSJEKSA-N 2 2 594.708 6.172 1 10 biogenic,in-vitro KKCFLP CC(C)[NH+]1CCN(c2ccc(OCCCC[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)cc2Cl)CC1 ZINC000049625982 562666922 /nfs/dbraw/zinc/66/69/22/562666922.db2.gz QMAABSIVQQZWDZ-UHFFFAOYSA-N 2 2 539.979 6.158 1 10 KKCFLP COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(Nc4nc(NCCC[NH+]5CCOCC5)nc(Nc5ccccc5)n4)cc3)c2c1 ZINC000049780248 562681523 /nfs/dbraw/zinc/68/15/23/562681523.db2.gz XVWMYJDTIDVFIB-UHFFFAOYSA-N 2 2 662.198 7.600 1 10 KKCFLP CC[NH+](CC)CCNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3cc(I)ccc3[nH+]c12 ZINC000049844821 562688677 /nfs/dbraw/zinc/68/86/77/562688677.db2.gz GCACGSAPIFOYTI-UHFFFAOYSA-N 2 2 661.566 5.188 1 10 KKCFLP CC[N@H+](CCCC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1O ZINC000071341817 562720034 /nfs/dbraw/zinc/72/00/34/562720034.db2.gz CXCPYOFEHPZVGC-FQEVSTJZSA-N 2 2 533.969 5.115 1 10 KKCFLP CC[N@@H+](CCCC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1O ZINC000071341817 562720035 /nfs/dbraw/zinc/72/00/35/562720035.db2.gz CXCPYOFEHPZVGC-FQEVSTJZSA-N 2 2 533.969 5.115 1 10 KKCFLP C[C@@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Nc2ccc(C[NH+]3CCCCC3)c(O)c2)cc1)c1ccccc1 ZINC000095586721 562774066 /nfs/dbraw/zinc/77/40/66/562774066.db2.gz FCQDCOCMBFOUEA-YGRAIWFFSA-N 2 2 592.784 6.175 1 10 KKCFLP CC[NH+](CC)CCNc1ccc(NCCC[NH+](C)CCCNc2ccc(NCC[NH+](CC)CC)c3c2C(=O)c2ccncc2C3=O)c2c1C(=O)c1cnccc1C2=O ZINC000095608115 562783352 /nfs/dbraw/zinc/78/33/52/562783352.db2.gz TUEDIMZXKADDPC-UHFFFAOYSA-N 3 2 788.010 5.771 1 10 KKCFLP Cc1cc(=[NH+]CC[NH+]=c2cc(C)c3c(o2)C(=NNc2ccncc2)C(=O)C=C3)oc2c1C=CC(=O)C2=NNc1ccncc1 ZINC000098083964 562805529 /nfs/dbraw/zinc/80/55/29/562805529.db2.gz PHGGKZMZFBTQFK-HKTOSYHJSA-N 2 2 586.612 7.329 1 10 KKCFLP COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@@H](C)[NH2+][C@@H]4C)cc(-c3cc(-c4c(O)cc5c(c4OC)C(C)=[NH+][C@@H](C)C5)c4cc(C)ccc4c3O)c(O)c12 ZINC000095486142 519096516 /nfs/dbraw/zinc/09/65/16/519096516.db2.gz QIRUCEFVHOXGNC-JBRSBNLGSA-N 2 2 738.881 9.505 1 10 biogenic,in-vitro KKCFLP Oc1c(F)cc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000027861217 561887086 /nfs/dbraw/zinc/88/70/86/561887086.db2.gz XXWKPUNIFIWEFF-UHFFFAOYSA-N 2 2 529.487 5.483 1 10 KKCFLP Oc1c(C[NH+]2CCCCC2)cc(Nc2cc(-c3ccc4ccccc4c3)[nH+]c3ccccc23)cc1C[NH+]1CCCCC1 ZINC000029485138 562028089 /nfs/dbraw/zinc/02/80/89/562028089.db2.gz IRJRHXOUHTZPLT-UHFFFAOYSA-N 3 2 556.754 8.476 1 10 KKCFLP Oc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1C[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000045287430 562660245 /nfs/dbraw/zinc/66/02/45/562660245.db2.gz LCJRAYYGGYGPNY-UHFFFAOYSA-N 2 2 502.043 6.269 1 10 KKCFLP Nc1[nH+]cc(-c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)cc1OCc1ccccc1C(F)(F)F