smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(c1nc2sc3c(c2c(N2CCCC[C@H]2C2CC[NH2+]CC2)n1)CCC3)[NH+]1CCCCC1 ZINC001164419196 718893034 /nfs/dbraw/zinc/89/30/34/718893034.db2.gz QOAVYOFOAUPPEM-FQEVSTJZSA-N 2 1 439.673 4.524 20 0 IJADMP Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC3)cs1 ZINC001164693101 719809890 /nfs/dbraw/zinc/80/98/90/719809890.db2.gz QCRHUPAUMBNESK-UHFFFAOYSA-N 2 1 446.064 4.731 20 0 IJADMP Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC3)cs1 ZINC001164693101 719809891 /nfs/dbraw/zinc/80/98/91/719809891.db2.gz QCRHUPAUMBNESK-UHFFFAOYSA-N 2 1 446.064 4.731 20 0 IJADMP COc1ccc2c(C)cc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)[nH+]c2c1 ZINC001164908314 721712525 /nfs/dbraw/zinc/71/25/25/721712525.db2.gz WZEMGTTVGDPWJS-DEOSSOPVSA-N 2 1 438.522 4.685 20 0 IJADMP COc1ccc2c(C)cc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)[nH+]c2c1 ZINC001164908314 721712527 /nfs/dbraw/zinc/71/25/27/721712527.db2.gz WZEMGTTVGDPWJS-DEOSSOPVSA-N 2 1 438.522 4.685 20 0 IJADMP CC[NH+](CC)C1CCN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC001165053643 722005582 /nfs/dbraw/zinc/00/55/82/722005582.db2.gz QUVCFYITJIMETA-SFHVURJKSA-N 2 1 441.689 4.723 20 0 IJADMP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN(Cc3cccnc3)c3[nH+]c(C)ccc3C2)nc1 ZINC001164952251 722006522 /nfs/dbraw/zinc/00/65/22/722006522.db2.gz LZHFNKPTJALGAH-RUZDIDTESA-N 2 1 442.611 4.754 20 0 IJADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCN(Cc3cccnc3)c3[nH+]c(C)ccc3C2)nc1 ZINC001164952251 722006524 /nfs/dbraw/zinc/00/65/24/722006524.db2.gz LZHFNKPTJALGAH-RUZDIDTESA-N 2 1 442.611 4.754 20 0 IJADMP C(c1nc2sc3c(c2c(N2CCCC[C@@H]2C2CC[NH2+]CC2)n1)CCCC3)[NH+]1CCCC1 ZINC001164417218 718892896 /nfs/dbraw/zinc/89/28/96/718892896.db2.gz IJHHPGPYAIYINX-HXUWFJFHSA-N 2 1 439.673 4.524 20 0 IJADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(-c3ccc(C4CCCCC4)cc3)nn2)c2c1CC[NH2+]C2 ZINC001164679768 719647904 /nfs/dbraw/zinc/64/79/04/719647904.db2.gz MPHJGUNJLVFAAM-UHFFFAOYSA-N 2 1 444.627 4.863 20 0 IJADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(-c3ccc(C4CCCCC4)cc3)nn2)c2c1CC[NH2+]C2 ZINC001164679768 719647910 /nfs/dbraw/zinc/64/79/10/719647910.db2.gz MPHJGUNJLVFAAM-UHFFFAOYSA-N 2 1 444.627 4.863 20 0 IJADMP COc1cc2c[nH+]c(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)cc2cc1OC ZINC001164839085 720716422 /nfs/dbraw/zinc/71/64/22/720716422.db2.gz KOMPXPGRSKNXMD-HSZRJFAPSA-N 2 1 447.579 4.512 20 0 IJADMP C(c1nc2sc3c(c2c(N2CCC4(CCCC[NH2+]4)CC2)n1)CCCC3)[NH+]1CCCCC1 ZINC001164388671 718803403 /nfs/dbraw/zinc/80/34/03/718803403.db2.gz ZNSAYBYUSXLEHK-UHFFFAOYSA-N 2 1 439.673 4.669 20 0 IJADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC5(CCCC[NH2+]5)CC3)n2)CCC4)CC1 ZINC001164388588 718803448 /nfs/dbraw/zinc/80/34/48/718803448.db2.gz XKURVBUZSYSFCZ-UHFFFAOYSA-N 2 1 439.673 4.524 20 0 IJADMP C(c1nc2sc3c(c2c(N2CCCC[C@@H]2C2CC[NH2+]CC2)n1)CCC3)[NH+]1CCCCC1 ZINC001164419199 718892977 /nfs/dbraw/zinc/89/29/77/718892977.db2.gz QOAVYOFOAUPPEM-HXUWFJFHSA-N 2 1 439.673 4.524 20 0 IJADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCCC[C@H]3C3CC[NH2+]CC3)c2c1C ZINC001164419023 718893014 /nfs/dbraw/zinc/89/30/14/718893014.db2.gz PHHOKDNYIMVGAF-FQEVSTJZSA-N 2 1 427.662 4.653 20 0 IJADMP Cc1cc2ccccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]1 ZINC001164754985 720898152 /nfs/dbraw/zinc/89/81/52/720898152.db2.gz KCBDQZBLSJWPMC-LBNVMWSVSA-N 2 1 442.607 4.693 20 0 IJADMP Cc1cc2ccccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]1 ZINC001164754985 720898156 /nfs/dbraw/zinc/89/81/56/720898156.db2.gz KCBDQZBLSJWPMC-LBNVMWSVSA-N 2 1 442.607 4.693 20 0 IJADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)[C@@H]2C ZINC001164864208 720971977 /nfs/dbraw/zinc/97/19/77/720971977.db2.gz ZOTZINUBQDDVCX-HXUWFJFHSA-N 2 1 428.584 4.703 20 0 IJADMP CC[NH+](CC)C1CCN(c2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)CC1 ZINC001165052841 722005595 /nfs/dbraw/zinc/00/55/95/722005595.db2.gz CSBNGTMAGRFZSA-UHFFFAOYSA-N 2 1 441.689 4.723 20 0 IJADMP C(c1nc2sc3c(c2c(N2CCCCC24CC[NH2+]CC4)n1)CCCC3)[NH+]1CCCCC1 ZINC001164422241 718910920 /nfs/dbraw/zinc/91/09/20/718910920.db2.gz YCNMHUMSJWOTRJ-UHFFFAOYSA-N 2 1 439.673 4.669 20 0 IJADMP Cc1cc2ccccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]1 