smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[N@H+](C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000011842449 570596281 /nfs/dbraw/zinc/59/62/81/570596281.db2.gz FFFUMZSKNYOTOM-OAQYLSRUSA-N 1 3 362.533 4.175 50 0 FIAAHO CC(C)C[N@@H+](C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000011842449 570596283 /nfs/dbraw/zinc/59/62/83/570596283.db2.gz FFFUMZSKNYOTOM-OAQYLSRUSA-N 1 3 362.533 4.175 50 0 FIAAHO C[N@H+](CCCC(F)(F)F)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000012058548 570716001 /nfs/dbraw/zinc/71/60/01/570716001.db2.gz NLPGSOAIJXXUES-UHFFFAOYSA-N 1 3 360.439 4.355 50 0 FIAAHO C[N@@H+](CCCC(F)(F)F)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000012058548 570716004 /nfs/dbraw/zinc/71/60/04/570716004.db2.gz NLPGSOAIJXXUES-UHFFFAOYSA-N 1 3 360.439 4.355 50 0 FIAAHO Cc1ccc(-c2n[nH]cc2CNCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000012547518 571178970 /nfs/dbraw/zinc/17/89/70/571178970.db2.gz LAFBDYSJOUOCAV-UHFFFAOYSA-N 1 3 360.505 4.271 50 0 FIAAHO Cc1ccc(COc2ccc(C[NH2+]C[C@H]3CCN(C4CC4)C3)cc2)cc1 ZINC000097287793 571336997 /nfs/dbraw/zinc/33/69/97/571336997.db2.gz MHKCOHSLJVIFPA-OAQYLSRUSA-N 1 3 350.506 4.148 50 0 FIAAHO COCC[N@H+](CC1CCCC1)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000020451312 523687547 /nfs/dbraw/zinc/68/75/47/523687547.db2.gz ANGIQLVZFRWOEJ-OAQYLSRUSA-N 1 3 370.581 4.004 50 0 FIAAHO COCC[N@@H+](CC1CCCC1)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000020451312 523687553 /nfs/dbraw/zinc/68/75/53/523687553.db2.gz ANGIQLVZFRWOEJ-OAQYLSRUSA-N 1 3 370.581 4.004 50 0 FIAAHO CCc1ccc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)nc1 ZINC000091987092 570444045 /nfs/dbraw/zinc/44/40/45/570444045.db2.gz APZCBWJZNGNPPY-JOCHJYFZSA-N 1 3 363.549 4.346 50 0 FIAAHO CCc1ccc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)nc1 ZINC000091987092 570444047 /nfs/dbraw/zinc/44/40/47/570444047.db2.gz APZCBWJZNGNPPY-JOCHJYFZSA-N 1 3 363.549 4.346 50 0 FIAAHO CCc1ccc(CN2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C)C3)nc1 ZINC000091987091 570443942 /nfs/dbraw/zinc/44/39/42/570443942.db2.gz APZCBWJZNGNPPY-QFIPXVFZSA-N 1 3 363.549 4.346 50 0 FIAAHO CCc1ccc(CN2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C)C3)nc1 ZINC000091987091 570443946 /nfs/dbraw/zinc/44/39/46/570443946.db2.gz APZCBWJZNGNPPY-QFIPXVFZSA-N 1 3 363.549 4.346 50 0 FIAAHO CC1CC(C)C[NH+](CCCCNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000058971863 205280147 /nfs/dbraw/zinc/28/01/47/205280147.db2.gz WPGLFWXZMWUNLA-CALCHBBNSA-N 1 3 362.945 4.246 50 0 FIAAHO C[NH+](C)CCCOc1ccccc1CN1CCC(c2cccc(O)c2)CC1 ZINC000216295623 206358470 /nfs/dbraw/zinc/35/84/70/206358470.db2.gz LFCYAKFFSVHXEO-UHFFFAOYSA-N 