ZINC000072183037 562732893 /nfs/dbraw/zinc/73/28/93/562732893.db2.gz VBZNTJZERXQKQT-XMMPIXPASA-N 2 2 524.587 5.629 1 10 KKCFLP NC(=[NH2+])NCCCCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3cc([N+](=O)[O-])ccc32)cc1 ZINC000026846452 561826569 /nfs/dbraw/zinc/82/65/69/561826569.db2.gz LHLHBOPJTCXPGE-UHFFFAOYSA-N 2 2 563.684 5.605 1 10 KKCFLP Oc1c(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1-c1ccc(Cl)cc1 ZINC000028006261 561895658 /nfs/dbraw/zinc/89/56/58/561895658.db2.gz TXDROMGXCHWFNL-UHFFFAOYSA-N 2 2 544.526 8.716 1 10 KKCFLP COC(=O)[C@@H]1CCC[NH+]1Cc1cc2ccccc2c(-c2c(O)c(C[N@H+]3CCC[C@H]3C(=O)OC)cc3ccccc32)c1O ZINC000028861950 561971881 /nfs/dbraw/zinc/97/18/81/561971881.db2.gz PPUAUQFXAYTAJQ-NSOVKSMOSA-N 2 2 568.670 5.346 1 10 KKCFLP COC(=O)[C@@H]1CCC[NH+]1Cc1cc2ccccc2c(-c2c(O)c(C[N@@H+]3CCC[C@H]3C(=O)OC)cc3ccccc32)c1O ZINC000028861950 561971883 /nfs/dbraw/zinc/97/18/83/561971883.db2.gz PPUAUQFXAYTAJQ-NSOVKSMOSA-N 2 2 568.670 5.346 1 10 KKCFLP CN(C)c1ccc(C[NH2+]CCCC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000043203585 562646967 /nfs/dbraw/zinc/64/69/67/562646967.db2.gz HOMSTFANHVANNJ-PMERELPUSA-N 2 2 505.106 5.210 1 10 KKCFLP CC(C)(C)c1ccc(COc2cc(-c3ccc(C(=O)N4CCC[C@@H]4C[NH+]4CCCC4)cc3)c[nH+]c2N)cc1 ZINC000072183038 562732907 /nfs/dbraw/zinc/73/29/07/562732907.db2.gz XRNCYEAKFAKLOH-MUUNZHRXSA-N 2 2 512.698 5.908 1 10 KKCFLP COc1ccc2c(c1)[nH+]c1cc([N+](=O)[O-])ccc1c2NCCCCCCCCNc1c2ccc(OC)cc2[nH+]c2cc([N+](=O)[O-])ccc21 ZINC000150632988 562848987 /nfs/dbraw/zinc/84/89/87/562848987.db2.gz WDUCNLAMAXFAMO-UHFFFAOYSA-N 2 2 648.720 8.788 1 10 KKCFLP C[NH+](C)c1ccc(Nc2c3cc(NC(=O)CC[NH+]4CCCC4)ccc3[nH+]c3ccc(NC(=O)CC[NH+]4CCCC4)cc32)cc1 ZINC000027520374 561863503 /nfs/dbraw/zinc/86/35/03/561863503.db2.gz INVNMQKEIVCKFW-UHFFFAOYSA-N 4 2 593.776 6.046 1 10 KKCFLP CC(C)(C)[NH2+]Cc1c(O)cc(-c2ccc(Cl)cc2)c(C[NH2+]C(C)(C)C)c1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000043543950 562649574 /nfs/dbraw/zinc/64/95/74/562649574.db2.gz DMOICIGGLIWPBD-UHFFFAOYSA-N 3 2 551.562 8.434 1 10 KKCFLP CC[N@H+](CCOc1no[n+]([O-])c1-c1ccccc1)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1O ZINC000071359435 562720089 /nfs/dbraw/zinc/72/00/89/562720089.db2.gz NFFNDYMGLTYYDL-UHFFFAOYSA-N 2 2 532.000 5.527 1 10 KKCFLP CC[N@@H+](CCOc1no[n+]([O-])c1-c1ccccc1)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1O ZINC000071359435 562720090 /nfs/dbraw/zinc/72/00/90/562720090.db2.gz NFFNDYMGLTYYDL-UHFFFAOYSA-N 2 2 532.000 5.527 1 10 KKCFLP c1ccc2c(c1)S/C1=C\C=C\c3sc4ccccc4[n+]3CCCCN3c4ccccc4S/C3=C\C=C\c3sc4ccccc4[n+]3CCCCN21 ZINC000072134008 562727107 /nfs/dbraw/zinc/72/71/07/562727107.db2.gz JYQGMRAJVSAKLX-UHFFFAOYSA-N 2 2 727.062 10.899 1 10 KKCFLP