smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164413958 718881013 /nfs/dbraw/zinc/88/10/13/718881013.db2.gz PARYJUZOBNCTQH-IBGZPJMESA-N 2 1 493.643 5.209 20 0 JKADMP CC(C)[N@H+](C)Cc1nn(-c2nnc(-c3ccc(Cl)c(Cl)c3)c3ccccc32)c2c1CC[NH2+]C2 ZINC001164679419 719646011 /nfs/dbraw/zinc/64/60/11/719646011.db2.gz AALJBQTXKFLHOZ-UHFFFAOYSA-N 2 1 481.431 5.275 20 0 JKADMP CC(C)[N@@H+](C)Cc1nn(-c2nnc(-c3ccc(Cl)c(Cl)c3)c3ccccc32)c2c1CC[NH2+]C2 ZINC001164679419 719646015 /nfs/dbraw/zinc/64/60/15/719646015.db2.gz AALJBQTXKFLHOZ-UHFFFAOYSA-N 2 1 481.431 5.275 20 0 JKADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)c2c1CC[NH2+]C2 ZINC001164681443 719654278 /nfs/dbraw/zinc/65/42/78/719654278.db2.gz PBONLUPHSPBKGS-UHFFFAOYSA-N 2 1 451.993 5.063 20 0 JKADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)c2c1CC[NH2+]C2 ZINC001164681443 719654287 /nfs/dbraw/zinc/65/42/87/719654287.db2.gz PBONLUPHSPBKGS-UHFFFAOYSA-N 2 1 451.993 5.063 20 0 JKADMP c1csc(C[N@H+]2CCOC3(CCN(c4[nH+]ccc5c4ccn5Cc4ccccc4)CC3)C2)c1 ZINC001164696667 719894603 /nfs/dbraw/zinc/89/46/03/719894603.db2.gz GVOBUPYNPAELHY-UHFFFAOYSA-N 2 1 458.631 5.018 20 0 JKADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)CC2 ZINC001164844851 720696721 /nfs/dbraw/zinc/69/67/21/720696721.db2.gz VQPZQKFAAZSTAY-AREMUKBSSA-N 2 1 466.629 5.345 20 0 JKADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H]([NH+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839353 720724385 /nfs/dbraw/zinc/72/43/85/720724385.db2.gz LKMMSHRLXZJSBH-SVBPBHIXSA-N 2 1 462.682 5.279 20 0 JKADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839353 720724390 /nfs/dbraw/zinc/72/43/90/720724390.db2.gz LKMMSHRLXZJSBH-SVBPBHIXSA-N 2 1 462.682 5.279 20 0 JKADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839353 720724396 /nfs/dbraw/zinc/72/43/96/720724396.db2.gz LKMMSHRLXZJSBH-SVBPBHIXSA-N 2 1 462.682 5.279 20 0 JKADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H]([NH+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839354 720724472 /nfs/dbraw/zinc/72/44/72/720724472.db2.gz LKMMSHRLXZJSBH-SXOMAYOGSA-N 2 1 462.682 5.279 20 0 JKADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839354 720724487 /nfs/dbraw/zinc/72/44/87/720724487.db2.gz LKMMSHRLXZJSBH-SXOMAYOGSA-N 2 1 462.682 5.279 20 0 JKADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839354 720724497 /nfs/dbraw/zinc/72/44/97/720724497.db2.gz LKMMSHRLXZJSBH-SXOMAYOGSA-N 2 1 462.682 5.279 20 0 JKADMP Cc1cccc(N(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164777016 721329593 /nfs/dbraw/zinc/32/95/93/721329593.db2.gz KERSIOAPEHKCQG-RNWIMVQKSA-N 2 1 499.684 5.387 20 0 JKADMP Cc1cccc(N(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164777014 721329653 /nfs/dbraw/zinc/32/96/53/721329653.db2.gz KERSIOAPEHKCQG-IADCTJSHSA-N 2 1 499.684 5.387 20 0 JKADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)nc1 ZINC001164912940 721734227 /nfs/dbraw/zinc/73/42/27/721734227.db2.gz RIPPJQGXFLJXNJ-AHWVRZQESA-N 2 1 469.624 5.151 20 0 JKADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164912940 721734236 /nfs/dbraw/zinc/73/42/36/721734236.db2.gz RIPPJQGXFLJXNJ-AHWVRZQESA-N 2 1 469.624 5.151 20 0 JKADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164912940 721734243 /nfs/dbraw/zinc/73/42/43/721734243.db2.gz RIPPJQGXFLJXNJ-AHWVRZQESA-N 2 1 469.624 5.151 20 0 JKADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)nc1 ZINC001164912941 721734662 /nfs/dbraw/zinc/73/46/62/721734662.db2.gz RIPPJQGXFLJXNJ-AOYPEHQESA-N 2 1 469.624 5.151 20 0 JKADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164912941 721734666 /nfs/dbraw/zinc/73/46/66/721734666.db2.gz RIPPJQGXFLJXNJ-AOYPEHQESA-N 2 1 469.624 5.151 20 0 JKADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164912941 721734675 /nfs/dbraw/zinc/73/46/75/721734675.db2.gz RIPPJQGXFLJXNJ-AOYPEHQESA-N 2 1 469.624 5.151 20 0 JKADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165025708 721823951 /nfs/dbraw/zinc/82/39/51/721823951.db2.gz NNZREDYESXJCMK-OEMFJLHTSA-N 2 1 492.737 5.282 20 0 JKADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165025708 721823952 /nfs/dbraw/zinc/82/39/52/721823952.db2.gz NNZREDYESXJCMK-OEMFJLHTSA-N 2 1 492.737 5.282 20 0 JKADMP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN(Cc3cccnc3)c3[nH+]c(C)ccc3C2)nc1 ZINC001164949856 722006632 /nfs/dbraw/zinc/00/66/32/722006632.db2.gz ALDNIDLRQMRSFU-AREMUKBSSA-N 2 1 456.638 5.144 20 0 JKADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCN(Cc3cccnc3)c3[nH+]c(C)ccc3C2)nc1 ZINC001164949856 722006635 /nfs/dbraw/zinc/00/66/35/722006635.db2.gz ALDNIDLRQMRSFU-AREMUKBSSA-N 2 1 456.638 5.144 20 0 JKADMP c1sc2nc(C[NH+]3CCCCC3)nc(N3CCCCC34CC[NH2+]CC4)c2c1-c1ccccc1 ZINC001164421039 718911366 /nfs/dbraw/zinc/91/13/66/718911366.db2.gz OAPASPQDFDQSNY-UHFFFAOYSA-N 2 1 461.679 5.457 20 0 JKADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)n1 ZINC001164625947 719048927 /nfs/dbraw/zinc/04/89/27/719048927.db2.gz PYWOYDVSVSPCPV-QDPGVEIFSA-N 2 1 469.658 5.003 20 0 JKADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)n2)CC1 ZINC001164619183 719122347 /nfs/dbraw/zinc/12/23/47/719122347.db2.gz CSUCGYFTNMLZCP-HKUYNNGSSA-N 2 1 485.698 5.165 20 0 JKADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(c3cccc(F)c3)[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)c2c1C ZINC001164647870 719297145 /nfs/dbraw/zinc/29/71/45/719297145.db2.gz FELGQHMXIFFZAO-AJTFRIOCSA-N 2 1 495.668 5.092 20 0 JKADMP Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cnc(Cl)c(C4=CC[NH2+]CC4)c2)CC3)cs1 ZINC001164702194 719817199 /nfs/dbraw/zinc/81/71/99/719817199.db2.gz RIRIRIMBRSJZIS-UHFFFAOYSA-N 2 1 494.055 5.057 20 0 JKADMP Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cnc(Cl)c(C4=CC[NH2+]CC4)c2)CC3)cs1 ZINC001164702194 719817201 /nfs/dbraw/zinc/81/72/01/719817201.db2.gz RIRIRIMBRSJZIS-UHFFFAOYSA-N 2 1 494.055 5.057 20 0 JKADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(Cc2nn(C(C)C)c3c2CC[NH2+]C3)c2nccs2)nc1 ZINC001164711572 720091235 /nfs/dbraw/zinc/09/12/35/720091235.db2.gz QZSOJKQXUPANNN-HSZRJFAPSA-N 2 1 479.698 5.237 20 0 JKADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164796400 721500035 /nfs/dbraw/zinc/50/00/35/721500035.db2.gz URTGEAJNHJAPOL-UHFFFAOYSA-N 2 1 492.737 5.426 20 0 JKADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164796400 721500039 /nfs/dbraw/zinc/50/00/39/721500039.db2.gz URTGEAJNHJAPOL-UHFFFAOYSA-N 2 1 492.737 5.426 20 0 JKADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1[nH+]c(N3CCCC3)cc3ccccc31)C2 ZINC001164910455 721761518 /nfs/dbraw/zinc/76/15/18/721761518.db2.gz GCHPRBLNWNSYGN-UHFFFAOYSA-N 2 1 453.590 5.018 20 0 JKADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1[nH+]c(N3CCCC3)cc3ccccc31)C2 ZINC001164910455 721761522 /nfs/dbraw/zinc/76/15/22/721761522.db2.gz GCHPRBLNWNSYGN-UHFFFAOYSA-N 2 1 453.590 5.018 20 0 JKADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1C ZINC001165025184 721823971 /nfs/dbraw/zinc/82/39/71/721823971.db2.gz MCHIYEZXRJEHPO-QTJGBDASSA-N 2 1 490.721 5.036 20 0 JKADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1C ZINC001165025184 721823973 /nfs/dbraw/zinc/82/39/73/721823973.db2.gz MCHIYEZXRJEHPO-QTJGBDASSA-N 2 1 490.721 5.036 20 0 JKADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955873 722021768 /nfs/dbraw/zinc/02/17/68/722021768.db2.gz QHQCPPSYKDEGRB-UHFFFAOYSA-N 2 1 478.710 5.037 20 0 JKADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955873 722021771 /nfs/dbraw/zinc/02/17/71/722021771.db2.gz QHQCPPSYKDEGRB-UHFFFAOYSA-N 2 1 478.710 5.037 20 0 JKADMP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2cnc(Cl)c(C4=CC[NH2+]CC4)c2)C3)c1 ZINC001164997868 722213711 /nfs/dbraw/zinc/21/37/11/722213711.db2.gz SQHAKOPFHZGFHJ-DEOSSOPVSA-N 2 1 476.974 