smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC[C@@H]1C[N@H+](Cc2ccco2)CC12CCN(Cc1cccc(F)c1)CC2 ZINC000247828282 571125831 /nfs/dbraw/zinc/12/58/31/571125831.db2.gz GNIWCQCFRPACOW-IBGZPJMESA-N 1 3 372.484 3.779 40 0 FHABHO COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CCN(Cc1cccc(F)c1)CC2 ZINC000247828282 571125833 /nfs/dbraw/zinc/12/58/33/571125833.db2.gz GNIWCQCFRPACOW-IBGZPJMESA-N 1 3 372.484 3.779 40 0 FHABHO C[C@H](CN1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2)c1ccccc1 ZINC000247720445 571290799 /nfs/dbraw/zinc/29/07/99/571290799.db2.gz AAHATHJUMQGFQP-UTKZUKDTSA-N 1 3 350.510 3.795 40 0 FHABHO C[C@H](CN1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2)c1ccccc1 ZINC000247720445 571290800 /nfs/dbraw/zinc/29/08/00/571290800.db2.gz AAHATHJUMQGFQP-UTKZUKDTSA-N 1 3 350.510 3.795 40 0 FHABHO Cc1ccc(C[NH+]2CCC3(CC2)CN([C@@H]2CCOC2)Cc2ccccc23)o1 ZINC000096242599 570480010 /nfs/dbraw/zinc/48/00/10/570480010.db2.gz AGGAOMOCLIKJET-HXUWFJFHSA-N 1 3 366.505 3.726 40 0 FHABHO COC[C@H]1C[N@H+](Cc2ccco2)CC12CCN(Cc1cccc(F)c1)CC2 ZINC000247828283 571125823 /nfs/dbraw/zinc/12/58/23/571125823.db2.gz GNIWCQCFRPACOW-LJQANCHMSA-N 1 3 372.484 3.779 40 0 FHABHO COC[C@H]1C[N@@H+](Cc2ccco2)CC12CCN(Cc1cccc(F)c1)CC2 ZINC000247828283 571125825 /nfs/dbraw/zinc/12/58/25/571125825.db2.gz GNIWCQCFRPACOW-LJQANCHMSA-N 1 3 372.484 3.779 40 0 FHABHO COC[C@@H]1C[N@H+](Cc2ccco2)CC12CCN(Cc1ccccc1F)CC2 ZINC000247841222 571125892 /nfs/dbraw/zinc/12/58/92/571125892.db2.gz LAFYASKUKSDDGU-IBGZPJMESA-N 1 3 372.484 3.779 40 0 FHABHO COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CCN(Cc1ccccc1F)CC2 ZINC000247841222 571125893 /nfs/dbraw/zinc/12/58/93/571125893.db2.gz LAFYASKUKSDDGU-IBGZPJMESA-N 1 3 372.484 3.779 40 0 FHABHO COC[C@H]1C[N@H+](Cc2ccco2)CC12CCN(Cc1cccs1)CC2 ZINC000585102667 571223042 /nfs/dbraw/zinc/22/30/42/571223042.db2.gz ALXOJOBEXRRIGK-QGZVFWFLSA-N 1 3 360.523 3.702 40 0 FHABHO COC[C@H]1C[N@@H+](Cc2ccco2)CC12CCN(Cc1cccs1)CC2 ZINC000585102667 571223043 /nfs/dbraw/zinc/22/30/43/571223043.db2.gz ALXOJOBEXRRIGK-QGZVFWFLSA-N 1 3 360.523 3.702 40 0 FHABHO CC(=O)N[C@H]1C[N@H+](CCC2=C(C)CCCC2(C)C)C2(C1)CCN(C)CC2 ZINC000019703850 571304553 /nfs/dbraw/zinc/30/45/53/571304553.db2.gz UEZGADKAJAWHHT-LJQANCHMSA-N 1 3 361.574 3.578 40 0 FHABHO CC(=O)N[C@H]1C[N@@H+](CCC2=C(C)CCCC2(C)C)C2(C1)CCN(C)CC2 ZINC000019703850 571304554 /nfs/dbraw/zinc/30/45/54/571304554.db2.gz UEZGADKAJAWHHT-LJQANCHMSA-N 1 3 361.574 3.578 40 0 FHABHO COc1cccc(C[NH+]2CCC3(CCN(Cc4ccccn4)CC3)CC2)c1 ZINC000096071758 570475047 /nfs/dbraw/zinc/47/50/47/570475047.db2.gz QOZFJCIMCKFHQU-UHFFFAOYSA-N 1 3 365.521 3.968 40 0 FHABHO COC[C@@H]1C[N@H+](Cc2ccsc2)CC12CCN(Cc1cccnc1)CC2 ZINC000247891262 571126124 /nfs/dbraw/zinc/12/61/24/571126124.db2.gz TUIRYEXYLFVJOK-FQEVSTJZSA-N 1 3 371.550 3.504 40 0 FHABHO COC[C@@H]1C[N@@H+](Cc2ccsc2)CC12CCN(Cc1cccnc1)CC2 ZINC000247891262 571126126 /nfs/dbraw/zinc/12/61/26/571126126.db2.gz TUIRYEXYLFVJOK-FQEVSTJZSA-N 1 3 371.550 3.504 40 0 FHABHO Cc1ccc(C[NH+]2CCC3(CCN(Cc4cnn(C)c4)CC3)CC2)cc1 ZINC000096047257 570473783 /nfs/dbraw/zinc/47/37/83/570473783.db2.gz XQBAJYRDWKRFDA-UHFFFAOYSA-N 1 3 352.526 3.607 40 0 FHABHO COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2ccncc2)CC3)c1 ZINC000096157459 570478086 /nfs/dbraw/zinc/47/80/86/570478086.db2.gz AIXCQMVDCXQQAC-UHFFFAOYSA-N 1 3 351.494 3.578 40 0 FHABHO COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2ccncc2)CC3)c1 ZINC000096157459 570478089 /nfs/dbraw/zinc/47/80/89/570478089.db2.gz AIXCQMVDCXQQAC-UHFFFAOYSA-N 1 3 351.494 3.578 40 0 FHABHO COC[C@@H]1C[N@H+](Cc2ccccn2)CC12CCN(Cc1ccsc1)CC2 ZINC000247898025 571126175 /nfs/dbraw/zinc/12/61/75/571126175.db2.gz VGJPISYSDZRTCU-IBGZPJMESA-N 1 3 371.550 3.504 40 0 FHABHO COC[C@@H]1C[N@@H+](Cc2ccccn2)CC12CCN(Cc1ccsc1)CC2 ZINC000247898025 571126177 /nfs/dbraw/zinc/12/61/77/571126177.db2.gz VGJPISYSDZRTCU-IBGZPJMESA-N 1 3 371.550 3.504 40 0 FHABHO COC[C@H]1C[N@H+](Cc2ccsc2)CC12CCN(Cc1cccnc1)CC2 