ZINC001164754991 720898105 /nfs/dbraw/zinc/89/81/05/720898105.db2.gz KCBDQZBLSJWPMC-NAKRPHOHSA-N 2 1 442.607 4.693 20 0 IJADMP Cc1cc2ccccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]1 ZINC001164754991 720898107 /nfs/dbraw/zinc/89/81/07/720898107.db2.gz KCBDQZBLSJWPMC-NAKRPHOHSA-N 2 1 442.607 4.693 20 0 IJADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2nc(-c3ccc(F)cc3)c3c2CC[NH2+]CC3)nc1 ZINC001164798066 721597410 /nfs/dbraw/zinc/59/74/10/721597410.db2.gz IRTFQPWXFYHOAW-HSZRJFAPSA-N 2 1 433.575 4.699 20 0 IJADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CC[C@@H]4[NH2+]CC[C@@H]43)n2)CC1 ZINC001164410446 718876264 /nfs/dbraw/zinc/87/62/64/718876264.db2.gz BNCMBVATNVVYFO-ROUUACIJSA-N 2 1 439.654 4.592 20 0 IJADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC([NH+](C)Cc4ccncc4)C3)CC2)nc1 ZINC001164796206 721503309 /nfs/dbraw/zinc/50/33/09/721503309.db2.gz PTGFKDJQXLLOFU-RUZDIDTESA-N 2 1 433.644 4.905 20 0 IJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1 ZINC001164796206 721503312 /nfs/dbraw/zinc/50/33/12/721503312.db2.gz PTGFKDJQXLLOFU-RUZDIDTESA-N 2 1 433.644 4.905 20 0 IJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc1 ZINC001164796206 721503315 /nfs/dbraw/zinc/50/33/15/721503315.db2.gz PTGFKDJQXLLOFU-RUZDIDTESA-N 2 1 433.644 4.905 20 0 IJADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCCC[C@@H]3CC[NH+]3CCCC3)c2c1C ZINC001165049871 721975406 /nfs/dbraw/zinc/97/54/06/721975406.db2.gz SXJJPEHSOKWGAP-HXUWFJFHSA-N 2 1 427.662 4.749 20 0 IJADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ccc(C)cc2)c2ncnc3c2CC[NH2+]CC3)nc1 ZINC001164971617 722078571 /nfs/dbraw/zinc/07/85/71/722078571.db2.gz WIHGZDNKBQJXEY-RUZDIDTESA-N 2 1 442.611 4.885 20 0 IJADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC5(CCCC[NH2+]5)CC4)c23)C1 ZINC001164386665 718803294 /nfs/dbraw/zinc/80/32/94/718803294.db2.gz CJLRMBYRSAMTCC-GOSISDBHSA-N 2 1 439.673 4.524 20 0 IJADMP c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC(C4C[NH2+]C4)CC3)c2c1-c1ccccc1 ZINC001164615478 719037095 /nfs/dbraw/zinc/03/70/95/719037095.db2.gz NXHDFDRYSVVEBD-UHFFFAOYSA-N 2 1 447.652 4.780 20 0 IJADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3ccccc3)nc3ccc(Cl)cc32)c2c1CC[NH2+]C2 ZINC001164681253 719626855 /nfs/dbraw/zinc/62/68/55/719626855.db2.gz FGKWPSSFBFNUOX-UHFFFAOYSA-N 2 1 446.986 4.622 20 0 IJADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3ccccc3)nc3ccc(Cl)cc32)c2c1CC[NH2+]C2 ZINC001164681253 719626864 /nfs/dbraw/zinc/62/68/64/719626864.db2.gz FGKWPSSFBFNUOX-UHFFFAOYSA-N 2 1 446.986 4.622 20 0 IJADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H]([NH+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839675 720724974 /nfs/dbraw/zinc/72/49/74/720724974.db2.gz MOFOTDMZGMIGBF-IZZNHLLZSA-N 2 1 448.655 4.888 20 0 IJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839675 720724979 /nfs/dbraw/zinc/72/49/79/720724979.db2.gz MOFOTDMZGMIGBF-IZZNHLLZSA-N 2 1 448.655 4.888 20 0 IJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839675 720724983 /nfs/dbraw/zinc/72/49/83/720724983.db2.gz MOFOTDMZGMIGBF-IZZNHLLZSA-N 2 1 448.655 4.888 20 0 IJADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)C[C@H]21 ZINC001165022694 721814623 /nfs/dbraw/zinc/81/46/23/721814623.db2.gz GRXCKZBFPYKJAQ-WUMKDDEVSA-N 2 1 430.600 4.678 20 0 IJADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)C[C@H]21 ZINC001165022694 721814624 /nfs/dbraw/zinc/81/46/24/721814624.db2.gz GRXCKZBFPYKJAQ-WUMKDDEVSA-N 2 1 430.600 4.678 20 0 IJADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC(C[NH+](C)C)CC4)c23)C1 ZINC001165045338 721949236 /nfs/dbraw/zinc/94/92/36/721949236.db2.gz QGWRXNZCLYUFSA-SFHVURJKSA-N 2 1 441.689 4.580 20 0 IJADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCCC[C@H]3CC[NH+]3CCCC3)c2c1C ZINC001165049868 721975399 /nfs/dbraw/zinc/97/53/99/721975399.db2.gz SXJJPEHSOKWGAP-FQEVSTJZSA-N 2 1 427.662 4.749 20 0 IJADMP Cc1ccc(-c2nnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c3ccccc32)cc1C ZINC001164680530 719638300 /nfs/dbraw/zinc/63/83/00/719638300.db2.gz UTAPHVGGADVVQF-UHFFFAOYSA-N 2 1 440.595 4.585 20 0 IJADMP Cc1ccc(-c2nnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c3ccccc32)cc1C ZINC001164680530 719638305 /nfs/dbraw/zinc/63/83/05/719638305.db2.gz