Nc1[nH+]cc(-c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)cc1OCc1c(F)ccc(F)c1Cl ZINC000072182637 562732844 /nfs/dbraw/zinc/73/28/44/562732844.db2.gz MRXRQVJWPLAKHY-OAQYLSRUSA-N 2 2 527.015 5.542 1 10 KKCFLP Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4[nH+]c4c(C(=O)NCC[NH+](C)C)ccc(Cl)c34)cc2)no1 ZINC000073258357 562737099 /nfs/dbraw/zinc/73/70/99/562737099.db2.gz GZGVCWYDKIBYBG-UHFFFAOYSA-N 2 2 579.082 5.174 1 10 KKCFLP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@H]6C[C@]7(CC)C=CC[N@@H+]8CCc9c%10ccccc%10n6c9[C@@H]87)c(O)cc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000103240073 562819345 /nfs/dbraw/zinc/81/93/45/562819345.db2.gz XHINMKYMJPJTSG-DOOJHXRUSA-N 2 2 628.817 6.740 1 10 KKCFLP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@H]6C[C@]7(CC)C=CC[N@H+]8CCc9c%10ccccc%10n6c9[C@@H]87)c(O)cc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000103240073 562819346 /nfs/dbraw/zinc/81/93/46/562819346.db2.gz XHINMKYMJPJTSG-DOOJHXRUSA-N 2 2 628.817 6.740 1 10 KKCFLP CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@H]6C[C@]7(CC)C=CC[NH+]8CCc9c%10ccccc%10n6c9[C@@H]87)c(O)cc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000103240073 562819347 /nfs/dbraw/zinc/81/93/47/562819347.db2.gz XHINMKYMJPJTSG-DOOJHXRUSA-N 2 2 628.817 6.740 1 10 KKCFLP CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc([C@H]6C[C@]7(CC)C=CC[NH+]8CCc9c%10ccccc%10n6c9[C@@H]87)c(O)cc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000103240073 562819348 /nfs/dbraw/zinc/81/93/48/562819348.db2.gz XHINMKYMJPJTSG-DOOJHXRUSA-N 2 2 628.817 6.740 1 10 KKCFLP CC[NH+](CC)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)cc(-c2ccc(Cl)c(Cl)c2)c1O ZINC000028008024 561896022 /nfs/dbraw/zinc/89/60/22/561896022.db2.gz BLFKGJJQUFPPRF-UHFFFAOYSA-N 2 2 500.857 8.153 1 10 KKCFLP CC[NH+](CC)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)cc(-c2c(F)c(F)c(F)c(F)c2F)c1O ZINC000028091583 561899901 /nfs/dbraw/zinc/89/99/01/561899901.db2.gz NNGBKNMEAULVEJ-UHFFFAOYSA-N 2 2 521.917 7.542 1 10 KKCFLP CC[N@H+](CCNC(=S)Nc1ccccc1)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1O ZINC000045287427 562660257 /nfs/dbraw/zinc/66/02/57/562660257.db2.gz RLLMVIXWAAPCMT-UHFFFAOYSA-N 2 2 506.075 6.146 1 10 KKCFLP CC[N@@H+](CCNC(=S)Nc1ccccc1)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1O ZINC000045287427 562660258 /nfs/dbraw/zinc/66/02/58/562660258.db2.gz RLLMVIXWAAPCMT-UHFFFAOYSA-N 2 2 506.075 6.146 1 10 KKCFLP CC(C)[NH+](CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CC[NH2+]C[C@H](O)c3ccc(O)c(O)c3)cc2)ccc1O)C(C)C ZINC000072134009 562727094 /nfs/dbraw/zinc/72/70/94/562727094.db2.gz DORKQDJVMZQKPG-ABJZOGFOSA-N 2 2 654.892 7.712 1 10 KKCFLP CC[NH+](CC)CCNc1ccc(NCCC[NH+](C)CCCNc2ccc(NCC[NH+](CC)CC)c3c2C(=O)c2cnccc2C3=O)c2c1C(=O)c1ccncc1C2=O