1 3 368.521 4.102 50 0 FIAAHO C[C@H](C1CCN(Cc2cc(CN3CCCC3)cs2)CC1)[NH+]1CCCC1 ZINC000072422886 571193527 /nfs/dbraw/zinc/19/35/27/571193527.db2.gz OKXLSJJAGQVETA-GOSISDBHSA-N 1 3 361.599 4.040 50 0 FIAAHO C[C@@]12Cc3nc4ccccc4c(N)c3[C@@]1(C)Cc1[nH+]c3ccccc3c(N)c12 ZINC000008242901 571360030 /nfs/dbraw/zinc/36/00/30/571360030.db2.gz RPTYJCYZONUDMU-PSWAGMNNSA-N 1 3 366.468 4.275 50 0 FIAAHO C[C@@]12Cc3[nH+]c4ccccc4c(N)c3[C@@]1(C)Cc1nc3ccccc3c(N)c12 ZINC000008242901 571360031 /nfs/dbraw/zinc/36/00/31/571360031.db2.gz RPTYJCYZONUDMU-PSWAGMNNSA-N 1 3 366.468 4.275 50 0 FIAAHO Fc1cc2cccnc2c(CN2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000057890558 205246135 /nfs/dbraw/zinc/24/61/35/205246135.db2.gz JRMSAKUHSJXXGT-UHFFFAOYSA-N 1 3 355.501 4.462 50 0 FIAAHO Brc1ccc(C[NH2+]CCC2CCN(c3ccncc3)CC2)cc1 ZINC000095462167 532963084 /nfs/dbraw/zinc/96/30/84/532963084.db2.gz FSMSYSJSFYBQEB-UHFFFAOYSA-N 1 3 374.326 4.240 50 0 FIAAHO CCOc1ccccc1C[N@H+](C)CC1CCN(Cc2ccc(C)o2)CC1 ZINC000012470408 570748717 /nfs/dbraw/zinc/74/87/17/570748717.db2.gz HAITZGLHVIOIBI-UHFFFAOYSA-N 1 3 356.510 4.331 50 0 FIAAHO CCOc1ccccc1C[N@@H+](C)CC1CCN(Cc2ccc(C)o2)CC1 ZINC000012470408 570748718 /nfs/dbraw/zinc/74/87/18/570748718.db2.gz HAITZGLHVIOIBI-UHFFFAOYSA-N 1 3 356.510 4.331 50 0 FIAAHO c1sc(CN2CCC[C@@H](C[NH+]3CCCCC3)C2)cc1CN1CCCC1 ZINC000077555201 571215331 /nfs/dbraw/zinc/21/53/31/571215331.db2.gz YRMWCYQTPAFJCS-IBGZPJMESA-N 1 3 361.599 4.042 50 0 FIAAHO Cc1cccc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n1 ZINC000015072700 220145203 /nfs/dbraw/zinc/14/52/03/220145203.db2.gz LMXLJZLSKORTGG-QHCPKHFHSA-N 1 3 371.569 4.026 50 0 FIAAHO COc1ccc(C[N@H+](C)[C@H](C)Cc2ncccc2C)cc1CN1CCCC1 ZINC000215322759 206345825 /nfs/dbraw/zinc/34/58/25/206345825.db2.gz CDMTXXWFZPTXHN-LJQANCHMSA-N 1 3 367.537 4.057 50 0 FIAAHO COc1ccc(C[N@@H+](C)[C@H](C)Cc2ncccc2C)cc1CN1CCCC1 ZINC000215322759 206345828 /nfs/dbraw/zinc/34/58/28/206345828.db2.gz CDMTXXWFZPTXHN-LJQANCHMSA-N 1 3 367.537 4.057 50 0 FIAAHO CN(C)Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000215333147 206346142 /nfs/dbraw/zinc/34/61/42/206346142.db2.gz KAZKFVDSPJVIBG-HSZRJFAPSA-N 1 3 360.505 4.271 50 0 FIAAHO CN(C)Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000215333147 206346147 /nfs/dbraw/zinc/34/61/47/206346147.db2.gz KAZKFVDSPJVIBG-HSZRJFAPSA-N 1 3 360.505 4.271 50 0 FIAAHO c1ccc([C@@H]2C[N@@H+](C3CC3)CC3(CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000095371246 570456180 /nfs/dbraw/zinc/45/61/80/570456180.db2.gz RETBOSKWMCMACX-NRFANRHFSA-N 1 3 361.533 4.316 50 0 FIAAHO c1ccc([C@@H]2C[N@H+](C3CC3)CC3(CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000095371246 570456184 /nfs/dbraw/zinc/45/61/84/570456184.db2.gz