UTAPHVGGADVVQF-UHFFFAOYSA-N 2 1 440.595 4.585 20 0 IJADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(C)c2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)nc1 ZINC001164776390 721329722 /nfs/dbraw/zinc/32/97/22/721329722.db2.gz FESUTWIUHVUKEH-ZWEKWIFMSA-N 2 1 434.628 4.986 20 0 IJADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)n1 ZINC001164622324 719047837 /nfs/dbraw/zinc/04/78/37/719047837.db2.gz KMZMZHUCEVSAFN-RLWLMLJZSA-N 2 1 449.668 4.733 20 0 IJADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(F)c2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC001164649856 719297350 /nfs/dbraw/zinc/29/73/50/719297350.db2.gz HTCOHVXTEKCUJM-BFLUCZKCSA-N 2 1 438.591 4.817 20 0 IJADMP COc1cc2c[nH+]c(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)cc2cc1OC ZINC001164693438 719814633 /nfs/dbraw/zinc/81/46/33/719814633.db2.gz VBQYBGRSSUCDIJ-UHFFFAOYSA-N 2 1 438.597 4.652 20 0 IJADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC[NH+](Cc4cccnc4)C3)CC2)nc1 ZINC001164961385 722024137 /nfs/dbraw/zinc/02/41/37/722024137.db2.gz NLHSOHOSJLDBSD-VWLOTQADSA-N 2 1 433.644 4.906 20 0 IJADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164961385 722024141 /nfs/dbraw/zinc/02/41/41/722024141.db2.gz NLHSOHOSJLDBSD-VWLOTQADSA-N 2 1 433.644 4.906 20 0 IJADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164961385 722024143 /nfs/dbraw/zinc/02/41/43/722024143.db2.gz NLHSOHOSJLDBSD-VWLOTQADSA-N 2 1 433.644 4.906 20 0 IJADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCCC[C@@H]2C2CC[NH2+]CC2)n1 ZINC001164419762 718892940 /nfs/dbraw/zinc/89/29/40/718892940.db2.gz RAJXWAIBHLIDAY-OAQYLSRUSA-N 2 1 435.641 4.778 20 0 IJADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3ccc(Cl)cc3)nc3ccccc32)c2c1CC[NH2+]C2 ZINC001164684902 719622025 /nfs/dbraw/zinc/62/20/25/719622025.db2.gz YPMYISYSVVONCX-UHFFFAOYSA-N 2 1 446.986 4.622 20 0 IJADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3ccc(Cl)cc3)nc3ccccc32)c2c1CC[NH2+]C2 ZINC001164684902 719622031 /nfs/dbraw/zinc/62/20/31/719622031.db2.gz YPMYISYSVVONCX-UHFFFAOYSA-N 2 1 446.986 4.622 20 0 IJADMP c1csc(C[N@H+]2CCOC3(CCN(c4[nH+]c(N5CCCC5)cc5ccccc54)CC3)C2)c1 ZINC001164707287 719899201 /nfs/dbraw/zinc/89/92/01/719899201.db2.gz OKZGKITULKGWCX-UHFFFAOYSA-N 2 1 448.636 4.768 20 0 IJADMP Cc1ccc(N(c2nc(Cl)ccc2C[NH+]2CCCC2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001164968171 722078727 /nfs/dbraw/zinc/07/87/27/722078727.db2.gz URWZCSLXPSHBCI-UHFFFAOYSA-N 2 1 449.002 4.587 20 0 IJADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)c2c1CC[NH2+]C2 ZINC001164684995 719611702 /nfs/dbraw/zinc/61/17/02/719611702.db2.gz PWPXTRUGOPYOAL-UHFFFAOYSA-N 2 1 445.945 4.682 20 0 IJADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)c2c1CC[NH2+]C2 ZINC001164684995 719611712 /nfs/dbraw/zinc/61/17/12/719611712.db2.gz PWPXTRUGOPYOAL-UHFFFAOYSA-N 2 1 445.945 4.682 20 0 IJADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C[NH+](Cc2cccs2)CCO3)nc1 ZINC001164707721 719904306 /nfs/dbraw/zinc/90/43/06/719904306.db2.gz WHSMZMWKXSQRCA-HSZRJFAPSA-N 2 1 440.657 4.561 20 0 IJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001164707721 719904311 /nfs/dbraw/zinc/90/43/11/719904311.db2.gz WHSMZMWKXSQRCA-HSZRJFAPSA-N 2 1 440.657 4.561 20 0 IJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC001164707721 719904317 /nfs/dbraw/zinc/90/43/17/719904317.db2.gz WHSMZMWKXSQRCA-HSZRJFAPSA-N 2 1 440.657 4.561 20 0 IJADMP COc1cc2c[nH+]c(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)cc2cc1OC ZINC001164839087 720716939 /nfs/dbraw/zinc/71/69/39/720716939.db2.gz KOMPXPGRSKNXMD-QHCPKHFHSA-N 2 1 447.579 4.512 20 0 IJADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]c(N4CCCC4)cc4ccccc43)C[C@H]21 ZINC001165026764 721825856 /nfs/dbraw/zinc/82/58/56/721825856.db2.gz QBLIOIYWERAPLC-HDYLNDSGSA-N 2 1 441.623 4.967 20 0 IJADMP CC[NH+](CC)C1CCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC001165052847 722005757 /nfs/dbraw/zinc/00/57/57/722005757.db2.gz DDRBGVBJAUSQFT-UHFFFAOYSA-N 2 1 441.689 4.867 20 0 IJADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CC[C@@H]4[NH2+]CC[C@H]43)n2)CC1 ZINC001164410447 718876074 /nfs/dbraw/zinc/87/60/74/718876074.db2.gz BNCMBVATNVVYFO-ZWKOTPCHSA-N 2 1 439.654 4.592 20 0 IJADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCCCC35CC[NH2+]CC5)n2)CCC4)CC1 