ZINC000247891265 571126213 /nfs/dbraw/zinc/12/62/13/571126213.db2.gz TUIRYEXYLFVJOK-HXUWFJFHSA-N 1 3 371.550 3.504 40 0 FHABHO COC[C@H]1C[N@@H+](Cc2ccsc2)CC12CCN(Cc1cccnc1)CC2 ZINC000247891265 571126215 /nfs/dbraw/zinc/12/62/15/571126215.db2.gz TUIRYEXYLFVJOK-HXUWFJFHSA-N 1 3 371.550 3.504 40 0 FHABHO O[C@H]1CCCC[C@H]1N1CCC([NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000128996767 571275430 /nfs/dbraw/zinc/27/54/30/571275430.db2.gz YWQUXMSTEZTNGD-PKTZIBPZSA-N 1 3 365.521 3.606 40 0 FHABHO COc1cccc(C[NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)c1 ZINC000096157603 570477921 /nfs/dbraw/zinc/47/79/21/570477921.db2.gz PQQPAISEXYVAPQ-UHFFFAOYSA-N 1 3 351.494 3.578 40 0 FHABHO COC[C@@H]1C[N@H+](Cc2cccs2)CC12CCN(Cc1cccnc1)CC2 ZINC000247888578 571126257 /nfs/dbraw/zinc/12/62/57/571126257.db2.gz SJFJZXCSPLNLBZ-IBGZPJMESA-N 1 3 371.550 3.504 40 0 FHABHO COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CCN(Cc1cccnc1)CC2 ZINC000247888578 571126259 /nfs/dbraw/zinc/12/62/59/571126259.db2.gz SJFJZXCSPLNLBZ-IBGZPJMESA-N 1 3 371.550 3.504 40 0 FHABHO Cc1cccc(CN2CCC(C(=O)NCCC[NH+]3CCCCCC3)CC2)c1 ZINC000009062578 571302357 /nfs/dbraw/zinc/30/23/57/571302357.db2.gz PRTZQIMRRVDGNH-UHFFFAOYSA-N 1 3 371.569 3.589 40 0 FHABHO COc1ccc(C[NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)cc1 ZINC000096046512 570472969 /nfs/dbraw/zinc/47/29/69/570472969.db2.gz QUTOTGDYEFJATB-UHFFFAOYSA-N 1 3 351.494 3.578 40 0 FHABHO C[C@H](CC[NH+]1CCC(c2ncc3c(n2)CCN(C)C3)CC1)c1ccccc1 ZINC000019455642 570889641 /nfs/dbraw/zinc/88/96/41/570889641.db2.gz FANGBTARIGBBFH-GOSISDBHSA-N 1 3 364.537 3.838 40 0 FHABHO CN(C)CC[N@H+](C)C1CCN(Cc2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000019582441 570895107 /nfs/dbraw/zinc/89/51/07/570895107.db2.gz UTERUMYEXVACNS-UHFFFAOYSA-N 1 3 369.528 3.951 40 0 FHABHO CN(C)CC[N@@H+](C)C1CCN(Cc2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000019582441 570895110 /nfs/dbraw/zinc/89/51/10/570895110.db2.gz UTERUMYEXVACNS-UHFFFAOYSA-N 1 3 369.528 3.951 40 0 FHABHO CC1CCN([C@@H](C(=O)N2CCC([NH+]3CCCC3)CC2)c2ccccc2)CC1 ZINC000019659662 570897289 /nfs/dbraw/zinc/89/72/89/570897289.db2.gz ZORMOZJDMPRBTD-JOCHJYFZSA-N 1 3 369.553 3.546 40 0 FHABHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000128997345 571275373 /nfs/dbraw/zinc/27/53/73/571275373.db2.gz YWQUXMSTEZTNGD-XZOQPEGZSA-N 1 3 365.521 3.606 40 0 FHABHO COc1ccc(C[NH+]2CCC3(CCN(Cc4ccccn4)CC3)CC2)cc1 ZINC000096047202 570473305 /nfs/dbraw/zinc/47/33/05/570473305.db2.gz SIOFYTRVAFRCNN-UHFFFAOYSA-N 1 3 365.521 3.968 40 0 FHABHO Cc1noc(C)c1CN1CCC2(CCC[N@H+](Cc3ccccn3)C2)CC1 ZINC000096063021 570475027 /nfs/dbraw/zinc/47/50/27/570475027.db2.gz ZRNFEIVIWHBTDS-UHFFFAOYSA-N 1 3 354.498 3.565 40 0 FHABHO Cc1noc(C)c1CN1CCC2(CCC[N@@H+](Cc3ccccn3)C2)CC1 ZINC000096063021 570475029 /nfs/dbraw/zinc/47/50/29/570475029.db2.gz ZRNFEIVIWHBTDS-UHFFFAOYSA-N 1 3 354.498 3.565 40 0 FHABHO COC[C@H]1CN(Cc2ccco2)CC12CC[NH+](CCc1ccccc1)CC2 ZINC000585102725 571223036 /nfs/dbraw/zinc/22/30/36/571223036.db2.gz BYNHLSLBQMXFRD-OAQYLSRUSA-N 1 3 368.521 3.683 40 0 FHABHO COC[C@H]1CN(Cc2ccco2)CC12CC[NH+](Cc1ccccc1)CC2 ZINC000585102924 571223274 /nfs/dbraw/zinc/22/32/74/571223274.db2.gz IPSPRAOHZPSZRP-HXUWFJFHSA-N 1 3 354.494 3.640 40 0 FHABHO c1ccc(CN2CCC3=NNC4(CC[NH+](Cc5ccccc5)CC4)[C@@H]3C2)cc1 ZINC000091244422 571238568 /nfs/dbraw/zinc/23/85/68/571238568.db2.gz DRLOKFIDLJPWAC-JOCHJYFZSA-N 1 3 374.532 3.503 40 0 FHABHO COc1cccc(C[NH+]2CCC3(CCN(Cc4ccncc4)CC3)CC2)c1 ZINC000096047248 209101108 /nfs/dbraw/zinc/10/11/08/209101108.db2.gz KILLWPVSGLONLO-UHFFFAOYSA-N 1 3 365.521 3.968 40 0 FHABHO CN(Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@@H](O)c1ccccc1 ZINC000585274414 570487450 /nfs/dbraw/zinc/48/74/50/570487450.db2.gz WFMXKHSGWHAWSJ-HSZRJFAPSA-N 1 3 368.521 3.717 40 0 FHABHO C/C(=C\c1ccccc1)CN1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019014404 570879271 /nfs/dbraw/zinc/87/92/71/570879271.db2.gz XQCFENRZTPATLO-ITICKHJUSA-N 1 