5.041 20 0 JKADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2cnc(Cl)c(C4=CC[NH2+]CC4)c2)C3)c1 ZINC001164997868 722213713 /nfs/dbraw/zinc/21/37/13/722213713.db2.gz SQHAKOPFHZGFHJ-DEOSSOPVSA-N 2 1 476.974 5.041 20 0 JKADMP CCCCCC[NH+](C)Cc1ccc(OCCOc2ccc(C[N@H+](C)CCCCCC)cc2)cc1 ZINC000004217494 554476359 /nfs/dbraw/zinc/47/63/59/554476359.db2.gz XVGLWUPIJXJSOB-UHFFFAOYSA-N 2 1 468.726 7.169 20 0 in-man JKADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)n1 ZINC001164625942 719049085 /nfs/dbraw/zinc/04/90/85/719049085.db2.gz PYWOYDVSVSPCPV-NEKDWFFYSA-N 2 1 469.658 5.003 20 0 JKADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(c3cccc(F)c3)[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)c2c1C ZINC001164647882 719297278 /nfs/dbraw/zinc/29/72/78/719297278.db2.gz FELGQHMXIFFZAO-CUNXSJBXSA-N 2 1 495.668 5.092 20 0 JKADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N(Cc2nn(C(C)C)c3c2CC[NH2+]C3)c2nccs2)nc1 ZINC001164711577 720091487 /nfs/dbraw/zinc/09/14/87/720091487.db2.gz QZSOJKQXUPANNN-QHCPKHFHSA-N 2 1 479.698 5.237 20 0 JKADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2c1C ZINC001164795139 721499880 /nfs/dbraw/zinc/49/98/80/721499880.db2.gz DYYHXPWNKGRHJT-UHFFFAOYSA-N 2 1 490.721 5.180 20 0 JKADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2c1C ZINC001164795139 721499884 /nfs/dbraw/zinc/49/98/84/721499884.db2.gz DYYHXPWNKGRHJT-UHFFFAOYSA-N 2 1 490.721 5.180 20 0 JKADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)nc1 ZINC001164912943 721734452 /nfs/dbraw/zinc/73/44/52/721734452.db2.gz RIPPJQGXFLJXNJ-RSXGOPAZSA-N 2 1 469.624 5.151 20 0 JKADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164912943 721734453 /nfs/dbraw/zinc/73/44/53/721734453.db2.gz RIPPJQGXFLJXNJ-RSXGOPAZSA-N 2 1 469.624 5.151 20 0 JKADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164912943 721734455 /nfs/dbraw/zinc/73/44/55/721734455.db2.gz RIPPJQGXFLJXNJ-RSXGOPAZSA-N 2 1 469.624 5.151 20 0 JKADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N(c2ccc(C)cc2)c2ncnc3c2CC[NH2+]CC3)nc1 ZINC001164970510 722078631 /nfs/dbraw/zinc/07/86/31/722078631.db2.gz QCNDXDRSKIGTSC-SANMLTNESA-N 2 1 456.638 5.275 20 0 JKADMP [NH3+]C1CC2(C1)CCN(c1nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c31)CC2 ZINC001164388097 718802214 /nfs/dbraw/zinc/80/22/14/718802214.db2.gz SKUSOWPQEMRREV-UHFFFAOYSA-N 2 1 453.681 5.113 20 0 JKADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)n1 ZINC001164415042 718881473 /nfs/dbraw/zinc/88/14/73/718881473.db2.gz ZNCWKJOBHFKBCF-GOSISDBHSA-N 2 1 475.584 5.073 20 0 JKADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CCC(C4C[NH2+]C4)CC3)n2)CC1 ZINC001164616590 719037420 /nfs/dbraw/zinc/03/74/20/719037420.db2.gz XHRWNENFFRILAB-UHFFFAOYSA-N 2 1 467.708 5.088 20 0 JKADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3cccnc3)nc3sc(-c4ccccc4)cc32)c2c1CC[NH2+]C2 ZINC001164680236 719641280 /nfs/dbraw/zinc/64/12/80/719641280.db2.gz SYNBGDUDUTYSKO-UHFFFAOYSA-N 2 1 495.656 5.092 20 0 JKADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3cccnc3)nc3sc(-c4ccccc4)cc32)c2c1CC[NH2+]C2 ZINC001164680236 719641283 /nfs/dbraw/zinc/64/12/83/719641283.db2.gz SYNBGDUDUTYSKO-UHFFFAOYSA-N 2 1 495.656 5.092 20 0 JKADMP Cc1nc(C[N@H+]2CCCC23CCN(c2ccc4c(n2)CC[NH+](Cc2ccccc2)C4)CC3)cs1 ZINC001164692097 719806502 /nfs/dbraw/zinc/80/65/02/719806502.db2.gz GATCKGKQFNOXSJ-UHFFFAOYSA-N 2 1 473.690 5.040 20 0 JKADMP Cc1nc(C[NH+]2CCCC23CCN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)CC3)cs1 ZINC001164692097 719806503 /nfs/dbraw/zinc/80/65/03/719806503.db2.gz GATCKGKQFNOXSJ-UHFFFAOYSA-N 2 1 473.690 5.040 20 0 JKADMP Cc1nc(C[NH+]2CCCC23CCN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)CC3)cs1 ZINC001164692097 719806505 /nfs/dbraw/zinc/80/65/05/719806505.db2.gz GATCKGKQFNOXSJ-UHFFFAOYSA-N 2 1 473.690 5.040 20 0 JKADMP Cc1nc(C[N@H+]2CCCC23CCN(c2[nH+]ccc4c2ccn4Cc2ccccc2)CC3)cs1 