ZINC000095608129 562783386 /nfs/dbraw/zinc/78/33/86/562783386.db2.gz JCMJWLUGGQMAOP-UHFFFAOYSA-N 3 2 788.010 5.771 1 10 KKCFLP COc1cc(NS(=O)(=O)CCCS(=O)(=O)Nc2ccc(Nc3c4ccccc4[nH+]c4c3OC=CC4)c(OC)c2)ccc1Nc1c2ccccc2[nH+]c2ccccc21 ZINC000169331256 562858922 /nfs/dbraw/zinc/85/89/22/562858922.db2.gz RKSPNXVYDXLYES-UHFFFAOYSA-N 2 2 802.935 8.463 1 10 KKCFLP [NH3+]CCCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3cc([N+](=O)[O-])ccc32)cc1 ZINC000026836047 561824394 /nfs/dbraw/zinc/82/43/94/561824394.db2.gz CZDXKUBSCMITLT-UHFFFAOYSA-N 2 2 507.616 5.691 1 10 KKCFLP C[NH+](C)c1ccc(Nc2c3ccc(NC(=O)CCCC[NH+]4CCCC4)cc3[nH+]c3cc(NC(=O)CCCC[NH+]4CCCC4)ccc32)cc1 ZINC000028568108 561937092 /nfs/dbraw/zinc/93/70/92/561937092.db2.gz JANBDPPHVAVVMX-UHFFFAOYSA-N 4 2 649.884 7.607 1 10 KKCFLP Fc1ccc(Cn2c3ccccc3[nH+]c2NC2CC[NH+](CCC=C3c4ccccc4CCc4ccccc43)CC2)cc1 ZINC000029560341 562032973 /nfs/dbraw/zinc/03/29/73/562032973.db2.gz JSCLJZVGHCMTPS-UHFFFAOYSA-N 2 2 556.729 7.721 1 10 KKCFLP Nc1[nH+]cc(-c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)cc1OCc1c(Cl)cccc1Cl ZINC000038751047 562072321 /nfs/dbraw/zinc/07/23/21/562072321.db2.gz STWHREOANIRLRZ-JOCHJYFZSA-N 2 2 525.480 5.917 1 10 KKCFLP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN3CC[NH+](CCCN4c5ccccc5Sc5ccccc54)CC3)c2c1 ZINC000043532620 562649382 /nfs/dbraw/zinc/64/93/82/562649382.db2.gz QVBRWJNQQGZYOX-UHFFFAOYSA-N 2 2 624.254 8.163 1 10 KKCFLP COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(Nc4nc(Nc5ccc(F)cc5)nc(N5CC[NH+](C)CC5)n4)cc3)c2c1 ZINC000049777407 562679978 /nfs/dbraw/zinc/67/99/78/562679978.db2.gz NTQJIBKRVBWLSC-UHFFFAOYSA-N 2 2 636.135 7.357 1 10 KKCFLP C[NH+](CCCNc1ccc(NCC[NH+]2CCCC2)c2c1C(=O)c1cnccc1C2=O)CCCNc1ccc(NCC[NH+]2CCCC2)c2c1C(=O)c1cnccc1C2=O ZINC000095607831 562783187 /nfs/dbraw/zinc/78/31/87/562783187.db2.gz CFSJRCCPQWMYQJ-UHFFFAOYSA-N 3 2 783.978 5.279 1 10 KKCFLP CN(CCCNc1ccc(NCC[NH+]2CCCC2)c2c1C(=O)c1cnccc1C2=O)CCCNc1ccc(NCC[NH+]2CCCC2)c2c1C(=O)c1cnccc1C2=O ZINC000095607831 562783188 /nfs/dbraw/zinc/78/31/88/562783188.db2.gz CFSJRCCPQWMYQJ-UHFFFAOYSA-N 2 2 783.978 5.279 1 10 KKCFLP C[NH+](C)c1ccc(Nc2c3ccc(NC(=O)CC[NH+]4CCCC4)cc3[nH+]c3ccc(NC(=O)CC[NH+]4CCCC4)cc32)cc1 ZINC000027518281 561862151 /nfs/dbraw/zinc/86/21/51/561862151.db2.gz IRDQGCHNDFZCAF-UHFFFAOYSA-N 4 2 593.776 6.046 1 10 KKCFLP Cc1cc(=[NH+]CC[NH+]=c2cc(C)c3c(o2)C(=NNc2cccc4ccccc42)C(=O)C=C3)oc2c1C=CC(=O)C2=NNc1cccc2ccccc21 ZINC000098083218 562805389 /nfs/dbraw/zinc/80/53/89/562805389.db2.gz SLERZUZWNCZJNQ-FURGGVFOSA-N 2 2 684.756 10.846 1 10 KKCFLP O=[N+]([O-])c1ccc2c(c1)[nH+]c1ccccc1c2NCCCCCCCCNc1c2ccccc2[nH+]c2cc([N+](=O)[O-])ccc21 ZINC000005439263 561695884 /nfs/dbraw/zinc/69/58/84/561695884.db2.gz