3 362.521 3.747 40 0 FHABHO C/C(=C\c1ccccc1)CN1CCC[C@@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019014404 570879275 /nfs/dbraw/zinc/87/92/75/570879275.db2.gz XQCFENRZTPATLO-ITICKHJUSA-N 1 3 362.521 3.747 40 0 FHABHO CC(C)(CN1CCCC1)C[N@H+]1C[C@@H](c2ccccc2)[C@H](c2cc[nH]n2)C1 ZINC000072395186 571190882 /nfs/dbraw/zinc/19/08/82/571190882.db2.gz JWUSVCIEWHCTIR-VQTJNVASSA-N 1 3 352.526 3.715 40 0 FHABHO CC(C)(CN1CCCC1)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](c2cc[nH]n2)C1 ZINC000072395186 571190885 /nfs/dbraw/zinc/19/08/85/571190885.db2.gz JWUSVCIEWHCTIR-VQTJNVASSA-N 1 3 352.526 3.715 40 0 FHABHO CC(C)(CN1C[C@@H](c2ccccc2)[C@H](c2cc[nH]n2)C1)C[NH+]1CCCC1 ZINC000072395186 571190888 /nfs/dbraw/zinc/19/08/88/571190888.db2.gz JWUSVCIEWHCTIR-VQTJNVASSA-N 1 3 352.526 3.715 40 0 FHABHO Cc1nc2c(n1C(C)C)CN(CC1CC1)CC21CC[NH+](CC(C)C)CC1 ZINC000306132533 571214142 /nfs/dbraw/zinc/21/41/42/571214142.db2.gz LLOPULPCSFDWSV-UHFFFAOYSA-N 1 3 358.574 3.988 40 0 FHABHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000128997142 571275408 /nfs/dbraw/zinc/27/54/08/571275408.db2.gz YWQUXMSTEZTNGD-DHIUTWEWSA-N 1 3 365.521 3.606 40 0 FHABHO Cc1ccc(CN[C@H]2CC3(CC[NH+](CCO)CC3)c3ccccc32)s1 ZINC000096241501 209143187 /nfs/dbraw/zinc/14/31/87/209143187.db2.gz GFXBLAITXAFFRL-FQEVSTJZSA-N 1 3 356.535 3.617 40 0 FHABHO COc1cccc(C[NH+]2CCC3(CCN(Cc4ccncc4)C3)CC2)c1 ZINC000096157604 209126509 /nfs/dbraw/zinc/12/65/09/209126509.db2.gz UGZUJSJEYMEPCX-UHFFFAOYSA-N 1 3 351.494 3.578 40 0 FHABHO CC(C)(CN1CCCC1)C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 ZINC000012219977 207348897 /nfs/dbraw/zinc/34/88/97/207348897.db2.gz LKHAVFFYQQRAJM-VSOVRNOCSA-N 1 3 360.517 3.762 40 0 FHABHO CC(C)(CN1CCCC1)C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 ZINC000012219977 207348900 /nfs/dbraw/zinc/34/89/00/207348900.db2.gz LKHAVFFYQQRAJM-VSOVRNOCSA-N 1 3 360.517 3.762 40 0 FHABHO c1ccc(CN2CCC3=NNC4(CC[NH+](Cc5ccccc5)CC4)[C@H]3C2)cc1 ZINC000091244423 208971479 /nfs/dbraw/zinc/97/14/79/208971479.db2.gz DRLOKFIDLJPWAC-QFIPXVFZSA-N 1 3 374.532 3.503 40 0 FHABHO C[C@@H](CN1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2)c1ccccc1 ZINC000247720449 571290789 /nfs/dbraw/zinc/29/07/89/571290789.db2.gz AAHATHJUMQGFQP-UWJYYQICSA-N 1 3 350.510 3.795 40 0 FHABHO C[C@@H](CN1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2)c1ccccc1 ZINC000247720449 571290790 /nfs/dbraw/zinc/29/07/90/571290790.db2.gz AAHATHJUMQGFQP-UWJYYQICSA-N 1 3 350.510 3.795 40 0 FHABHO Fc1cccc(CN2CCC[C@@]3(C[C@@H](CNc4cc[nH+]cc4)CO3)C2)c1 ZINC000107790837 209280599 /nfs/dbraw/zinc/28/05/99/209280599.db2.gz JDTZOSNZFMVBSC-GHTZIAJQSA-N 1 3 355.457 3.704 40 0 FHABHO CC1CC[NH+](CCCNC(=O)c2ccc(CN3CCCCC3)cc2)CC1 ZINC000010540955 570803863 /nfs/dbraw/zinc/80/38/63/570803863.db2.gz KLENZXADOANXJC-UHFFFAOYSA-N 1 3 357.542 3.524 40 0 FHABHO C/C(=C\c1ccccc1)CN1CCC(c2ncc3c(n2)CC[N@@H+](C)C3)CC1 ZINC000019014366 570879400 /nfs/dbraw/zinc/87/94/00/570879400.db2.gz DIKBXESCLAUHJG-NBVRZTHBSA-N 1 3 362.521 3.747 40 0 FHABHO C/C(=C\c1ccccc1)CN1CCC(c2ncc3c(n2)CC[N@H+](C)C3)CC1 ZINC000019014366 570879403 /nfs/dbraw/zinc/87/94/03/570879403.db2.gz DIKBXESCLAUHJG-NBVRZTHBSA-N 1 3 362.521 3.747 40 0 FHABHO COC[C@@H]1C[N@H+](Cc2cccs2)CC12CCN(Cc1ccco1)CC2 ZINC000585102995 571223155 /nfs/dbraw/zinc/22/31/55/571223155.db2.gz KLRNCZOBTRMAMW-KRWDZBQOSA-N 1 3 360.523 3.702 40 0 FHABHO COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CCN(Cc1ccco1)CC2 ZINC000585102995 571223157 /nfs/dbraw/zinc/22/31/57/571223157.db2.gz KLRNCZOBTRMAMW-KRWDZBQOSA-N 1 3 360.523 3.702 40 0 FHABHO CN(C)Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cc1 ZINC000012344907 570738613 /nfs/dbraw/zinc/73/86/13/570738613.db2.gz YFSKCODKLVXBBJ-AIZNXBIQSA-N 1 3 368.496 3.902 40 0 FHABHO CN(C)Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cc1 ZINC000012344907 570738617 /nfs/dbraw/zinc/73/86/17/570738617.db2.gz YFSKCODKLVXBBJ-AIZNXBIQSA-N 1 3 368.496 3.902 40 0 FHABHO