ZINC001164693017 719810256 /nfs/dbraw/zinc/81/02/56/719810256.db2.gz OZHHXYPUABRNHS-UHFFFAOYSA-N 2 1 457.647 5.485 20 0 JKADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H]([NH+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839350 720723956 /nfs/dbraw/zinc/72/39/56/720723956.db2.gz LKMMSHRLXZJSBH-KAYWLYCHSA-N 2 1 462.682 5.279 20 0 JKADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839350 720723965 /nfs/dbraw/zinc/72/39/65/720723965.db2.gz LKMMSHRLXZJSBH-KAYWLYCHSA-N 2 1 462.682 5.279 20 0 JKADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839350 720723972 /nfs/dbraw/zinc/72/39/72/720723972.db2.gz LKMMSHRLXZJSBH-KAYWLYCHSA-N 2 1 462.682 5.279 20 0 JKADMP Cc1cccc(N(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164777015 721329393 /nfs/dbraw/zinc/32/93/93/721329393.db2.gz KERSIOAPEHKCQG-MUAVYFROSA-N 2 1 499.684 5.387 20 0 JKADMP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164909588 721764558 /nfs/dbraw/zinc/76/45/58/721764558.db2.gz CKMPIJJVQACNFE-MHZLTWQESA-N 2 1 459.638 5.201 20 0 JKADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164909588 721764562 /nfs/dbraw/zinc/76/45/62/721764562.db2.gz CKMPIJJVQACNFE-MHZLTWQESA-N 2 1 459.638 5.201 20 0 JKADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164909588 721764570 /nfs/dbraw/zinc/76/45/70/721764570.db2.gz CKMPIJJVQACNFE-MHZLTWQESA-N 2 1 459.638 5.201 20 0 JKADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164909588 721764575 /nfs/dbraw/zinc/76/45/75/721764575.db2.gz CKMPIJJVQACNFE-MHZLTWQESA-N 2 1 459.638 5.201 20 0 JKADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165025718 721824048 /nfs/dbraw/zinc/82/40/48/721824048.db2.gz NNZREDYESXJCMK-XWGVYQGASA-N 2 1 492.737 5.282 20 0 JKADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165025718 721824050 /nfs/dbraw/zinc/82/40/50/721824050.db2.gz NNZREDYESXJCMK-XWGVYQGASA-N 2 1 492.737 5.282 20 0 JKADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C[NH+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164943485 721933337 /nfs/dbraw/zinc/93/33/37/721933337.db2.gz PBUOZJMZDBTRSF-MHZLTWQESA-N 2 1 462.682 5.198 20 0 JKADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164943485 721933340 /nfs/dbraw/zinc/93/33/40/721933340.db2.gz PBUOZJMZDBTRSF-MHZLTWQESA-N 2 1 462.682 5.198 20 0 JKADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164943485 721933342 /nfs/dbraw/zinc/93/33/42/721933342.db2.gz PBUOZJMZDBTRSF-MHZLTWQESA-N 2 1 462.682 5.198 20 0 JKADMP C[NH+](C)CC1CCN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c32)CC1 ZINC001165045692 721949312 /nfs/dbraw/zinc/94/93/12/721949312.db2.gz VPVSLBCOLLQBPI-UHFFFAOYSA-N 2 1 455.697 5.184 20 0 JKADMP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCN(Cc3cccnc3)c3[nH+]c(C)ccc3C2)nc1 ZINC001164949864 722006599 /nfs/dbraw/zinc/00/65/99/722006599.db2.gz ALDNIDLRQMRSFU-SANMLTNESA-N 2 1 456.638 5.144 20 0 JKADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCN(Cc3cccnc3)c3[nH+]c(C)ccc3C2)nc1 ZINC001164949864 722006601 /nfs/dbraw/zinc/00/66/01/722006601.db2.gz ALDNIDLRQMRSFU-SANMLTNESA-N 2 1 456.638 5.144 20 0 JKADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1C ZINC001164955660 722021784 /nfs/dbraw/zinc/02/17/84/722021784.db2.gz MITGTBHRTYHLCD-UHFFFAOYSA-N 2 1 490.721 5.182 20 0 JKADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1C ZINC001164955660 722021786 /nfs/dbraw/zinc/02/17/86/722021786.db2.gz MITGTBHRTYHLCD-UHFFFAOYSA-N 2 1 490.721 5.182 20 0 JKADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(c3ccc(C)cc3)c3ncnc4c3CC[NH2+]CC4)c2c1C ZINC001164970785 722078655 /nfs/dbraw/zinc/07/86/55/722078655.db2.gz RRLRIAOMAZMEED-UHFFFAOYSA-N 2 1 499.688 5.160 20 0 JKADMP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2cnc(Cl)c(C4=CC[NH2+]CC4)c2)C3)c1 ZINC001164997869 722213409 /nfs/dbraw/zinc/21/34/09/722213409.db2.gz