RETBOSKWMCMACX-NRFANRHFSA-N 1 3 361.533 4.316 50 0 FIAAHO CCc1ccc(C[N@H+](C)CC2CCN(CCc3cccc(F)c3)CC2)o1 ZINC000012709022 570757165 /nfs/dbraw/zinc/75/71/65/570757165.db2.gz YWYXBTWWLNQTPB-UHFFFAOYSA-N 1 3 358.501 4.368 50 0 FIAAHO CCc1ccc(C[N@@H+](C)CC2CCN(CCc3cccc(F)c3)CC2)o1 ZINC000012709022 570757169 /nfs/dbraw/zinc/75/71/69/570757169.db2.gz YWYXBTWWLNQTPB-UHFFFAOYSA-N 1 3 358.501 4.368 50 0 FIAAHO COc1ccc2[nH+]c(C)cc(Nc3ccc(N4CCN(C)CC4)cc3)c2c1 ZINC000000759159 537048285 /nfs/dbraw/zinc/04/82/85/537048285.db2.gz ASKCBXWBXOEPCF-UHFFFAOYSA-N 1 3 362.477 4.047 50 0 FIAAHO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3cccc(O)c3)CC2)C1 ZINC000092046490 570446071 /nfs/dbraw/zinc/44/60/71/570446071.db2.gz KUHAVWVCCALBIS-JOCHJYFZSA-N 1 3 364.533 4.484 50 0 FIAAHO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3cccc(O)c3)CC2)C1 ZINC000092046490 570446075 /nfs/dbraw/zinc/44/60/75/570446075.db2.gz KUHAVWVCCALBIS-JOCHJYFZSA-N 1 3 364.533 4.484 50 0 FIAAHO Fc1cccc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000011720197 570592620 /nfs/dbraw/zinc/59/26/20/570592620.db2.gz XETGJXRJNHAARW-HSZRJFAPSA-N 1 3 374.544 4.461 50 0 FIAAHO Fc1ccccc1CN(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012387562 570741429 /nfs/dbraw/zinc/74/14/29/570741429.db2.gz MTGQEPSZWKLXMM-JOCHJYFZSA-N 1 3 374.544 4.461 50 0 FIAAHO COc1ccc([C@@H](CNc2cc(C)[nH+]c3ccccc23)N(C)C)cc1OC ZINC000089583099 571212636 /nfs/dbraw/zinc/21/26/36/571212636.db2.gz UXBXREGAYUZMQH-HXUWFJFHSA-N 1 3 365.477 4.275 50 0 FIAAHO COCC[N@@H+]1CCC[C@@]2(CCN(Cc3ccccc3-c3ccc(C)o3)C2)C1 ZINC000011842436 1125227341 /nfs/dbraw/zinc/22/73/41/1125227341.db2.gz QEKDCFNZSWTPPA-HSZRJFAPSA-N 1 3 368.521 4.189 50 0 FIAAHO COCC[N@H+]1CCC[C@@]2(CCN(Cc3ccccc3-c3ccc(C)o3)C2)C1 ZINC000011842436 1125227346 /nfs/dbraw/zinc/22/73/46/1125227346.db2.gz QEKDCFNZSWTPPA-HSZRJFAPSA-N 1 3 368.521 4.189 50 0 FIAAHO COC(=O)CC[C@H]1C[N@H+](CCC2=C(C)CCCC2(C)C)CC[C@H]1N(C)C ZINC000014996534 570828471 /nfs/dbraw/zinc/82/84/71/570828471.db2.gz AQBXGMFMNJZZEF-AZUAARDMSA-N 1 3 364.574 4.108 50 0 FIAAHO COC(=O)CC[C@H]1C[N@@H+](CCC2=C(C)CCCC2(C)C)CC[C@H]1N(C)C ZINC000014996534 570828472 /nfs/dbraw/zinc/82/84/72/570828472.db2.gz AQBXGMFMNJZZEF-AZUAARDMSA-N 1 3 364.574 4.108 50 0 FIAAHO COC(=O)CC[C@H]1CN(CCC2=C(C)CCCC2(C)C)CC[C@H]1[NH+](C)C ZINC000014996534 570828473 /nfs/dbraw/zinc/82/84/73/570828473.db2.gz AQBXGMFMNJZZEF-AZUAARDMSA-N 1 3 364.574 4.108 50 0 FIAAHO c1ccc(CC2CCN(Cc3ccc(OC4CC[NH2+]CC4)cc3)CC2)cc1 ZINC000299783362 571198701 /nfs/dbraw/zinc/19/87/01/571198701.db2.gz ZVVDSUCFVHSQFY-UHFFFAOYSA-N 1 3 364.533 4.272 50 0 FIAAHO COc1cc(CN2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)ccc1O ZINC000072479753 