JHKKUZHIOIWYMN-UHFFFAOYSA-N 2 2 588.668 8.770 1 10 KKCFLP CCN(CC)c1ccc(C[NH+]2CCN(Cc3cc(NC(=O)C[NH+]4CCCCC4)cc(Nc4cc[nH+]c5cc(Cl)ccc45)c3)CC2)cc1 ZINC000026720563 561815101 /nfs/dbraw/zinc/81/51/01/561815101.db2.gz UKXPLYQFWQBJMM-UHFFFAOYSA-N 3 2 654.303 7.220 1 10 KKCFLP CCN(CC)c1ccc(C[NH+]2CCN(Cc3cc(NC(=O)C[NH+]4CCCCC4)cc(Nc4ccnc5cc(Cl)ccc54)c3)CC2)cc1 ZINC000026720563 561815103 /nfs/dbraw/zinc/81/51/03/561815103.db2.gz UKXPLYQFWQBJMM-UHFFFAOYSA-N 2 2 654.303 7.220 1 10 KKCFLP COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(Nc4nc(NCCC[NH+]5CCOCC5)nc(Nc5ccc(F)cc5)n4)cc3)c2c1 ZINC000049774808 562678751 /nfs/dbraw/zinc/67/87/51/562678751.db2.gz OTHKUQCUBYEVNA-UHFFFAOYSA-N 2 2 680.188 7.739 1 10 KKCFLP Nc1[nH+]cc(-c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)cc1OCc1c(F)cccc1Cl ZINC000072182761 562732833 /nfs/dbraw/zinc/73/28/33/562732833.db2.gz LDEBBWLEDFNOEV-JOCHJYFZSA-N 2 2 509.025 5.403 1 10 KKCFLP Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4[nH+]c4c(C(=O)NCC[NH+](C)C)ccc(Cl)c34)cc2)n1 ZINC000073333350 562738173 /nfs/dbraw/zinc/73/81/73/562738173.db2.gz ZPXXUTUFRQQFJK-UHFFFAOYSA-N 2 2 604.136 5.284 1 10 KKCFLP C[NH+]1CCN(C(=O)CCCCC(=O)Nc2ccc(Nc3c4ccc(NC(=O)CC[NH+]5CCCC5)cc4[nH+]c4cc(NC(=O)CC[NH+]5CCCC5)ccc43)cc2)CC1 ZINC000095606550 562782163 /nfs/dbraw/zinc/78/21/63/562782163.db2.gz KMACCIHWEXFGFT-UHFFFAOYSA-N 4 2 775.999 6.253 1 10 KKCFLP COc1cc(-c2c3c(c(=O)oc4c3cc(OC)c(O)c4C[NH+](C)C)n3ccc4c(cc(OC)c(O)c4C[NH+](C)C)c23)ccc1O ZINC000299827697 562884210 /nfs/dbraw/zinc/88/42/10/562884210.db2.gz QOKNZMXKMGVOQY-UHFFFAOYSA-N 2 2 613.667 5.285 1 10 KKCFLP COc1ccc2c(c1)c1c(n2CCCCCCCCCn2c3ccc(OC)cc3c3c2CC[N@@H+](C)C3)CC[NH+](C)C1 ZINC000474606970 562905341 /nfs/dbraw/zinc/90/53/41/562905341.db2.gz IFDUUTRILGIIKH-UHFFFAOYSA-N 2 2 556.795 7.020 1 10 KKCFLP COc1ccc2c(c1)c1c(n2CCCCCCCCCn2c3ccc(OC)cc3c3c2CC[N@H+](C)C3)CC[NH+](C)C1 ZINC000474606970 562905342 /nfs/dbraw/zinc/90/53/42/562905342.db2.gz IFDUUTRILGIIKH-UHFFFAOYSA-N 2 2 556.795 7.020 1 10 KKCFLP O=[N+]([O-])c1ccc2c(c1)[nH+]c1ccccc1c2NCCCCCCNc1c2ccccc2[nH+]c2cc([N+](=O)[O-])ccc21 ZINC000005439260 561695927 /nfs/dbraw/zinc/69/59/27/561695927.db2.gz XYHMCYAVOJFGKK-UHFFFAOYSA-N 2 2 560.614 7.990 1 10 KKCFLP C[NH+](C)c1ccc(Nc2c3ccc(NC(=O)CCC[NH+]4CCCC4)cc3[nH+]c3cc(NC(=O)CCC[NH+]4CCCC4)ccc32)cc1 ZINC000028567775 561936895 /nfs/dbraw/zinc/93/68/95/561936895.db2.gz XWLUQMHOSNAPOE-UHFFFAOYSA-N 4 2 621.830 6.827 1 10 KKCFLP COc1cc2cc[nH+]c3c2cc1Oc1cc(ccc1O)C[C@H]1c2c(cc(OC)c(c2O)OCc2ccc(cc2)C3)CC[N@H+]1C ZINC000042806405 562089526 /nfs/dbraw/zinc/08/95/26/562089526.db2.gz JDQUPOMQSBZZHW-NDEPHWFRSA-N 2 2 590.676 6.710 1 10 KKCFLP COc1cc2cc[nH+]c3c2cc1Oc1cc(ccc1O)C[C@H]1c2c(cc(OC)c(c2O)OCc2ccc(cc2)C3)CC[N@@H+]1C ZINC000042806405 