SQHAKOPFHZGFHJ-XMMPIXPASA-N 2 1 476.974 5.041 20 0 JKADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2cnc(Cl)c(C4=CC[NH2+]CC4)c2)C3)c1 ZINC001164997869 722213410 /nfs/dbraw/zinc/21/34/10/722213410.db2.gz SQHAKOPFHZGFHJ-XMMPIXPASA-N 2 1 476.974 5.041 20 0 JKADMP FC(F)(F)[C@H]1N(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)CCC12CC[NH2+]CC2 ZINC001164386942 718815503 /nfs/dbraw/zinc/81/55/03/718815503.db2.gz CCTUHDMTAMAHPI-QHCPKHFHSA-N 2 1 493.643 5.067 20 0 JKADMP c1csc(-c2csc3nc(C[NH+]4CCCCC4)nc(N4CCCCC45CC[NH2+]CC5)c23)c1 ZINC001164420206 718912061 /nfs/dbraw/zinc/91/20/61/718912061.db2.gz HMDSGXYUQYVUMS-UHFFFAOYSA-N 2 1 467.708 5.518 20 0 JKADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(c3cccc(F)c3)[C@H]3CO[C@]4(C3)CCC[NH2+]C4)c2c1C ZINC001164647877 719297132 /nfs/dbraw/zinc/29/71/32/719297132.db2.gz FELGQHMXIFFZAO-AMGIVPHBSA-N 2 1 495.668 5.092 20 0 JKADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(F)c2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC001164654648 719297392 /nfs/dbraw/zinc/29/73/92/719297392.db2.gz RMBBALVQRWFDFM-ZWEKWIFMSA-N 2 1 452.618 5.207 20 0 JKADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164691690 719813841 /nfs/dbraw/zinc/81/38/41/719813841.db2.gz JUIWGRVUJRAKIY-UHFFFAOYSA-N 2 1 498.766 5.550 20 0 JKADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164691690 719813842 /nfs/dbraw/zinc/81/38/42/719813842.db2.gz JUIWGRVUJRAKIY-UHFFFAOYSA-N 2 1 498.766 5.550 20 0 JKADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1[nH+]c(N3CCCC3)cc3ccccc31)CC2 ZINC001164842366 720717402 /nfs/dbraw/zinc/71/74/02/720717402.db2.gz YTVUBTXMUXOKGR-RUZDIDTESA-N 2 1 456.634 5.095 20 0 JKADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)C2 ZINC001164910750 721756216 /nfs/dbraw/zinc/75/62/16/721756216.db2.gz RDUDYTRFKKPTGG-UHFFFAOYSA-N 2 1 463.585 5.267 20 0 JKADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)C2 ZINC001164910750 721756219 /nfs/dbraw/zinc/75/62/19/721756219.db2.gz RDUDYTRFKKPTGG-UHFFFAOYSA-N 2 1 463.585 5.267 20 0 JKADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1C ZINC001165025168 721823830 /nfs/dbraw/zinc/82/38/30/721823830.db2.gz MCHIYEZXRJEHPO-OEMFJLHTSA-N 2 1 490.721 5.036 20 0 JKADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2c1C ZINC001165025168 721823832 /nfs/dbraw/zinc/82/38/32/721823832.db2.gz MCHIYEZXRJEHPO-OEMFJLHTSA-N 2 1 490.721 5.036 20 0 JKADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CCC4(CC([NH3+])C4)CC3)n2)CC1 ZINC001164388515 718802248 /nfs/dbraw/zinc/80/22/48/718802248.db2.gz WBAAGQJTOKYWGW-UHFFFAOYSA-N 2 1 467.708 5.359 20 0 JKADMP c1csc(-c2csc3nc(C[NH+]4CCCCC4)nc(N4CCC5(CCCC[NH2+]5)CC4)c23)c1 ZINC001164387787 718803649 /nfs/dbraw/zinc/80/36/49/718803649.db2.gz PWTAQBDOWRINPI-UHFFFAOYSA-N 2 1 467.708 5.518 20 0 JKADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(F)c2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nc1 ZINC001164654644 719297183 /nfs/dbraw/zinc/29/71/83/719297183.db2.gz RMBBALVQRWFDFM-SLQPCKNISA-N 2 1 452.618 5.207 20 0 JKADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3ccc(Cl)cc3)nc3cc(Cl)ccc32)c2c1CC[NH2+]C2 ZINC001164684797 719626919 /nfs/dbraw/zinc/62/69/19/719626919.db2.gz XTAWEZMNPDGQEN-UHFFFAOYSA-N 2 1 481.431 5.275 20 0 JKADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3ccc(Cl)cc3)nc3cc(Cl)ccc32)c2c1CC[NH2+]C2 ZINC001164684797 719626929 /nfs/dbraw/zinc/62/69/29/719626929.db2.gz XTAWEZMNPDGQEN-UHFFFAOYSA-N 2 1 481.431 5.275 20 0 JKADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c32)c2c1CC[NH2+]C2 ZINC001164679420 719638790 /nfs/dbraw/zinc/63/87/90/719638790.db2.gz ACFIIMOWDDLROW-UHFFFAOYSA-N 2 1 495.656 5.092 20 0 JKADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c32)c2c1CC[NH2+]C2 ZINC001164679420 719638794 /nfs/dbraw/zinc/63/87/94/719638794.db2.gz ACFIIMOWDDLROW-UHFFFAOYSA-N 2 1 495.656 5.092 20 0 JKADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c32)c2c1CC[NH2+]C2 ZINC001164679744 719640477 /nfs/dbraw/zinc/64/04/77/719640477.db2.gz LKKMLQYZMZYDKA-UHFFFAOYSA-N 2 1 495.656 5.092 20 0 JKADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c32)c2c1CC[NH2+]C2 ZINC001164679744 719640481 /nfs/dbraw/zinc/64/04/81/719640481.db2.gz LKKMLQYZMZYDKA-UHFFFAOYSA-N 2 1 495.656 5.092 20 0 JKADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2ccccc2-c2nc(Cl)c3ccccc3n2)c2c1CC[NH2+]C2 ZINC001164681442 719651211 /nfs/dbraw/zinc/65/12/11/719651211.db2.gz OYUHHARLHIZLHS-UHFFFAOYSA-N 2 1 496.993 5.230 20 0 JKADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2ccccc2-c2nc(Cl)c3ccccc3n2)c2c1CC[NH2+]C2 ZINC001164681442 719651218 /nfs/dbraw/zinc/65/12/18/719651218.db2.gz OYUHHARLHIZLHS-UHFFFAOYSA-N 2 1 496.993 5.230 20 0 JKADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)CC2 ZINC001164844864 720696666 /nfs/dbraw/zinc/69/66/66/720696666.db2.gz VQPZQKFAAZSTAY-SANMLTNESA-N 2 1 466.629 5.345 20 0 JKADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1[nH+]c(N3CCCC3)cc3ccccc31)CC2 ZINC001164842368 720716875 /nfs/dbraw/zinc/71/68/75/720716875.db2.gz YTVUBTXMUXOKGR-VWLOTQADSA-N 2 1 456.634 5.095 20 0 JKADMP Cc1cccc(N(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164777013 721329702 /nfs/dbraw/zinc/32/97/02/721329702.db2.gz KERSIOAPEHKCQG-BTYSJIOQSA-N 2 1 499.684 5.387 20 0 JKADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)CC2 ZINC001164791373 721496397 /nfs/dbraw/zinc/49/63/97/721496397.db2.gz BYPYKIVENWKYCI-UHFFFAOYSA-N 2 1 451.618 5.361 20 0 JKADMP FC1(F)CCN(c2[nH+]ccc3c2ccn3Cc2ccccc2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907687 721711384 /nfs/dbraw/zinc/71/13/84/721711384.db2.gz SMOPOBSCPURUFJ-MHZLTWQESA-N 2 1 473.571 5.217 20 0 JKADMP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164909584 721764963 /nfs/dbraw/zinc/76/49/63/721764963.db2.gz CKMPIJJVQACNFE-HHHXNRCGSA-N 2 1 459.638 5.201 20 0 JKADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164909584 721764965 /nfs/dbraw/zinc/76/49/65/721764965.db2.gz CKMPIJJVQACNFE-HHHXNRCGSA-N 2 1 459.638 5.201 20 0 JKADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164909584 721764967 /nfs/dbraw/zinc/76/49/67/721764967.db2.gz CKMPIJJVQACNFE-HHHXNRCGSA-N 2 1 459.638 5.201 20 0 JKADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164909584 721764968 /nfs/dbraw/zinc/76/49/68/721764968.db2.gz CKMPIJJVQACNFE-HHHXNRCGSA-N 2 1 459.638 5.201 20 0 JKADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165025714 721823875 /nfs/dbraw/zinc/82/38/75/721823875.db2.gz NNZREDYESXJCMK-QPTUXGOLSA-N 2 1 492.737 5.282 20 0 JKADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165025714 721823877 /nfs/dbraw/zinc/82/38/77/721823877.db2.gz NNZREDYESXJCMK-QPTUXGOLSA-N 2 1 492.737 5.282 20 0 JKADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1C ZINC001165025180 721823998 /nfs/dbraw/zinc/82/39/98/721823998.db2.gz MCHIYEZXRJEHPO-QPTUXGOLSA-N 2 1 490.721 5.036 20 0 JKADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1C ZINC001165025180 721823999 /nfs/dbraw/zinc/82/39/99/721823999.db2.gz MCHIYEZXRJEHPO-QPTUXGOLSA-N 2 1 490.721 5.036 20 0 JKADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1C ZINC001165025187 721824042 /nfs/dbraw/zinc/82/40/42/721824042.db2.gz MCHIYEZXRJEHPO-XWGVYQGASA-N 2 1 490.721 5.036 20 0 JKADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2c1C ZINC001165025187 721824043 /nfs/dbraw/zinc/82/40/43/721824043.db2.gz MCHIYEZXRJEHPO-XWGVYQGASA-N 2 1 490.721 5.036 20 0 JKADMP c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(CCCC[NH2+]4)CC3)c2c1-c1ccccc1 ZINC001164386648 718803426 /nfs/dbraw/zinc/80/34/26/718803426.db2.gz BVIUYFWGWCWJAG-UHFFFAOYSA-N 2 1 461.679 5.457 20 0 JKADMP FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164413961 718881297 /nfs/dbraw/zinc/88/12/97/718881297.db2.gz