571199780 /nfs/dbraw/zinc/19/97/80/571199780.db2.gz NDSQVVVZGWFELT-FQEVSTJZSA-N 1 3 354.494 4.190 50 0 FIAAHO CC(C)OC1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000230234249 571344759 /nfs/dbraw/zinc/34/47/59/571344759.db2.gz SKPYXSFULBZORD-FQUXPLTJSA-N 1 3 356.554 4.223 50 0 FIAAHO c1ccc([C@H]2C[N@@H+](C3CC3)CC3(CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000095371245 209035538 /nfs/dbraw/zinc/03/55/38/209035538.db2.gz RETBOSKWMCMACX-OAQYLSRUSA-N 1 3 361.533 4.316 50 0 FIAAHO c1ccc([C@H]2C[N@H+](C3CC3)CC3(CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000095371245 209035545 /nfs/dbraw/zinc/03/55/45/209035545.db2.gz RETBOSKWMCMACX-OAQYLSRUSA-N 1 3 361.533 4.316 50 0 FIAAHO Cc1ncsc1CN1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C)C2 ZINC000091321504 571239047 /nfs/dbraw/zinc/23/90/47/571239047.db2.gz PZGICSPQAQDGNE-LJQANCHMSA-N 1 3 355.551 4.153 50 0 FIAAHO Cc1ncsc1CN1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C)C2 ZINC000091321504 571239049 /nfs/dbraw/zinc/23/90/49/571239049.db2.gz PZGICSPQAQDGNE-LJQANCHMSA-N 1 3 355.551 4.153 50 0 FIAAHO Cc1ncsc1CN1CCC2(C[N@@H+](C(C)C)[C@@H]2c2ccccc2)CC1 ZINC000257185793 1090299343 /nfs/dbraw/zinc/29/93/43/1090299343.db2.gz JUQPPMCGTRNBEG-HXUWFJFHSA-N 1 3 355.551 4.499 50 0 FIAAHO Cc1ncsc1CN1CCC2(C[N@H+](C(C)C)[C@@H]2c2ccccc2)CC1 ZINC000257185793 1090299350 /nfs/dbraw/zinc/29/93/50/1090299350.db2.gz JUQPPMCGTRNBEG-HXUWFJFHSA-N 1 3 355.551 4.499 50 0 FIAAHO CC12Cc3nc4ccccc4c(N)c3C1(C)c1c([nH+]c3ccccc3c1N)C2 ZINC000004648869 207033375 /nfs/dbraw/zinc/03/33/75/207033375.db2.gz UJHYGAUMCLNIGC-UHFFFAOYSA-N 1 3 366.468 4.372 50 0 FIAAHO Oc1cc(CC[C@@H]2CCCC[NH2+]2)cc(-c2ccc(CN3CCCC3)cn2)c1 ZINC000071764853 571166095 /nfs/dbraw/zinc/16/60/95/571166095.db2.gz OKEXSQBQZUKDDP-NRFANRHFSA-N 1 3 365.521 4.125 50 0 FIAAHO c1ccc(C2CCN(Cc3ccc(OC[C@@H]4CCC[NH2+]C4)cc3)CC2)cc1 ZINC000299758848 571192805 /nfs/dbraw/zinc/19/28/05/571192805.db2.gz QXRQAIDAMFMOHM-OAQYLSRUSA-N 1 3 364.533 4.445 50 0 FIAAHO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3ccc(O)cc3)CC2)C1 ZINC000091725891 571243012 /nfs/dbraw/zinc/24/30/12/571243012.db2.gz JJUABYMWHHAIDK-JOCHJYFZSA-N 1 3 364.533 4.484 50 0 FIAAHO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3ccc(O)cc3)CC2)C1 ZINC000091725891 571243013 /nfs/dbraw/zinc/24/30/13/571243013.db2.gz JJUABYMWHHAIDK-JOCHJYFZSA-N 1 3 364.533 4.484 50 0 FIAAHO CC1(C)CC(n2cc(O)c(-c3nc4ccccc4s3)c2N)CC(C)(C)[NH2+]1 ZINC000252535771 571282778 /nfs/dbraw/zinc/28/27/78/571282778.db2.gz GVMJGUCNOGBCIH-UHFFFAOYSA-N 1 3 370.522 4.167 50 0 FIAAHO CC1=C(CC[NH+]2CCC(n3cc(C(C)(C)N)nn3)CC2)C(C)(C)CCC1 ZINC000023339404 1084004732 /nfs/dbraw/zinc/00/47/32/1084004732.db2.gz