COC[C@@H]1C[N@H+](Cc2cccs2)CC12CCN(Cc1ccoc1)CC2 ZINC000585104248 571223983 /nfs/dbraw/zinc/22/39/83/571223983.db2.gz XCRYSKWSQSIYGQ-SFHVURJKSA-N 1 3 360.523 3.702 40 0 FHABHO COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CCN(Cc1ccoc1)CC2 ZINC000585104248 571223986 /nfs/dbraw/zinc/22/39/86/571223986.db2.gz XCRYSKWSQSIYGQ-SFHVURJKSA-N 1 3 360.523 3.702 40 0 FHABHO COc1ccc(C[N@H+](C[C@H]2CCOC2)C2CC(C)(C)NC(C)(C)C2)cc1 ZINC000019461001 220261017 /nfs/dbraw/zinc/26/10/17/220261017.db2.gz HHNZGVTXKLEKBJ-GOSISDBHSA-N 1 3 360.542 3.843 40 0 FHABHO COc1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC(C)(C)NC(C)(C)C2)cc1 ZINC000019461001 220261020 /nfs/dbraw/zinc/26/10/20/220261020.db2.gz HHNZGVTXKLEKBJ-GOSISDBHSA-N 1 3 360.542 3.843 40 0 FHABHO COc1ccc(CN(C[C@H]2CCOC2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000019461001 220261025 /nfs/dbraw/zinc/26/10/25/220261025.db2.gz HHNZGVTXKLEKBJ-GOSISDBHSA-N 1 3 360.542 3.843 40 0 FHABHO Cc1ccc(C[N@@H+]2CCCC3(CCN(Cc4cnn(C)c4)CC3)C2)cc1 ZINC000096047375 209099492 /nfs/dbraw/zinc/09/94/92/209099492.db2.gz MMIASXJSMNJWDG-UHFFFAOYSA-N 1 3 352.526 3.607 40 0 FHABHO Cc1ccc(C[N@H+]2CCCC3(CCN(Cc4cnn(C)c4)CC3)C2)cc1 ZINC000096047375 209099489 /nfs/dbraw/zinc/09/94/89/209099489.db2.gz MMIASXJSMNJWDG-UHFFFAOYSA-N 1 3 352.526 3.607 40 0 FHABHO C/C(=C\c1ccccc1)CN1CCC[C@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019014406 570879286 /nfs/dbraw/zinc/87/92/86/570879286.db2.gz XQCFENRZTPATLO-ZPBCLNFZSA-N 1 3 362.521 3.747 40 0 FHABHO C/C(=C\c1ccccc1)CN1CCC[C@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019014406 570879288 /nfs/dbraw/zinc/87/92/88/570879288.db2.gz XQCFENRZTPATLO-ZPBCLNFZSA-N 1 3 362.521 3.747 40 0 FHABHO Cc1ccc(C[NH+]2CCC3(CC2)CN([C@H]2CCOC2)Cc2ccccc23)o1 ZINC000096242600 209143616 /nfs/dbraw/zinc/14/36/16/209143616.db2.gz AGGAOMOCLIKJET-FQEVSTJZSA-N 1 3 366.505 3.726 40 0 FHABHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1cccs1)CC2 ZINC000096051787 209103202 /nfs/dbraw/zinc/10/32/02/209103202.db2.gz NRJXUCWHZFBPLU-LJQANCHMSA-N 1 3 371.550 3.646 40 0 FHABHO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)N3CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000019084901 570880462 /nfs/dbraw/zinc/88/04/62/570880462.db2.gz DJTYLKLGKCPIDX-DETIRCLXSA-N 1 3 372.553 3.632 40 0 FHABHO C[C@@H](CN1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2)c1ccccc1 ZINC000019456143 570889673 /nfs/dbraw/zinc/88/96/73/570889673.db2.gz AAHATHJUMQGFQP-LAUBAEHRSA-N 1 3 350.510 3.795 40 0 FHABHO C[C@@H](CN1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2)c1ccccc1 ZINC000019456143 570889675 /nfs/dbraw/zinc/88/96/75/570889675.db2.gz AAHATHJUMQGFQP-LAUBAEHRSA-N 1 3 350.510 3.795 40 0 FHABHO COC[C@H]1C[N@H+](Cc2ccco2)CC12CCN(Cc1ccccc1F)CC2 ZINC000247841225 571125777 /nfs/dbraw/zinc/12/57/77/571125777.db2.gz LAFYASKUKSDDGU-LJQANCHMSA-N 1 3 372.484 3.779 40 0 FHABHO COC[C@H]1C[N@@H+](Cc2ccco2)CC12CCN(Cc1ccccc1F)CC2 ZINC000247841225 571125781 /nfs/dbraw/zinc/12/57/81/571125781.db2.gz LAFYASKUKSDDGU-LJQANCHMSA-N 1 3 372.484 3.779 40 0 FHABHO COC[C@H]1C[N@H+](Cc2ccco2)CC12CCN(Cc1ccsc1)CC2 ZINC000585103939 571222752 /nfs/dbraw/zinc/22/27/52/571222752.db2.gz UIPNZSRBUHNLMM-GOSISDBHSA-N 1 3 360.523 3.702 40 0 FHABHO COC[C@H]1C[N@@H+](Cc2ccco2)CC12CCN(Cc1ccsc1)CC2 ZINC000585103939 571222753 /nfs/dbraw/zinc/22/27/53/571222753.db2.gz UIPNZSRBUHNLMM-GOSISDBHSA-N 1 3 360.523 3.702 40 0 FHABHO c1ccc(CN2CCC(N3CC[NH+](C4CCCCCC4)CC3)CC2)cc1 ZINC000020522469 211286010 /nfs/dbraw/zinc/28/60/10/211286010.db2.gz RBZLLTYQTDYKHT-UHFFFAOYSA-N 1 3 355.570 3.991 40 0 FHABHO C[C@@H](CC[NH+]1CCC(c2ncc3c(n2)CCN(C)C3)CC1)c1ccccc1 ZINC000019455640 211224568 /nfs/dbraw/zinc/22/45/68/211224568.db2.gz FANGBTARIGBBFH-SFHVURJKSA-N 1 3 364.537 3.838 40 0 FHABHO CC(C)[NH+]1CCC2(C[C@@H](COCC3CC3)N(Cc3cccnc3)C2)CC1 ZINC000096219128 222083972 /nfs/dbraw/zinc/08/39/72/222083972.db2.gz DTMUPLFCPIZAFK-NRFANRHFSA-N 1 3 357.542 3.573 40 0 FHABHO COC[C@@H]1C[N@H+](Cc2ccsc2)CC12CCN(Cc1ccoc1)CC2 