PARYJUZOBNCTQH-LJQANCHMSA-N 2 1 493.643 5.209 20 0 JKADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)n1 ZINC001164625935 719049092 /nfs/dbraw/zinc/04/90/92/719049092.db2.gz PYWOYDVSVSPCPV-LXFBAYGMSA-N 2 1 469.658 5.003 20 0 JKADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)n1 ZINC001164625928 719049151 /nfs/dbraw/zinc/04/91/51/719049151.db2.gz PYWOYDVSVSPCPV-FIPFOOKPSA-N 2 1 469.658 5.003 20 0 JKADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)n2)CC1 ZINC001164619190 719122314 /nfs/dbraw/zinc/12/23/14/719122314.db2.gz CSUCGYFTNMLZCP-PKOBYXMFSA-N 2 1 485.698 5.165 20 0 JKADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)n2)CC1 ZINC001164619188 719122635 /nfs/dbraw/zinc/12/26/35/719122635.db2.gz CSUCGYFTNMLZCP-MJGOQNOKSA-N 2 1 485.698 5.165 20 0 JKADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)n2)CC1 ZINC001164619186 719123006 /nfs/dbraw/zinc/12/30/06/719123006.db2.gz CSUCGYFTNMLZCP-IEBWSBKVSA-N 2 1 485.698 5.165 20 0 JKADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(F)c2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nc1 ZINC001164654646 719297206 /nfs/dbraw/zinc/29/72/06/719297206.db2.gz RMBBALVQRWFDFM-WEWMWRJBSA-N 2 1 452.618 5.207 20 0 JKADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(F)c2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC001164654628 719297234 /nfs/dbraw/zinc/29/72/34/719297234.db2.gz RMBBALVQRWFDFM-RGSZASNESA-N 2 1 452.618 5.207 20 0 JKADMP Fc1ccc(C[N@@H+]2CCOCC23CCN(c2[nH+]ccc4c2ccn4Cc2ccccc2)CC3)cc1 ZINC001164671515 719513491 /nfs/dbraw/zinc/51/34/91/719513491.db2.gz FIWJGQUTKPNMKC-UHFFFAOYSA-N 2 1 470.592 5.095 20 0 JKADMP Fc1ccc(C[N@H+]2CCOCC23CCN(c2[nH+]ccc4c2ccn4Cc2ccccc2)CC3)cc1 ZINC001164671515 719513503 /nfs/dbraw/zinc/51/35/03/719513503.db2.gz FIWJGQUTKPNMKC-UHFFFAOYSA-N 2 1 470.592 5.095 20 0 JKADMP Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C[NH+]4CCCC4)nc4sc(C)c(C)c42)CC3)cs1 ZINC001164691733 719814010 /nfs/dbraw/zinc/81/40/10/719814010.db2.gz KBTKUPQLVYKLAL-UHFFFAOYSA-N 2 1 496.750 5.304 20 0 JKADMP Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C[NH+]4CCCC4)nc4sc(C)c(C)c42)CC3)cs1 ZINC001164691733 719814012 /nfs/dbraw/zinc/81/40/12/719814012.db2.gz KBTKUPQLVYKLAL-UHFFFAOYSA-N 2 1 496.750 5.304 20 0 JKADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H]([NH+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839352 720725245 /nfs/dbraw/zinc/72/52/45/720725245.db2.gz LKMMSHRLXZJSBH-RRPNLBNLSA-N 2 1 462.682 5.279 20 0 JKADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839352 720725257 /nfs/dbraw/zinc/72/52/57/720725257.db2.gz LKMMSHRLXZJSBH-RRPNLBNLSA-N 2 1 462.682 5.279 20 0 JKADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839352 720725263 /nfs/dbraw/zinc/72/52/63/720725263.db2.gz LKMMSHRLXZJSBH-RRPNLBNLSA-N 2 1 462.682 5.279 20 0 JKADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ccc(C)cc2)c2ncnc3c2CC[NH2+]CC3)nc1 ZINC001164970508 722078676 /nfs/dbraw/zinc/07/86/76/722078676.db2.gz QCNDXDRSKIGTSC-AREMUKBSSA-N 2 1 456.638 5.275 20 0 JKADMP FC(F)(F)[C@@H]1N(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)CCC12CC[NH2+]CC2 ZINC001164386939 718815294 /nfs/dbraw/zinc/81/52/94/718815294.db2.gz CCTUHDMTAMAHPI-HSZRJFAPSA-N 2 1 493.643 5.067 20 0 JKADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)n1 ZINC001164415043 718881365 /nfs/dbraw/zinc/88/13/65/718881365.db2.gz ZNCWKJOBHFKBCF-SFHVURJKSA-N 2 1 475.584 5.073 20 0 JKADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(c3cccc(F)c3)[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)c2c1C ZINC001164647885 719297222 /nfs/dbraw/zinc/29/72/22/719297222.db2.gz FELGQHMXIFFZAO-WXVAWEFUSA-N 2 1 495.668 5.092 20 0 JKADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3ccccc3)nc(Cl)c2-c2ccccc2)c2c1CC[NH2+]C2 ZINC001164682127 719621409 /nfs/dbraw/zinc/62/14/09/719621409.db2.gz