ZINC001164420507 718912053 /nfs/dbraw/zinc/91/20/53/718912053.db2.gz JWPXDPDXEIQPEH-UHFFFAOYSA-N 2 1 439.673 4.524 20 0 IJADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C[NH+](Cc2cccs2)CCO3)nc1 ZINC001164707722 719905069 /nfs/dbraw/zinc/90/50/69/719905069.db2.gz WHSMZMWKXSQRCA-QHCPKHFHSA-N 2 1 440.657 4.561 20 0 IJADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001164707722 719905088 /nfs/dbraw/zinc/90/50/88/719905088.db2.gz WHSMZMWKXSQRCA-QHCPKHFHSA-N 2 1 440.657 4.561 20 0 IJADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC001164707722 719905094 /nfs/dbraw/zinc/90/50/94/719905094.db2.gz WHSMZMWKXSQRCA-QHCPKHFHSA-N 2 1 440.657 4.561 20 0 IJADMP COc1cc2c[nH+]c(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)cc2cc1OC ZINC001164796349 721501825 /nfs/dbraw/zinc/50/18/25/721501825.db2.gz QUTMVIHVSMOCBX-UHFFFAOYSA-N 2 1 432.568 4.528 20 0 IJADMP COc1ccc2c(C)cc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)[nH+]c2c1 ZINC001164908319 721712596 /nfs/dbraw/zinc/71/25/96/721712596.db2.gz WZEMGTTVGDPWJS-XMMPIXPASA-N 2 1 438.522 4.685 20 0 IJADMP COc1ccc2c(C)cc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)[nH+]c2c1 ZINC001164908319 721712605 /nfs/dbraw/zinc/71/26/05/721712605.db2.gz WZEMGTTVGDPWJS-XMMPIXPASA-N 2 1 438.522 4.685 20 0 IJADMP CC[N@H+]1CCCC[C@H]1c1ccc(N(c2ccc(C)cc2)c2ncnc3c2CC[NH2+]CC3)nc1 ZINC001164971618 722078682 /nfs/dbraw/zinc/07/86/82/722078682.db2.gz WIHGZDNKBQJXEY-VWLOTQADSA-N 2 1 442.611 4.885 20 0 IJADMP [NH3+]CC1(F)CCN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c32)CC1 ZINC001164394144 718813415 /nfs/dbraw/zinc/81/34/15/718813415.db2.gz YOFXXFYUIJGURE-UHFFFAOYSA-N 2 1 439.604 4.611 20 0 IJADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(F)c2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC001164649857 719297125 /nfs/dbraw/zinc/29/71/25/719297125.db2.gz HTCOHVXTEKCUJM-DGWZTRNLSA-N 2 1 438.591 4.817 20 0 IJADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCCCC45CC[NH2+]CC5)c23)C1 ZINC001164422239 718912055 /nfs/dbraw/zinc/91/20/55/718912055.db2.gz YCIIEDYTFKCXMD-GOSISDBHSA-N 2 1 439.673 4.524 20 0 IJADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)n1 ZINC001164622267 719047634 /nfs/dbraw/zinc/04/76/34/719047634.db2.gz KMZMZHUCEVSAFN-HFZDXXHNSA-N 2 1 449.668 4.733 20 0 IJADMP COc1ccc2c(C)cc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)[nH+]c2c1 ZINC001164843703 720699928 /nfs/dbraw/zinc/69/99/28/720699928.db2.gz QNNMNSXSKCEKJA-QFIPXVFZSA-N 2 1 431.580 4.812 20 0 IJADMP COc1ccc2c(C)cc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)[nH+]c2c1 ZINC001164843703 720699935 /nfs/dbraw/zinc/69/99/35/720699935.db2.gz QNNMNSXSKCEKJA-QFIPXVFZSA-N 2 1 431.580 4.812 20 0 IJADMP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164955498 722018741 /nfs/dbraw/zinc/01/87/41/722018741.db2.gz JLDSTYOTMRHJGK-UHFFFAOYSA-N 2 1 437.591 4.972 20 0 IJADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCCCC45CC[NH2+]CC5)c23)C1 ZINC001164422240 718911728 /nfs/dbraw/zinc/91/17/28/718911728.db2.gz YCIIEDYTFKCXMD-SFHVURJKSA-N 2 1 439.673 4.524 20 0 IJADMP Fc1cccc(N(c2nc(Cl)ccc2C[NH+]2CCCC2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164652606 719296637 /nfs/dbraw/zinc/29/66/37/719296637.db2.gz NQSMFQCQEZVEQY-URXFXBBRSA-N 2 1 444.982 4.519 20 0 IJADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(F)c2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nc1 ZINC001164649858 719297246 /nfs/dbraw/zinc/29/72/46/719297246.db2.gz HTCOHVXTEKCUJM-GSLIJJQTSA-N 2 1 438.591 4.817 20 0 IJADMP CC(C)[N@H+](C)Cc1nn(-c2cc(-c3ccccc3)nc(-c3cccs3)n2)c2c1CC[NH2+]C2 ZINC001164679557 719642521 /nfs/dbraw/zinc/64/25/21/719642521.db2.gz GKGGZJFTDWMWFP-UHFFFAOYSA-N 2 1 444.608 4.544 20 0 IJADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(-c3ccccc3)nc(-c3cccs3)n2)c2c1CC[NH2+]C2 ZINC001164679557 719642530 /nfs/dbraw/zinc/64/25/30/719642530.db2.gz GKGGZJFTDWMWFP-UHFFFAOYSA-N 2 1 444.608 4.544 20 0 IJADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1[nH+]cnc3c1ccn3C1CCCC1)CC2 ZINC001164844544 720694767 /nfs/dbraw/zinc/69/47/67/720694767.db2.gz TYRPTOVPJRYNAX-HSZRJFAPSA-N 2 1 445.611 4.806 20 0 IJADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1[nH+]cnc3c1ccn3C1CCCC1)CC2 ZINC001164844544 720694776 /nfs/dbraw/zinc/69/47/76/720694776.db2.gz TYRPTOVPJRYNAX-HSZRJFAPSA-N 2 1 445.611 4.806 20 0 IJADMP Cc1cc2ccccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]1 ZINC001164754990 720897807 /nfs/dbraw/zinc/89/78/07/720897807.db2.gz KCBDQZBLSJWPMC-LSYYVWMOSA-N 2 1 442.607 4.693 20 0 IJADMP Cc1cc2ccccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]1 ZINC001164754990 720897808 /nfs/dbraw/zinc/89/78/08/720897808.db2.gz KCBDQZBLSJWPMC-LSYYVWMOSA-N 2 1 442.607 4.693 20 0 IJADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC([NH+](C)Cc4ccncc4)C3)CC2)nc1 ZINC001164796208 721503207 /nfs/dbraw/zinc/50/32/07/721503207.db2.gz PTGFKDJQXLLOFU-VWLOTQADSA-N 2 1 433.644 4.905 20 0 IJADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1 ZINC001164796208 721503214 /nfs/dbraw/zinc/50/32/14/721503214.db2.gz PTGFKDJQXLLOFU-VWLOTQADSA-N 2 1 433.644 4.905 20 0 IJADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc1 ZINC001164796208 721503219 /nfs/dbraw/zinc/50/32/19/721503219.db2.gz PTGFKDJQXLLOFU-VWLOTQADSA-N 2 1 433.644 4.905 20 0 IJADMP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164912280 721764738 /nfs/dbraw/zinc/76/47/38/721764738.db2.gz XIZQFCKOVOVFTD-AREMUKBSSA-N 2 1 445.611 4.811 20 0 IJADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164912280 721764739 /nfs/dbraw/zinc/76/47/39/721764739.db2.gz XIZQFCKOVOVFTD-AREMUKBSSA-N 2 1 445.611 4.811 20 0 IJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164912280 721764740 /nfs/dbraw/zinc/76/47/40/721764740.db2.gz XIZQFCKOVOVFTD-AREMUKBSSA-N 2 1 445.611 4.811 20 0 IJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164912280 721764741 /nfs/dbraw/zinc/76/47/41/721764741.db2.gz XIZQFCKOVOVFTD-AREMUKBSSA-N 2 1 445.611 4.811 20 0 IJADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)C[C@@H]21 ZINC001165022691 721814331 /nfs/dbraw/zinc/81/43/31/721814331.db2.gz GRXCKZBFPYKJAQ-VEXUSMLFSA-N 2 1 430.600 4.678 20 0 IJADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)C[C@@H]21 ZINC001165022691 721814333 /nfs/dbraw/zinc/81/43/33/721814333.db2.gz GRXCKZBFPYKJAQ-VEXUSMLFSA-N 2 1 430.600 4.678 20 0 IJADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CC[C@@H]4C[C@]4([NH3+])C3)n2)CC1 ZINC001164418544 718896511 /nfs/dbraw/zinc/89/65/11/718896511.db2.gz DDUROGLEXZAKRF-MWTRTKDXSA-N 2 1 439.654 4.579 20 0 IJADMP COc1ccc2c(c1)nc(-n1nc(C[N@H+](C)C(C)C)c3c1C[NH2+]CC3)cc2-c1ccccc1 ZINC001164680188 719638968 /nfs/dbraw/zinc/63/89/68/719638968.db2.gz RTMWQUYCCRSDAH-UHFFFAOYSA-N 2 1 441.579 4.582 20 0 IJADMP COc1ccc2c(c1)nc(-n1nc(C[N@@H+](C)C(C)C)c3c1C[NH2+]CC3)cc2-c1ccccc1 ZINC001164680188 719638974 /nfs/dbraw/zinc/63/89/74/719638974.db2.gz RTMWQUYCCRSDAH-UHFFFAOYSA-N 2 1 441.579 4.582 20 0 IJADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H]([NH+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839681 720725317 /nfs/dbraw/zinc/72/53/17/720725317.db2.gz MOFOTDMZGMIGBF-UIOOFZCWSA-N 2 1 448.655 4.888 20 0 IJADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839681 720725325 /nfs/dbraw/zinc/72/53/25/720725325.db2.gz MOFOTDMZGMIGBF-UIOOFZCWSA-N 2 1 448.655 4.888 20 0 IJADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839681 720725336 /nfs/dbraw/zinc/72/53/36/720725336.db2.gz MOFOTDMZGMIGBF-UIOOFZCWSA-N 2 1 448.655 4.888 20 0 IJADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(F)c2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nc1 ZINC001164649859 719297063 /nfs/dbraw/zinc/29/70/63/719297063.db2.gz HTCOHVXTEKCUJM-MZKUHISZSA-N 2 1 438.591 4.817 20 0 IJADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1[nH+]cnc3c1ccn3C1CCCC1)CC2 ZINC001164844545 720694187 /nfs/dbraw/zinc/69/41/87/720694187.db2.gz TYRPTOVPJRYNAX-QHCPKHFHSA-N 2 1 445.611 4.806 20 0 IJADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1[nH+]cnc3c1ccn3C1CCCC1)CC2 ZINC001164844545 720694190 /nfs/dbraw/zinc/69/41/90/720694190.db2.gz TYRPTOVPJRYNAX-QHCPKHFHSA-N 2 1 445.611 4.806 20 0 IJADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC[NH+](Cc4cccnc4)C3)CC2)nc1 ZINC001164961383 722023967 /nfs/dbraw/zinc/02/39/67/722023967.db2.gz NLHSOHOSJLDBSD-RUZDIDTESA-N 2 1 433.644 4.906 20 0 IJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164961383 722023971 /nfs/dbraw/zinc/02/39/71/722023971.db2.gz NLHSOHOSJLDBSD-RUZDIDTESA-N 2 1 433.644 4.906 20 0 IJADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164961383 722023974 /nfs/dbraw/zinc/02/39/74/722023974.db2.gz NLHSOHOSJLDBSD-RUZDIDTESA-N 2 1 433.644 4.906 20 0 IJADMP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCN(Cc3cccnc3)c3[nH+]c(C)ccc3C2)nc1 ZINC001164952257 722006706 /nfs/dbraw/zinc/00/67/06/722006706.db2.gz LZHFNKPTJALGAH-VWLOTQADSA-N 2 1 442.611 4.754 20 0 IJADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCN(Cc3cccnc3)c3[nH+]c(C)ccc3C2)nc1 ZINC001164952257 722006709 /nfs/dbraw/zinc/00/67/09/722006709.db2.gz LZHFNKPTJALGAH-VWLOTQADSA-N 2 1 442.611 4.754 20 0 IJADMP C(c1nc2sc3c(c2c(N2CCCC[C@H]2C2CC[NH2+]CC2)n1)CCCC3)[NH+]1CCCC1 ZINC001164417215 718892905 /nfs/dbraw/zinc/89/29/05/718892905.db2.gz IJHHPGPYAIYINX-FQEVSTJZSA-N 2 1 439.673 4.524 20 0 IJADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC5(CC([NH3+])C5)CC4)c23)C1 ZINC001164387304 718802306 /nfs/dbraw/zinc/80/23/06/718802306.db2.gz LZHHSOOKLJCAFK-QGZVFWFLSA-N 2 1 439.673 4.510 20 0 IJADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164791550 721496640 /nfs/dbraw/zinc/49/66/40/721496640.db2.gz DMFJFSJHBUBHCS-UHFFFAOYSA-N 2 1 440.035 4.607 20 0 IJADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164791550 721496643 /nfs/dbraw/zinc/49/66/43/721496643.db2.gz DMFJFSJHBUBHCS-UHFFFAOYSA-N 2 1 440.035 4.607 20 0 IJADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC5(CC([NH3+])C5)CC4)c23)C1 ZINC001164387303 718802279 /nfs/dbraw/zinc/80/22/79/718802279.db2.gz LZHHSOOKLJCAFK-KRWDZBQOSA-N 2 1 439.673 4.510 20 0 IJADMP COc1ccc2c(C)cc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)[nH+]c2c1 ZINC001164843702 720699447 /nfs/dbraw/zinc/69/94/47/720699447.db2.gz QNNMNSXSKCEKJA-JOCHJYFZSA-N 2 1 431.580 4.812 20 0 IJADMP COc1ccc2c(C)cc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)[nH+]c2c1 ZINC001164843702 720699450 /nfs/dbraw/zinc/69/94/50/720699450.db2.gz QNNMNSXSKCEKJA-JOCHJYFZSA-N 2 1 431.580 4.812 20 0 IJADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H]([NH+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839664 720724340 /nfs/dbraw/zinc/72/43/40/720724340.db2.gz MOFOTDMZGMIGBF-CLJLJLNGSA-N 2 1 448.655 4.888 20 0 IJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839664 720724344 /nfs/dbraw/zinc/72/43/44/720724344.db2.gz MOFOTDMZGMIGBF-CLJLJLNGSA-N 2 1 448.655 4.888 20 0 IJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839664 720724347 /nfs/dbraw/zinc/72/43/47/720724347.db2.gz MOFOTDMZGMIGBF-CLJLJLNGSA-N 2 1 448.655 4.888 20 0 IJADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)C[C@@H]21 ZINC001165022693 721814665 /nfs/dbraw/zinc/81/46/65/721814665.db2.gz GRXCKZBFPYKJAQ-WDJPJFJCSA-N 2 1 430.600 4.678 20 0 IJADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)C[C@@H]21 ZINC001165022693 721814666 /nfs/dbraw/zinc/81/46/66/721814666.db2.gz GRXCKZBFPYKJAQ-WDJPJFJCSA-N 2 1 430.600 4.678 20 0 IJADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CC[C@H]4[NH2+]CC[C@@H]43)n2)CC1 ZINC001164410444 718876025 /nfs/dbraw/zinc/87/60/25/718876025.db2.gz BNCMBVATNVVYFO-MSOLQXFVSA-N 2 1 439.654 4.592 20 0 IJADMP CCC[N@H+]1CCCC[C@H]1c1ccc(-n2nc(-c3ccc(F)cc3)c3c2CC[NH2+]CC3)nc1 ZINC001164798067 721597274 /nfs/dbraw/zinc/59/72/74/721597274.db2.gz IRTFQPWXFYHOAW-QHCPKHFHSA-N 2 1 433.575 4.699 20 0 IJADMP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C3)c1 ZINC001164996001 722202125 /nfs/dbraw/zinc/20/21/25/722202125.db2.gz RHQCLSFORQSSBL-DEOSSOPVSA-N 2 1 428.983 4.715 20 0 IJADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C3)c1 ZINC001164996001 722202129 /nfs/dbraw/zinc/20/21/29/722202129.db2.gz RHQCLSFORQSSBL-DEOSSOPVSA-N 2 1 428.983 4.715 20 0 IJADMP COc1cc2cc[nH+]c(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2cc1OC ZINC001164840559 720694692 /nfs/dbraw/zinc/69/46/92/720694692.db2.gz GNNLTDNLPIPLNI-QFIPXVFZSA-N 2 1 447.579 4.512 20 0 IJADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H]([NH+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839670 720724569 /nfs/dbraw/zinc/72/45/69/720724569.db2.gz MOFOTDMZGMIGBF-FTJBHMTQSA-N 2 1 448.655 4.888 20 0 IJADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839670 720724586 /nfs/dbraw/zinc/72/45/86/720724586.db2.gz MOFOTDMZGMIGBF-FTJBHMTQSA-N 2 1 448.655 4.888 20 0 IJADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839670 