ZINC000585103554 571222426 /nfs/dbraw/zinc/22/24/26/571222426.db2.gz POGLAYFSEAUHFZ-IBGZPJMESA-N 1 3 360.523 3.702 40 0 FHABHO COC[C@@H]1C[N@@H+](Cc2ccsc2)CC12CCN(Cc1ccoc1)CC2 ZINC000585103554 571222429 /nfs/dbraw/zinc/22/24/29/571222429.db2.gz POGLAYFSEAUHFZ-IBGZPJMESA-N 1 3 360.523 3.702 40 0 FHABHO CC(C)(C[NH+]1CCCCC1)NC(=O)c1ccccc1CN1CCCCC1 ZINC000019662410 211244407 /nfs/dbraw/zinc/24/44/07/211244407.db2.gz ULYWTOGYQOJAPV-UHFFFAOYSA-N 1 3 357.542 3.667 40 0 FHABHO COc1cc(C[NH2+]CCCN(C)C)cc(Cl)c1OCc1ccccc1 ZINC000008373832 570680763 /nfs/dbraw/zinc/68/07/63/570680763.db2.gz AHIVDJKFMMAUNV-UHFFFAOYSA-N 1 3 362.901 3.969 40 0 FHABHO C[C@H](CN1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2)c1ccccc1 ZINC000019456145 211223539 /nfs/dbraw/zinc/22/35/39/211223539.db2.gz AAHATHJUMQGFQP-DYESRHJHSA-N 1 3 350.510 3.795 40 0 FHABHO C[C@H](CN1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2)c1ccccc1 ZINC000019456145 211223542 /nfs/dbraw/zinc/22/35/42/211223542.db2.gz AAHATHJUMQGFQP-DYESRHJHSA-N 1 3 350.510 3.795 40 0 FHABHO COC[C@H]1C[N@H+](Cc2cccs2)CC12CCN(Cc1ccncc1)CC2 ZINC000247847014 571125945 /nfs/dbraw/zinc/12/59/45/571125945.db2.gz NGVYBXXYVAWOFM-LJQANCHMSA-N 1 3 371.550 3.504 40 0 FHABHO COC[C@H]1C[N@@H+](Cc2cccs2)CC12CCN(Cc1ccncc1)CC2 ZINC000247847014 571125946 /nfs/dbraw/zinc/12/59/46/571125946.db2.gz NGVYBXXYVAWOFM-LJQANCHMSA-N 1 3 371.550 3.504 40 0 FHABHO COC[C@@H]1C[N@H+](Cc2ccco2)CC12CCN(Cc1cccs1)CC2 ZINC000585102666 571222927 /nfs/dbraw/zinc/22/29/27/571222927.db2.gz ALXOJOBEXRRIGK-KRWDZBQOSA-N 1 3 360.523 3.702 40 0 FHABHO COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CCN(Cc1cccs1)CC2 ZINC000585102666 571222928 /nfs/dbraw/zinc/22/29/28/571222928.db2.gz ALXOJOBEXRRIGK-KRWDZBQOSA-N 1 3 360.523 3.702 40 0 FHABHO O[C@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000128996959 571275402 /nfs/dbraw/zinc/27/54/02/571275402.db2.gz YWQUXMSTEZTNGD-GOTSBHOMSA-N 1 3 365.521 3.606 40 0 FHABHO C[NH2+]C1CCC2(CC1)CN(Cc1ccc(OC)cc1)Cc1ccccc1O2 ZINC000019591985 211239480 /nfs/dbraw/zinc/23/94/80/211239480.db2.gz ISEXLDZQGBHYOQ-UHFFFAOYSA-N 1 3 366.505 3.991 40 0 FHABHO COC[C@H]1C[N@H+](Cc2cccs2)CC12CCN(Cc1ccccn1)CC2 ZINC000247846080 571125841 /nfs/dbraw/zinc/12/58/41/571125841.db2.gz MRCNLDJJBTYBNH-GOSISDBHSA-N 1 3 371.550 3.504 40 0 FHABHO COC[C@H]1C[N@@H+](Cc2cccs2)CC12CCN(Cc1ccccn1)CC2 ZINC000247846080 571125842 /nfs/dbraw/zinc/12/58/42/571125842.db2.gz MRCNLDJJBTYBNH-GOSISDBHSA-N 1 3 371.550 3.504 40 0 FHABHO COC[C@@H]1C[N@H+](Cc2ccco2)CC12CCN(Cc1ccc(F)cc1)CC2 ZINC000247879626 571126086 /nfs/dbraw/zinc/12/60/86/571126086.db2.gz PRUAQKGROQNVMU-IBGZPJMESA-N 1 3 372.484 3.779 40 0 FHABHO COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CCN(Cc1ccc(F)cc1)CC2 ZINC000247879626 571126088 /nfs/dbraw/zinc/12/60/88/571126088.db2.gz PRUAQKGROQNVMU-IBGZPJMESA-N 1 3 372.484 3.779 40 0 FHABHO Cc1ccc(CN2CCC(C(=O)NCCC[NH+]3CCCCCC3)CC2)cc1 ZINC000039755012 263399403 /nfs/dbraw/zinc/39/94/03/263399403.db2.gz HPNUDTXPWNWAEX-UHFFFAOYSA-N 1 3 371.569 3.589 40 0 FHABHO COC[C@@H]1CN(Cc2ccco2)CC12CC[NH+](Cc1ccccc1)CC2 ZINC000585102923 571223253 /nfs/dbraw/zinc/22/32/53/571223253.db2.gz IPSPRAOHZPSZRP-FQEVSTJZSA-N 1 3 354.494 3.640 40 0 FHABHO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000009062531 571302387 /nfs/dbraw/zinc/30/23/87/571302387.db2.gz YSYQSXWEJBDDOP-QFIPXVFZSA-N 1 3 371.569 3.669 40 0 FHABHO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000009062531 571302388 /nfs/dbraw/zinc/30/23/88/571302388.db2.gz YSYQSXWEJBDDOP-QFIPXVFZSA-N 1 3 371.569 3.669 40 0 FHABHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1cccs1)CC2 ZINC000096051786 222003757 /nfs/dbraw/zinc/00/37/57/222003757.db2.gz NRJXUCWHZFBPLU-IBGZPJMESA-N 1 3 371.550 3.646 40 0 FHABHO Fc1cccc(CN2CCC[C@]3(C[C@@H](CNc4cc[nH+]cc4)CO3)C2)c1 ZINC000107790842 570525500 /nfs/dbraw/zinc/52/55/00/570525500.db2.gz JDTZOSNZFMVBSC-RXVVDRJESA-N 1 3 355.457 3.704 40 0 FHABHO COC[C@H]1C[N@H+](Cc2ccco2)CC12CCN(Cc1ccc(C)o1)CC2 