562089529 /nfs/dbraw/zinc/08/95/29/562089529.db2.gz JDQUPOMQSBZZHW-NDEPHWFRSA-N 2 2 590.676 6.710 1 10 KKCFLP Nc1[nH+]cc(-c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)cc1OCc1ccc(Cl)cc1Cl ZINC000072183048 562732881 /nfs/dbraw/zinc/73/28/81/562732881.db2.gz JMBWJOYTUHXLOP-XMMPIXPASA-N 2 2 525.480 5.917 1 10 KKCFLP C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@](C)([NH+](C)C)[C@H](OC(C)=O)[C@H](C)O2)cc([C@@H]2C[C@H]([NH+](C)C)[C@H](O)[C@H](C)O2)c1C3=O ZINC000082181683 562741858 /nfs/dbraw/zinc/74/18/58/562741858.db2.gz FGTVZROOHPSJNZ-IUQSFLKMSA-N 2 2 730.855 5.249 1 10 in-vitro KKCFLP CCC[NH+](CCC)Cc1c(O)c(OC)cc2c3c(-c4ccc(O)c(OC)c4)c4c5cc(OC)c(O)c(C[NH+](C)C)c5ccn4c3c(=O)oc21 ZINC000299828763 562884575 /nfs/dbraw/zinc/88/45/75/562884575.db2.gz WKNTYGIRTMAQNW-UHFFFAOYSA-N 2 2 669.775 6.845 1 10 KKCFLP C[NH+](C)c1ccc(Nc2c3ccc(NC(=O)CCCCC[NH+]4CCCC4)cc3[nH+]c3cc(NC(=O)CCCCC[NH+]4CCCC4)ccc32)cc1 ZINC000028568222 561937221 /nfs/dbraw/zinc/93/72/21/561937221.db2.gz UVWHCKREVBVRRG-UHFFFAOYSA-N 4 2 677.938 8.387 1 10 KKCFLP COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(Nc4nc(NCC[NH+]5CCOCC5)nc(Nc5ccc(F)cc5)n4)cc3)c2c1 ZINC000049836561 562687942 /nfs/dbraw/zinc/68/79/42/562687942.db2.gz JTYRQTLXVCTQBZ-UHFFFAOYSA-N 2 2 666.161 7.349 1 10 KKCFLP C/C=C\[C@H]1O[C@@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@](C)([NH+](C)C)[C@@H](OC(C)=O)[C@@H](C)O2)cc([C@@H]2C[C@H]([NH+](C)C)[C@@H](O)[C@@H](C)O2)c1C3=O ZINC000095543517 562757330 /nfs/dbraw/zinc/75/73/30/562757330.db2.gz BQCHGWYGWQEMTJ-JKJJOGQOSA-N 2 2 772.892 5.015 1 10 KKCFLP C/C=C\[C@H]1O[C@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@](C)([NH+](C)C)[C@@H](OC(C)=O)[C@@H](C)O2)cc([C@@H]2C[C@H]([NH+](C)C)[C@@H](O)[C@@H](C)O2)c1C3=O ZINC000095543515 562757332 /nfs/dbraw/zinc/75/73/32/562757332.db2.gz BQCHGWYGWQEMTJ-HDFQTHIKSA-N 2 2 772.892 5.015 1 10 KKCFLP C/C=C\[C@@H]1O[C@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@](C)([NH+](C)C)[C@@H](OC(C)=O)[C@@H](C)O2)cc([C@@H]2C[C@H]([NH+](C)C)[C@@H](O)[C@@H](C)O2)c1C3=O ZINC000095543516 562757348 /nfs/dbraw/zinc/75/73/48/562757348.db2.gz BQCHGWYGWQEMTJ-KGQOJWLRSA-N 2 2 772.892 5.015 1 10 KKCFLP C[NH+]1CCC2(CC1)c1ccc(-c3c[nH+]c(N)c(OCc4c(Cl)ccc(F)c4Cl)c3)cc1NC2=O ZINC000103243205 562819661 /nfs/dbraw/zinc/81/96/61/562819661.db2.gz DXQPHTVBISVXGR-UHFFFAOYSA-N 2 2 501.389 5.271 1 10 KKCFLP O=C(CC[NH+]1CCCC1)Nc1ccc2c(c1)[nH+]c1cc(NC(=O)CC[NH+]3CCCC3)ccc1c2Nc1ccc(NC(=O)C[NH+]2CCCC2)cc1 ZINC000028567661 561936811 /nfs/dbraw/zinc/93/68/11/561936811.db2.gz SZQZXPJGMMBMEF-UHFFFAOYSA-N 4 2 676.866 6.015 1 10 KKCFLP COC(=O)[C@@H]([NH2+]Cc1cc2ccccc2c(-c2c(O)c(C[NH2+][C@H](C(=O)OC)C(C)C)cc3ccccc32)c1O)C(C)C ZINC000028861956 561971811 /nfs/dbraw/zinc/97/18/11/561971811.db2.gz