LULUJZIGAARJIA-UHFFFAOYSA-N 2 1 473.024 5.136 20 0 JKADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3ccccc3)nc(Cl)c2-c2ccccc2)c2c1CC[NH2+]C2 ZINC001164682127 719621410 /nfs/dbraw/zinc/62/14/10/719621410.db2.gz LULUJZIGAARJIA-UHFFFAOYSA-N 2 1 473.024 5.136 20 0 JKADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)c2c1CC[NH2+]C2 ZINC001164681398 719653539 /nfs/dbraw/zinc/65/35/39/719653539.db2.gz NPLLVMRPWDHDHD-UHFFFAOYSA-N 2 1 480.390 5.335 20 0 JKADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)c2c1CC[NH2+]C2 ZINC001164681398 719653546 /nfs/dbraw/zinc/65/35/46/719653546.db2.gz NPLLVMRPWDHDHD-UHFFFAOYSA-N 2 1 480.390 5.335 20 0 JKADMP CC(C)c1ccc(-c2cc(C(F)(F)n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c(Cl)nn2)cc1 ZINC001164681451 719653729 /nfs/dbraw/zinc/65/37/29/719653729.db2.gz PMKBHWJQOUJUKX-UHFFFAOYSA-N 2 1 489.014 5.200 20 0 JKADMP CC(C)c1ccc(-c2cc(C(F)(F)n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c(Cl)nn2)cc1 ZINC001164681451 719653736 /nfs/dbraw/zinc/65/37/36/719653736.db2.gz PMKBHWJQOUJUKX-UHFFFAOYSA-N 2 1 489.014 5.200 20 0 JKADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCC[NH+]3Cc3csc(C)n3)CC2)nc1 ZINC001164698536 719815795 /nfs/dbraw/zinc/81/57/95/719815795.db2.gz DRDGEJCXGRBHTP-DEOSSOPVSA-N 2 1 453.700 5.419 20 0 JKADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc1 ZINC001164698536 719815799 /nfs/dbraw/zinc/81/57/99/719815799.db2.gz DRDGEJCXGRBHTP-DEOSSOPVSA-N 2 1 453.700 5.419 20 0 JKADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)nc1 ZINC001164698536 719815800 /nfs/dbraw/zinc/81/58/00/719815800.db2.gz DRDGEJCXGRBHTP-DEOSSOPVSA-N 2 1 453.700 5.419 20 0 JKADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCC[NH+]3Cc3csc(C)n3)CC2)nc1 ZINC001164698537 719816082 /nfs/dbraw/zinc/81/60/82/719816082.db2.gz DRDGEJCXGRBHTP-XMMPIXPASA-N 2 1 453.700 5.419 20 0 JKADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc1 ZINC001164698537 719816086 /nfs/dbraw/zinc/81/60/86/719816086.db2.gz DRDGEJCXGRBHTP-XMMPIXPASA-N 2 1 453.700 5.419 20 0 JKADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)nc1 ZINC001164698537 719816087 /nfs/dbraw/zinc/81/60/87/719816087.db2.gz DRDGEJCXGRBHTP-XMMPIXPASA-N 2 1 453.700 5.419 20 0 JKADMP FC1(F)CCN(c2[nH+]ccc3c2ccn3Cc2ccccc2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907681 721711907 /nfs/dbraw/zinc/71/19/07/721711907.db2.gz SMOPOBSCPURUFJ-HHHXNRCGSA-N 2 1 473.571 5.217 20 0 JKADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)nc1 ZINC001164912942 721734835 /nfs/dbraw/zinc/73/48/35/721734835.db2.gz RIPPJQGXFLJXNJ-AZGAKELHSA-N 2 1 469.624 5.151 20 0 JKADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164912942 721734839 /nfs/dbraw/zinc/73/48/39/721734839.db2.gz RIPPJQGXFLJXNJ-AZGAKELHSA-N 2 1 469.624 5.151 20 0 JKADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164912942 721734844 /nfs/dbraw/zinc/73/48/44/721734844.db2.gz RIPPJQGXFLJXNJ-AZGAKELHSA-N 2 1 469.624 5.151 20 0 JKADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165025716 721823899 /nfs/dbraw/zinc/82/38/99/721823899.db2.gz NNZREDYESXJCMK-QTJGBDASSA-N 2 1 492.737 5.282 20 0 JKADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165025716 721823900 /nfs/dbraw/zinc/82/39/00/721823900.db2.gz NNZREDYESXJCMK-QTJGBDASSA-N 2 1 492.737 5.282 20 0 JKADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C[NH+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164943484 721933134 /nfs/dbraw/zinc/93/31/34/721933134.db2.gz PBUOZJMZDBTRSF-HHHXNRCGSA-N 2 1 462.682 5.198 20 0 JKADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164943484 721933138 /nfs/dbraw/zinc/93/31/38/721933138.db2.gz PBUOZJMZDBTRSF-HHHXNRCGSA-N 2 1 462.682 5.198 20 0 JKADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164943484 721933141 /nfs/dbraw/zinc/93/31/41/721933141.db2.gz PBUOZJMZDBTRSF-HHHXNRCGSA-N 2 1 462.682 5.198 20 0 JKADMP