ZINC000585102711 571222873 /nfs/dbraw/zinc/22/28/73/571222873.db2.gz BHPZCSBGGMRBCQ-GOSISDBHSA-N 1 3 358.482 3.542 40 0 FHABHO COC[C@H]1C[N@@H+](Cc2ccco2)CC12CCN(Cc1ccc(C)o1)CC2 ZINC000585102711 571222874 /nfs/dbraw/zinc/22/28/74/571222874.db2.gz BHPZCSBGGMRBCQ-GOSISDBHSA-N 1 3 358.482 3.542 40 0 FHABHO COC[C@@H]1C[N@H+](Cc2ccsc2)CC12CCN(Cc1ccncc1)CC2 ZINC000585103225 571223433 /nfs/dbraw/zinc/22/34/33/571223433.db2.gz NQDIHRQDSQUGKS-FQEVSTJZSA-N 1 3 371.550 3.504 40 0 FHABHO COC[C@@H]1C[N@@H+](Cc2ccsc2)CC12CCN(Cc1ccncc1)CC2 ZINC000585103225 571223434 /nfs/dbraw/zinc/22/34/34/571223434.db2.gz NQDIHRQDSQUGKS-FQEVSTJZSA-N 1 3 371.550 3.504 40 0 FHABHO COC[C@H]1C[N@H+](Cc2cccs2)CC12CCN(Cc1cccnc1)CC2 ZINC000247888581 571126287 /nfs/dbraw/zinc/12/62/87/571126287.db2.gz SJFJZXCSPLNLBZ-LJQANCHMSA-N 1 3 371.550 3.504 40 0 FHABHO COC[C@H]1C[N@@H+](Cc2cccs2)CC12CCN(Cc1cccnc1)CC2 ZINC000247888581 571126290 /nfs/dbraw/zinc/12/62/90/571126290.db2.gz SJFJZXCSPLNLBZ-LJQANCHMSA-N 1 3 371.550 3.504 40 0 FHABHO COC[C@@H]1C[N@H+](Cc2ccco2)CC12CCN(Cc1ccsc1)CC2 ZINC000585103941 571222710 /nfs/dbraw/zinc/22/27/10/571222710.db2.gz UIPNZSRBUHNLMM-SFHVURJKSA-N 1 3 360.523 3.702 40 0 FHABHO COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CCN(Cc1ccsc1)CC2 ZINC000585103941 571222712 /nfs/dbraw/zinc/22/27/12/571222712.db2.gz UIPNZSRBUHNLMM-SFHVURJKSA-N 1 3 360.523 3.702 40 0 FHABHO COC[C@H]1C[N@H+](Cc2cccs2)CC12CCN(Cc1ccco1)CC2 ZINC000585102997 571223246 /nfs/dbraw/zinc/22/32/46/571223246.db2.gz KLRNCZOBTRMAMW-QGZVFWFLSA-N 1 3 360.523 3.702 40 0 FHABHO COC[C@H]1C[N@@H+](Cc2cccs2)CC12CCN(Cc1ccco1)CC2 ZINC000585102997 571223247 /nfs/dbraw/zinc/22/32/47/571223247.db2.gz KLRNCZOBTRMAMW-QGZVFWFLSA-N 1 3 360.523 3.702 40 0 FHABHO Fc1cccc(CN2CCC[C@]3(C[C@H](CNc4cc[nH+]cc4)CO3)C2)c1 ZINC000096075777 222013831 /nfs/dbraw/zinc/01/38/31/222013831.db2.gz JDTZOSNZFMVBSC-NQIIRXRSSA-N 1 3 355.457 3.704 40 0 FHABHO CC(C)[NH+]1CCC2(C[C@H](COCC3CC3)N(Cc3cccnc3)C2)CC1 ZINC000096219127 222083663 /nfs/dbraw/zinc/08/36/63/222083663.db2.gz DTMUPLFCPIZAFK-OAQYLSRUSA-N 1 3 357.542 3.573 40 0 FHABHO COC[C@@H]1CN(Cc2ccco2)CC12CC[NH+](CCc1ccccc1)CC2 ZINC000585102724 571222894 /nfs/dbraw/zinc/22/28/94/571222894.db2.gz BYNHLSLBQMXFRD-NRFANRHFSA-N 1 3 368.521 3.683 40 0 FHABHO COC[C@@H]1C[N@H+](Cc2ccsc2)CC12CCN(Cc1ccco1)CC2 ZINC000585102659 571222838 /nfs/dbraw/zinc/22/28/38/571222838.db2.gz AFPONOAHLPMYTC-SFHVURJKSA-N 1 3 360.523 3.702 40 0 FHABHO COC[C@@H]1C[N@@H+](Cc2ccsc2)CC12CCN(Cc1ccco1)CC2 ZINC000585102659 571222839 /nfs/dbraw/zinc/22/28/39/571222839.db2.gz AFPONOAHLPMYTC-SFHVURJKSA-N 1 3 360.523 3.702 40 0 FHABHO COC[C@H]1C[N@H+](Cc2ccsc2)CC12CCN(Cc1ccco1)CC2 ZINC000585102658 571222956 /nfs/dbraw/zinc/22/29/56/571222956.db2.gz AFPONOAHLPMYTC-GOSISDBHSA-N 1 3 360.523 3.702 40 0 FHABHO COC[C@H]1C[N@@H+](Cc2ccsc2)CC12CCN(Cc1ccco1)CC2 ZINC000585102658 571222958 /nfs/dbraw/zinc/22/29/58/571222958.db2.gz AFPONOAHLPMYTC-GOSISDBHSA-N 1 3 360.523 3.702 40 0 FHABHO Fc1cccc(CN2CCC[C@@]3(C[C@H](CNc4cc[nH+]cc4)CO3)C2)c1 ZINC000096075778 222014449 /nfs/dbraw/zinc/01/44/49/222014449.db2.gz JDTZOSNZFMVBSC-WIYYLYMNSA-N 1 3 355.457 3.704 40 0 FHABHO CN(Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@H](O)c1ccccc1 ZINC000585274419 570487377 /nfs/dbraw/zinc/48/73/77/570487377.db2.gz WFMXKHSGWHAWSJ-QHCPKHFHSA-N 1 3 368.521 3.717 40 0 FHABHO Cc1noc(C)c1C[N@@H+]1CCC2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000096157583 222058185 /nfs/dbraw/zinc/05/81/85/222058185.db2.gz LXDAFSUCACWYJC-UHFFFAOYSA-N 1 3 357.473 3.919 40 0 FHABHO Cc1noc(C)c1C[N@H+]1CCC2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000096157583 222058188 /nfs/dbraw/zinc/05/81/88/222058188.db2.gz LXDAFSUCACWYJC-UHFFFAOYSA-N 1 3 357.473 3.919 40 0 FHABHO CC(=O)N[C@@H]1C[N@H+](CCC2=C(C)CCCC2(C)C)C2(C1)CCN(C)CC2 ZINC000019703851 570857564 /nfs/dbraw/zinc/85/75/64/570857564.db2.gz UEZGADKAJAWHHT-IBGZPJMESA-N 1 3 361.574 3.578 40 0 FHABHO