HOTJVCIZZQAYQZ-KYJUHHDHSA-N 2 2 572.702 5.646 1 10 KKCFLP CN(C)c1ccc(C[NH2+]CCCC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000043203586 562646973 /nfs/dbraw/zinc/64/69/73/562646973.db2.gz HOMSTFANHVANNJ-SSEXGKCCSA-N 2 2 505.106 5.210 1 10 KKCFLP CC(C)(C)[NH2+]Cc1c(O)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c(C[NH2+]C(C)(C)C)c1-c1ccc(C(F)(F)F)cc1 ZINC000043552509 562649609 /nfs/dbraw/zinc/64/96/09/562649609.db2.gz XEFQAYVEJPBWOO-UHFFFAOYSA-N 3 2 585.114 8.799 1 10 KKCFLP c1ccc2c(c1)[nH+]c1ccccc1c2NCCCN1CC[NH+](CCCN2c3ccccc3Sc3ccccc32)CC1 ZINC000044053493 562652015 /nfs/dbraw/zinc/65/20/15/562652015.db2.gz ZIQWDOJJNJTKMF-UHFFFAOYSA-N 2 2 559.783 7.501 1 10 KKCFLP COc1ccc2cc1Oc1cc3c(cc1OC)CC[NH+]=C3Cc1ccc(cc1)COc1c(O)c3c(cc1OC)CC[N@@H+](C)[C@H]3C2 ZINC000044281145 562653056 /nfs/dbraw/zinc/65/30/56/562653056.db2.gz CTTKZVMGWIDGEO-LJAQVGFWSA-N 2 2 606.719 6.462 1 10 KKCFLP COc1ccc2cc1Oc1cc3c(cc1OC)CC[NH+]=C3Cc1ccc(cc1)COc1c(O)c3c(cc1OC)CC[N@H+](C)[C@H]3C2 ZINC000044281145 562653057 /nfs/dbraw/zinc/65/30/57/562653057.db2.gz CTTKZVMGWIDGEO-LJAQVGFWSA-N 2 2 606.719 6.462 1 10 KKCFLP CC[NH+](CC)CCNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3cccc(I)c3[nH+]c12 ZINC000049841575 562688499 /nfs/dbraw/zinc/68/84/99/562688499.db2.gz ASROKJLFHNTMAO-UHFFFAOYSA-N 2 2 661.566 5.188 1 10 KKCFLP CC[N@H+](CCCC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1O ZINC000071341818 562720059 /nfs/dbraw/zinc/72/00/59/562720059.db2.gz CXCPYOFEHPZVGC-HXUWFJFHSA-N 2 2 533.969 5.115 1 10 KKCFLP CC[N@@H+](CCCC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1O ZINC000071341818 562720060 /nfs/dbraw/zinc/72/00/60/562720060.db2.gz CXCPYOFEHPZVGC-HXUWFJFHSA-N 2 2 533.969 5.115 1 10 KKCFLP Oc1cc(F)c(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000096903334 562797912 /nfs/dbraw/zinc/79/79/12/562797912.db2.gz MRQKYKRXBVKEBG-UHFFFAOYSA-N 2 2 529.487 5.483 1 10 KKCFLP Cc1ccc(C2(O)CC[NH+](Cc3cc(C[NH+]4CCC(O)(c5ccc(C)cc5)CC4)c(F)cc3O)CC2)cc1 ZINC000027850235 561885931 /nfs/dbraw/zinc/88/59/31/561885931.db2.gz ICKVAZAALVVVGV-UHFFFAOYSA-N 2 2 518.673 5.115 1 10 KKCFLP CC(C)(C)[NH2+]Cc1c(O)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c(C[NH2+]C(C)(C)C)c1-c1ccc(Cl)cc1 ZINC000044265381 562652808 /nfs/dbraw/zinc/65/28/08/562652808.db2.gz JUUFKFAPSBOAHD-UHFFFAOYSA-N 3 2 551.562 8.434 1 10 KKCFLP COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(Nc4nc(NCC[NH+]5CCOCC5)nc(Nc5ccccc5)n4)cc3)c2c1 ZINC000049780247 562681547 /nfs/dbraw/zinc/68/15/47/562681547.db2.gz NEXPUKDWQHQDNH-UHFFFAOYSA-N 2 2 648.171 7.210 1 10 KKCFLP CC[NH+](CC)CCNC(=O)c1cc(I)cc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3[nH+]c12 ZINC000049844757 562688585 /nfs/dbraw/zinc/68/85/85/562688585.db2.gz BLZCUBCPELDOJA-UHFFFAOYSA-N 