720724598 /nfs/dbraw/zinc/72/45/98/720724598.db2.gz MOFOTDMZGMIGBF-FTJBHMTQSA-N 2 1 448.655 4.888 20 0 IJADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(C)c2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)nc1 ZINC001164776382 721329331 /nfs/dbraw/zinc/32/93/31/721329331.db2.gz FESUTWIUHVUKEH-WEWMWRJBSA-N 2 1 434.628 4.986 20 0 IJADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C[NH+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940829 721933076 /nfs/dbraw/zinc/93/30/76/721933076.db2.gz FEZWBEBRCGMYNT-SANMLTNESA-N 2 1 448.655 4.808 20 0 IJADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940829 721933079 /nfs/dbraw/zinc/93/30/79/721933079.db2.gz FEZWBEBRCGMYNT-SANMLTNESA-N 2 1 448.655 4.808 20 0 IJADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940829 721933081 /nfs/dbraw/zinc/93/30/81/721933081.db2.gz FEZWBEBRCGMYNT-SANMLTNESA-N 2 1 448.655 4.808 20 0 IJADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C[NH+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940828 721933407 /nfs/dbraw/zinc/93/34/07/721933407.db2.gz FEZWBEBRCGMYNT-AREMUKBSSA-N 2 1 448.655 4.808 20 0 IJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940828 721933409 /nfs/dbraw/zinc/93/34/09/721933409.db2.gz FEZWBEBRCGMYNT-AREMUKBSSA-N 2 1 448.655 4.808 20 0 IJADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940828 721933410 /nfs/dbraw/zinc/93/34/10/721933410.db2.gz FEZWBEBRCGMYNT-AREMUKBSSA-N 2 1 448.655 4.808 20 0 IJADMP COc1cc2cc[nH+]c(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c2cc1OC ZINC001164692953 719809977 /nfs/dbraw/zinc/80/99/77/719809977.db2.gz OKSVOTGFBKIMHV-UHFFFAOYSA-N 2 1 438.597 4.652 20 0 IJADMP Cc1ccc(C[NH+]2CCC3(CCN(c4cc(OC5CC[NH+](C)CC5)ccn4)CC3)CC2)cc1 ZINC001164759973 721046950 /nfs/dbraw/zinc/04/69/50/721046950.db2.gz SEIASCNYIWRMIS-UHFFFAOYSA-N 2 1 448.655 4.746 20 0 IJADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(C)c2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)nc1 ZINC001164776376 721329440 /nfs/dbraw/zinc/32/94/40/721329440.db2.gz FESUTWIUHVUKEH-RGSZASNESA-N 2 1 434.628 4.986 20 0 IJADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)n1 ZINC001164622310 719047564 /nfs/dbraw/zinc/04/75/64/719047564.db2.gz KMZMZHUCEVSAFN-LVXARBLLSA-N 2 1 449.668 4.733 20 0 IJADMP Fc1cccc(N(c2nc(Cl)ccc2C[NH+]2CCCC2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164652604 719296791 /nfs/dbraw/zinc/29/67/91/719296791.db2.gz NQSMFQCQEZVEQY-QPPBQGQZSA-N 2 1 444.982 4.519 20 0 IJADMP Cc1cc2ccccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]1 ZINC001164754987 720897896 /nfs/dbraw/zinc/89/78/96/720897896.db2.gz KCBDQZBLSJWPMC-LEAFIULHSA-N 2 1 442.607 4.693 20 0 IJADMP Cc1cc2ccccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]1 ZINC001164754987 720897898 /nfs/dbraw/zinc/89/78/98/720897898.db2.gz KCBDQZBLSJWPMC-LEAFIULHSA-N 2 1 442.607 4.693 20 0 IJADMP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164912283 721764854 /nfs/dbraw/zinc/76/48/54/721764854.db2.gz XIZQFCKOVOVFTD-SANMLTNESA-N 2 1 445.611 4.811 20 0 IJADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164912283 721764856 /nfs/dbraw/zinc/76/48/56/721764856.db2.gz XIZQFCKOVOVFTD-SANMLTNESA-N 2 1 445.611 4.811 20 0 IJADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164912283 721764863 /nfs/dbraw/zinc/76/48/63/721764863.db2.gz XIZQFCKOVOVFTD-SANMLTNESA-N 2 1 445.611 4.811 20 0 IJADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164912283 721764868 /nfs/dbraw/zinc/76/48/68/721764868.db2.gz XIZQFCKOVOVFTD-SANMLTNESA-N 2 1 445.611 4.811 20 0 IJADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]c(N4CCCC4)cc4ccccc43)C[C@@H]21 ZINC001165026766 721825911 /nfs/dbraw/zinc/82/59/11/721825911.db2.gz QBLIOIYWERAPLC-ZSQFBXSQSA-N 2 1 441.623 4.967 20 0 IJADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]c(N4CCCC4)cc4ccccc43)C[C@@H]21 ZINC001165026765 721825983 /nfs/dbraw/zinc/82/59/83/721825983.db2.gz QBLIOIYWERAPLC-UCGXPXSYSA-N 2 1 441.623 4.967 20 0 IJADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCCC[C@H]2C2CC[NH2+]CC2)n1 ZINC001164419756 718893077 /nfs/dbraw/zinc/89/30/77/718893077.db2.gz RAJXWAIBHLIDAY-NRFANRHFSA-N 2 1 435.641 4.778 20 0 IJADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1[nH+]cnc3c1ccn3C1CCCC1)CC2 ZINC001164793022 721496578 /nfs/dbraw/zinc/49/65/78/721496578.db2.gz ZIOWODIHFRSAMV-UHFFFAOYSA-N 2 1 430.600 4.822 20 0 IJADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1[nH+]cnc3c1ccn3C1CCCC1)CC2 ZINC001164793022 721496585 /nfs/dbraw/zinc/49/65/85/721496585.db2.gz ZIOWODIHFRSAMV-UHFFFAOYSA-N 2 1 430.600 4.822 20 0 IJADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)C[C@H]21 ZINC001165022689 721814578 /nfs/dbraw/zinc/81/45/78/721814578.db2.gz GRXCKZBFPYKJAQ-CTUHWIOQSA-N 2 1 430.600 4.678 20 0 IJADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)C[C@H]21 ZINC001165022689 721814579 /nfs/dbraw/zinc/81/45/79/721814579.db2.gz GRXCKZBFPYKJAQ-CTUHWIOQSA-N 2 1 430.600 4.678 20 0 IJADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]c(N4CCCC4)cc4ccccc43)C[C@H]21 ZINC001165026763 721825848 /nfs/dbraw/zinc/82/58/48/721825848.db2.gz QBLIOIYWERAPLC-DNRSQYFGSA-N 2 1 441.623 4.967 20 0 IJADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC(C[NH+](C)C)CC4)c23)C1 ZINC001165045320 721949389 /nfs/dbraw/zinc/94/93/89/721949389.db2.gz QGWRXNZCLYUFSA-GOSISDBHSA-N 2 1 441.689 4.580 20 0 IJADMP CC[NH+](CC)C1CCN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC001165053640 722005709 /nfs/dbraw/zinc/00/57/09/722005709.db2.gz QUVCFYITJIMETA-GOSISDBHSA-N 2 1 441.689 4.723 20 0 IJADMP CC(C)[N@H+](C)Cc1nn(-c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164679748 719638399 /nfs/dbraw/zinc/63/83/99/719638399.db2.gz LNENDHOBNJTKCF-UHFFFAOYSA-N 2 1 446.986 4.622 20 0 IJADMP CC(C)[N@@H+](C)Cc1nn(-c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164679748 719638410 /nfs/dbraw/zinc/63/84/10/719638410.db2.gz LNENDHOBNJTKCF-UHFFFAOYSA-N 2 1 446.986 4.622 20 0 IJADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC5(CCCC[NH2+]5)CC4)c23)C1 ZINC001164386666 718803245 /nfs/dbraw/zinc/80/32/45/718803245.db2.gz CJLRMBYRSAMTCC-SFHVURJKSA-N 2 1 439.673 4.524 20 0 IJADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CC[C@H]4C[C@@]4([NH3+])C3)n2)CC1 ZINC001164418547 718896461 /nfs/dbraw/zinc/89/64/61/718896461.db2.gz DDUROGLEXZAKRF-QMHKHESXSA-N 2 1 439.654 4.579 20 0 IJADMP Fc1cccc(N(c2nc(Cl)ccc2C[NH+]2CCCC2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164652608 719297194 /nfs/dbraw/zinc/29/71/94/719297194.db2.gz NQSMFQCQEZVEQY-XUZZJYLKSA-N 2 1 444.982 4.519 20 0 IJADMP Fc1cccc(N(c2nc(Cl)ccc2C[NH+]2CCCC2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164652610 719297315 /nfs/dbraw/zinc/29/73/15/719297315.db2.gz NQSMFQCQEZVEQY-ZJSXRUAMSA-N 2 1 444.982 4.519 20 0 IJADMP COc1cc2cc[nH+]c(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2cc1OC ZINC001164840557 720695238 /nfs/dbraw/zinc/69/52/38/720695238.db2.gz GNNLTDNLPIPLNI-JOCHJYFZSA-N 2 1 447.579 4.512 20 0 IJADMP COc1cc2cc[nH+]c(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2cc1OC ZINC001164792993 721495950 /nfs/dbraw/zinc/49/59/50/721495950.db2.gz XRPFEBNHXJFEPE-UHFFFAOYSA-N 2 1 432.568 4.528 20 0 IJADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CC[C@H]4[NH2+]CC[C@H]43)n2)CC1 ZINC001164410445 718876181 /nfs/dbraw/zinc/87/61/81/718876181.db2.gz BNCMBVATNVVYFO-QZTJIDSGSA-N 2 1 439.654 4.592 20 0 IJADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)n1 ZINC001164622318 719047753 /nfs/dbraw/zinc/04/77/53/719047753.db2.gz KMZMZHUCEVSAFN-QFQXNSOFSA-N 2 1 449.668 4.733 20 0 IJADMP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C3)c1 ZINC001164996002 722202001 /nfs/dbraw/zinc/20/20/01/722202001.db2.gz RHQCLSFORQSSBL-XMMPIXPASA-N 2 1 428.983 4.715 20 0 IJADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C3)c1 ZINC001164996002 722202005 /nfs/dbraw/zinc/20/20/05/722202005.db2.gz RHQCLSFORQSSBL-XMMPIXPASA-N 2 1 428.983 4.715 20 0 IJADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCCC[C@@H]3C3CC[NH2+]CC3)c2c1C ZINC001164419024 718893066 /nfs/dbraw/zinc/89/30/66/718893066.db2.gz PHHOKDNYIMVGAF-HXUWFJFHSA-N 2 1 427.662 4.653 20 0 IJADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)[C@H]2C ZINC001164864207 720972427 /nfs/dbraw/zinc/97/24/27/720972427.db2.gz ZOTZINUBQDDVCX-FQEVSTJZSA-N 2 1 428.584 4.703 20 0 IJADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(C)c2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)nc1 ZINC001164776379 721329626 /nfs/dbraw/zinc/32/96/26/721329626.db2.gz FESUTWIUHVUKEH-SLQPCKNISA-N 2 1 434.628 4.986 20 0 IJADMP