CC(=O)N[C@@H]1C[N@@H+](CCC2=C(C)CCCC2(C)C)C2(C1)CCN(C)CC2 ZINC000019703851 570857569 /nfs/dbraw/zinc/85/75/69/570857569.db2.gz UEZGADKAJAWHHT-IBGZPJMESA-N 1 3 361.574 3.578 40 0 FHABHO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000009062530 571302346 /nfs/dbraw/zinc/30/23/46/571302346.db2.gz YSYQSXWEJBDDOP-JOCHJYFZSA-N 1 3 371.569 3.669 40 0 FHABHO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000009062530 571302347 /nfs/dbraw/zinc/30/23/47/571302347.db2.gz YSYQSXWEJBDDOP-JOCHJYFZSA-N 1 3 371.569 3.669 40 0 FHABHO CN1Cc2ccccc2OC2(CCC([N@H+](C)Cc3ccccn3)CC2)C1 ZINC000019590892 220277867 /nfs/dbraw/zinc/27/78/67/220277867.db2.gz HTKJEVLCRUQWQS-UHFFFAOYSA-N 1 3 351.494 3.719 40 0 FHABHO CN1Cc2ccccc2OC2(CCC([N@@H+](C)Cc3ccccn3)CC2)C1 ZINC000019590892 220277869 /nfs/dbraw/zinc/27/78/69/220277869.db2.gz HTKJEVLCRUQWQS-UHFFFAOYSA-N 1 3 351.494 3.719 40 0 FHABHO C[NH2+]C1CCC2(CC1)CN(Cc1ccccc1OC)Cc1ccccc1O2 ZINC000019592018 220278425 /nfs/dbraw/zinc/27/84/25/220278425.db2.gz PBWHYNPVMFCBAN-UHFFFAOYSA-N 1 3 366.505 3.991 40 0 FHABHO CC(C)[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(Cc1cccnc1)CC2 ZINC000096207054 222077009 /nfs/dbraw/zinc/07/70/09/222077009.db2.gz YIEOQHMHLDHNLR-OAQYLSRUSA-N 1 3 357.542 3.573 40 0 FHABHO CC(C)[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(Cc1cccnc1)CC2 ZINC000096207054 222077010 /nfs/dbraw/zinc/07/70/10/222077010.db2.gz YIEOQHMHLDHNLR-OAQYLSRUSA-N 1 3 357.542 3.573 40 0 FHABHO Cc1ccc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)o1 ZINC000096220968 222085823 /nfs/dbraw/zinc/08/58/23/222085823.db2.gz VSQOOQYTVGXACY-HXUWFJFHSA-N 1 3 354.494 3.844 40 0 FHABHO Cc1ccc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)o1 ZINC000096220968 222085824 /nfs/dbraw/zinc/08/58/24/222085824.db2.gz VSQOOQYTVGXACY-HXUWFJFHSA-N 1 3 354.494 3.844 40 0 FHABHO CN(C)Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cc1 ZINC000012344918 570738836 /nfs/dbraw/zinc/73/88/36/570738836.db2.gz IKWCRPMLZNRWKY-AIZNXBIQSA-N 1 3 368.496 3.902 40 0 FHABHO CN(C)Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cc1 ZINC000012344918 570738838 /nfs/dbraw/zinc/73/88/38/570738838.db2.gz IKWCRPMLZNRWKY-AIZNXBIQSA-N 1 3 368.496 3.902 40 0 FHABHO COc1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC(C)(C)NC(C)(C)C2)cc1 ZINC000019460999 220261242 /nfs/dbraw/zinc/26/12/42/220261242.db2.gz HHNZGVTXKLEKBJ-SFHVURJKSA-N 1 3 360.542 3.843 40 0 FHABHO COc1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC(C)(C)NC(C)(C)C2)cc1 ZINC000019460999 220261248 /nfs/dbraw/zinc/26/12/48/220261248.db2.gz HHNZGVTXKLEKBJ-SFHVURJKSA-N 1 3 360.542 3.843 40 0 FHABHO COc1ccc(CN(C[C@@H]2CCOC2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000019460999 220261252 /nfs/dbraw/zinc/26/12/52/220261252.db2.gz HHNZGVTXKLEKBJ-SFHVURJKSA-N 1 3 360.542 3.843 40 0 FHABHO Cc1ccc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)o1 ZINC000096220966 222085527 /nfs/dbraw/zinc/08/55/27/222085527.db2.gz VSQOOQYTVGXACY-FQEVSTJZSA-N 1 3 354.494 3.844 40 0 FHABHO Cc1ccc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)o1 ZINC000096220966 222085531 /nfs/dbraw/zinc/08/55/31/222085531.db2.gz VSQOOQYTVGXACY-FQEVSTJZSA-N 1 3 354.494 3.844 40 0 FHABHO COC[C@@H]1C[N@H+](Cc2cccs2)CC12CCN(Cc1ccccn1)CC2 ZINC000247846082 571125811 /nfs/dbraw/zinc/12/58/11/571125811.db2.gz MRCNLDJJBTYBNH-SFHVURJKSA-N 1 3 371.550 3.504 40 0 FHABHO COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CCN(Cc1ccccn1)CC2 ZINC000247846082 571125815 /nfs/dbraw/zinc/12/58/15/571125815.db2.gz MRCNLDJJBTYBNH-SFHVURJKSA-N 1 3 371.550 3.504 40 0 FHABHO COC[C@H]1C[N@H+](Cc2ccsc2)CC12CCN(Cc1ccoc1)CC2 ZINC000585103556 571222508 /nfs/dbraw/zinc/22/25/08/571222508.db2.gz POGLAYFSEAUHFZ-LJQANCHMSA-N 1 3 360.523 3.702 40 0 FHABHO COC[C@H]1C[N@@H+](Cc2ccsc2)CC12CCN(Cc1ccoc1)CC2 ZINC000585103556 571222509 /nfs/dbraw/zinc/22/25/09/571222509.db2.gz POGLAYFSEAUHFZ-LJQANCHMSA-N 1 3 360.523 3.702 40 0 FHABHO COC[C@H]1C[N@H+](Cc2cccs2)CC12CCN(Cc1ccoc1)CC2 