2 2 661.566 5.188 1 10 KKCFLP COc1ccc2cc1Oc1cc3c(cc[nH+]c3Cc3ccc(cc3)COc3c(O)c4c(cc3OC)CC[N@@H+](C)[C@H]4C2)cc1OC ZINC000049877638 562690224 /nfs/dbraw/zinc/69/02/24/562690224.db2.gz CDOJYPOTMCBEQY-LJAQVGFWSA-N 2 2 604.703 7.013 1 10 KKCFLP COc1ccc2cc1Oc1cc3c(cc[nH+]c3Cc3ccc(cc3)COc3c(O)c4c(cc3OC)CC[N@H+](C)[C@H]4C2)cc1OC ZINC000049877638 562690225 /nfs/dbraw/zinc/69/02/25/562690225.db2.gz CDOJYPOTMCBEQY-LJAQVGFWSA-N 2 2 604.703 7.013 1 10 KKCFLP C=Cc1c[n+]2c(c([O-])c1C[C@H]1c3[nH]c4ccccc4c3CC[NH+]1C)-c1[nH]c3c(ccc(O)c3[C@H]3CCC[N@H+]3C)c1CC2 ZINC000102129877 562812685 /nfs/dbraw/zinc/81/26/85/562812685.db2.gz OHCOERJBPMQGOK-IZLXSDGUSA-O 2 2 560.722 5.752 1 10 KKCFLP C=Cc1c[n+]2c(c([O-])c1C[C@H]1c3[nH]c4ccccc4c3CC[NH+]1C)-c1[nH]c3c(ccc(O)c3[C@H]3CCC[N@@H+]3C)c1CC2 ZINC000102129877 562812686 /nfs/dbraw/zinc/81/26/86/562812686.db2.gz OHCOERJBPMQGOK-IZLXSDGUSA-O 2 2 560.722 5.752 1 10 KKCFLP C=Cc1c[n+]2c(c([O-])c1C[C@H]1c3[nH]c4ccccc4c3CC[N@H+]1C)-c1[nH]c3c(ccc(O)c3[C@H]3CCC[NH+]3C)c1CC2 ZINC000102129877 562812687 /nfs/dbraw/zinc/81/26/87/562812687.db2.gz OHCOERJBPMQGOK-IZLXSDGUSA-O 2 2 560.722 5.752 1 10 KKCFLP C=Cc1c[n+]2c(c([O-])c1C[C@H]1c3[nH]c4ccccc4c3CC[N@@H+]1C)-c1[nH]c3c(ccc(O)c3[C@H]3CCC[NH+]3C)c1CC2 ZINC000102129877 562812688 /nfs/dbraw/zinc/81/26/88/562812688.db2.gz OHCOERJBPMQGOK-IZLXSDGUSA-O 2 2 560.722 5.752 1 10 KKCFLP Oc1cc(F)c(C[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)cc1C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000027872695 561888376 /nfs/dbraw/zinc/88/83/76/561888376.db2.gz ZPCXTAVPEOSBHT-UHFFFAOYSA-N 2 2 559.509 5.805 1 10 KKCFLP CCCC[NH+](CCCC)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)cc(-c2ccc(Cl)cc2)c1O ZINC000028008702 561896131 /nfs/dbraw/zinc/89/61/31/561896131.db2.gz WHRCBDGDHAZWGM-UHFFFAOYSA-N 2 2 522.520 9.060 1 10 KKCFLP Cc1cc(-c2c(F)cc3c(c2F)n(C2CC2)ccc3=[NH+]Nc2c3ccccc3[nH+]c3ccccc32)cc(C)n1 ZINC000028103883 561902013 /nfs/dbraw/zinc/90/20/13/561902013.db2.gz HORIMFDWDSQINW-PNFNHJRFSA-N 2 2 517.583 7.562 1 10 KKCFLP Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccc(Cl)cc4[nH+]c4c(C(=O)NCC[NH+](C)C)cccc34)cc2)n1 ZINC000073241238 562736932 /nfs/dbraw/zinc/73/69/32/562736932.db2.gz ZCFBPOGNDPZKBT-UHFFFAOYSA-N 2 2 604.136 5.284 1 10 KKCFLP C/C=C\[C@@H]1O[C@@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@](C)([NH+](C)C)[C@@H](OC(C)=O)[C@@H](C)O2)cc([C@@H]2C[C@H]([NH+](C)C)[C@@H](O)[C@@H](C)O2)c1C3=O ZINC000095543518 562757305 /nfs/dbraw/zinc/75/73/05/562757305.db2.gz BQCHGWYGWQEMTJ-OSRQOXHGSA-N 2 2 772.892 5.015 1 10 KKCFLP C[NH+]1CCC2(CC1)c1cc(-c3c[nH+]c(N)c(OCc4c(Cl)ccc(F)c4Cl)c3)ccc1NC2=O ZINC000103243207 562819664 /nfs/dbraw/zinc/81/96/64/562819664.db2.gz BHAPGOUPQLWNMP-UHFFFAOYSA-N 2 2 501.389 5.271 1 10 KKCFLP