ZINC000585104247 571223926 /nfs/dbraw/zinc/22/39/26/571223926.db2.gz XCRYSKWSQSIYGQ-GOSISDBHSA-N 1 3 360.523 3.702 40 0 FHABHO COC[C@H]1C[N@@H+](Cc2cccs2)CC12CCN(Cc1ccoc1)CC2 ZINC000585104247 571223929 /nfs/dbraw/zinc/22/39/29/571223929.db2.gz XCRYSKWSQSIYGQ-GOSISDBHSA-N 1 3 360.523 3.702 40 0 FHABHO COc1cccc(C[NH+]2CCC3(CCN(Cc4ccccn4)C3)CC2)c1 ZINC000096157602 222057808 /nfs/dbraw/zinc/05/78/08/222057808.db2.gz HUMGGTDMGQBZNM-UHFFFAOYSA-N 1 3 351.494 3.578 40 0 FHABHO COc1cccc(C[NH+]2CCC3(CCN(Cc4cccnc4)CC3)CC2)c1 ZINC000096047247 570472957 /nfs/dbraw/zinc/47/29/57/570472957.db2.gz DPHVRGLKFGLBMP-UHFFFAOYSA-N 1 3 365.521 3.968 40 0 FHABHO COC[C@H]1C[N@H+](Cc2ccccn2)CC12CCN(Cc1ccsc1)CC2 ZINC000247898030 571126196 /nfs/dbraw/zinc/12/61/96/571126196.db2.gz VGJPISYSDZRTCU-LJQANCHMSA-N 1 3 371.550 3.504 40 0 FHABHO COC[C@H]1C[N@@H+](Cc2ccccn2)CC12CCN(Cc1ccsc1)CC2 ZINC000247898030 571126198 /nfs/dbraw/zinc/12/61/98/571126198.db2.gz VGJPISYSDZRTCU-LJQANCHMSA-N 1 3 371.550 3.504 40 0 FHABHO COC[C@H]1C[N@H+](Cc2ccco2)CC12CCN(Cc1ccc(F)cc1)CC2 ZINC000247879629 571126324 /nfs/dbraw/zinc/12/63/24/571126324.db2.gz PRUAQKGROQNVMU-LJQANCHMSA-N 1 3 372.484 3.779 40 0 FHABHO COC[C@H]1C[N@@H+](Cc2ccco2)CC12CCN(Cc1ccc(F)cc1)CC2 ZINC000247879629 571126327 /nfs/dbraw/zinc/12/63/27/571126327.db2.gz PRUAQKGROQNVMU-LJQANCHMSA-N 1 3 372.484 3.779 40 0 FHABHO CC1CCN([C@H](C(=O)N2CCC([NH+]3CCCC3)CC2)c2ccccc2)CC1 ZINC000019659664 220283357 /nfs/dbraw/zinc/28/33/57/220283357.db2.gz ZORMOZJDMPRBTD-QFIPXVFZSA-N 1 3 369.553 3.546 40 0 FHABHO Cc1ccc(CN[C@@H]2CC3(CC[NH+](CCO)CC3)c3ccccc32)s1 ZINC000096241500 222097388 /nfs/dbraw/zinc/09/73/88/222097388.db2.gz GFXBLAITXAFFRL-HXUWFJFHSA-N 1 3 356.535 3.617 40 0 FHABHO CC(C)[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(Cc1cccnc1)CC2 ZINC000096207055 222076998 /nfs/dbraw/zinc/07/69/98/222076998.db2.gz YIEOQHMHLDHNLR-NRFANRHFSA-N 1 3 357.542 3.573 40 0 FHABHO CC(C)[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(Cc1cccnc1)CC2 ZINC000096207055 222077001 /nfs/dbraw/zinc/07/70/01/222077001.db2.gz YIEOQHMHLDHNLR-NRFANRHFSA-N 1 3 357.542 3.573 40 0 FHABHO COC[C@@H]1C[N@H+](Cc2cccs2)CC12CCN(Cc1ccncc1)CC2 ZINC000247847010 571125850 /nfs/dbraw/zinc/12/58/50/571125850.db2.gz NGVYBXXYVAWOFM-IBGZPJMESA-N 1 3 371.550 3.504 40 0 FHABHO COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CCN(Cc1ccncc1)CC2 ZINC000247847010 571125852 /nfs/dbraw/zinc/12/58/52/571125852.db2.gz NGVYBXXYVAWOFM-IBGZPJMESA-N 1 3 371.550 3.504 40 0 FHABHO COC[C@@H]1C[N@H+](Cc2ccco2)CC12CCN(Cc1ccc(C)o1)CC2 ZINC000585102712 571222902 /nfs/dbraw/zinc/22/29/02/571222902.db2.gz BHPZCSBGGMRBCQ-SFHVURJKSA-N 1 3 358.482 3.542 40 0 FHABHO COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CCN(Cc1ccc(C)o1)CC2 ZINC000585102712 571222904 /nfs/dbraw/zinc/22/29/04/571222904.db2.gz BHPZCSBGGMRBCQ-SFHVURJKSA-N 1 3 358.482 3.542 40 0 FHABHO CN(C)CC[N@H+](C)C1CCN(Cc2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC000019582437 220276803 /nfs/dbraw/zinc/27/68/03/220276803.db2.gz LQMGRADTHBABAV-UHFFFAOYSA-N 1 3 369.528 3.951 40 0 FHABHO CN(C)CC[N@@H+](C)C1CCN(Cc2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC000019582437 220276807 /nfs/dbraw/zinc/27/68/07/220276807.db2.gz LQMGRADTHBABAV-UHFFFAOYSA-N 1 3 369.528 3.951 40 0 FHABHO COc1ccc(C[N@@H+]2CCC3(C2)CCN(Cc2ccccn2)CC3)cc1 ZINC000096157556 222058210 /nfs/dbraw/zinc/05/82/10/222058210.db2.gz BBJUMDSGTBAROT-UHFFFAOYSA-N 1 3 351.494 3.578 40 0 FHABHO COc1ccc(C[N@H+]2CCC3(C2)CCN(Cc2ccccn2)CC3)cc1 ZINC000096157556 222058214 /nfs/dbraw/zinc/05/82/14/222058214.db2.gz BBJUMDSGTBAROT-UHFFFAOYSA-N 1 3 351.494 3.578 40 0 FHABHO COC[C@H]1C[N@H+](Cc2ccsc2)CC12CCN(Cc1ccncc1)CC2 ZINC000585103239 571223386 /nfs/dbraw/zinc/22/33/86/571223386.db2.gz NQDIHRQDSQUGKS-HXUWFJFHSA-N 1 3 371.550 3.504 40 0 FHABHO COC[C@H]1C[N@@H+](Cc2ccsc2)CC12CCN(Cc1ccncc1)CC2 ZINC000585103239 571223388 /nfs/dbraw/zinc/22/33/88/571223388.db2.gz NQDIHRQDSQUGKS-HXUWFJFHSA-N 1 3 371.550 3.504 40 0 FHABHO