YZDCONZLTSMBLQ-UHFFFAOYSA-N 1 3 359.562 4.026 50 0 FIAAHO Fc1cccc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000011720190 207320202 /nfs/dbraw/zinc/32/02/02/207320202.db2.gz XETGJXRJNHAARW-QHCPKHFHSA-N 1 3 374.544 4.461 50 0 FIAAHO Cc1c(F)cccc1C[N@@H+]1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 ZINC000011938531 207331465 /nfs/dbraw/zinc/33/14/65/207331465.db2.gz OZWKXNZWPCQIOM-QFIPXVFZSA-N 1 3 367.512 4.263 50 0 FIAAHO Cc1c(F)cccc1C[N@H+]1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 ZINC000011938531 207331469 /nfs/dbraw/zinc/33/14/69/207331469.db2.gz OZWKXNZWPCQIOM-QFIPXVFZSA-N 1 3 367.512 4.263 50 0 FIAAHO C[N@@H+](Cc1ccc(F)cc1)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000011878476 207327036 /nfs/dbraw/zinc/32/70/36/207327036.db2.gz DOHVWEOYFRPXMF-UHFFFAOYSA-N 1 3 358.476 4.351 50 0 FIAAHO C[N@H+](Cc1ccc(F)cc1)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000011878476 207327039 /nfs/dbraw/zinc/32/70/39/207327039.db2.gz DOHVWEOYFRPXMF-UHFFFAOYSA-N 1 3 358.476 4.351 50 0 FIAAHO CC(=O)c1cccc(C[N@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)c1 ZINC000012466288 207380947 /nfs/dbraw/zinc/38/09/47/207380947.db2.gz BUBUIZQGVPJPLZ-UHFFFAOYSA-N 1 3 354.494 4.135 50 0 FIAAHO CC(=O)c1cccc(C[N@@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)c1 ZINC000012466288 207380952 /nfs/dbraw/zinc/38/09/52/207380952.db2.gz BUBUIZQGVPJPLZ-UHFFFAOYSA-N 1 3 354.494 4.135 50 0 FIAAHO CC(=O)c1cc(CN(CCc2ccccc2)CC2CC[NH+](C)CC2)cs1 ZINC000012748230 570759478 /nfs/dbraw/zinc/75/94/78/570759478.db2.gz FQTOLNRFUSTLMR-UHFFFAOYSA-N 1 3 370.562 4.337 50 0 FIAAHO Cn1ncc(CN2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)c1C1CC1 ZINC000072406814 571191193 /nfs/dbraw/zinc/19/11/93/571191193.db2.gz YZYGPNUYSMWRMD-NRFANRHFSA-N 1 3 352.526 4.086 50 0 FIAAHO CN(C)C[C@H]1C[C@H](CO)C[N@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC000091474360 571240118 /nfs/dbraw/zinc/24/01/18/571240118.db2.gz GDDFNYVDSFFTHR-SJORKVTESA-N 1 3 368.546 4.047 50 0 FIAAHO CN(C)C[C@H]1C[C@H](CO)C[N@@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC000091474360 571240119 /nfs/dbraw/zinc/24/01/19/571240119.db2.gz GDDFNYVDSFFTHR-SJORKVTESA-N 1 3 368.546 4.047 50 0 FIAAHO C[NH+](C)C[C@H]1C[C@H](CO)CN(Cc2cccc3c4ccccc4sc32)C1 ZINC000091474360 571240121 /nfs/dbraw/zinc/24/01/21/571240121.db2.gz GDDFNYVDSFFTHR-SJORKVTESA-N 1 3 368.546 4.047 50 0 FIAAHO COCC[N@H+](CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CC=CCC1 ZINC000011840379 207325700 /nfs/dbraw/zinc/32/57/00/207325700.db2.gz HFYZEUNVUMSYLZ-HXUWFJFHSA-N 1 3 374.544 4.342 50 0 FIAAHO COCC[N@@H+](CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CC=CCC1 ZINC000011840379 207325704 /nfs/dbraw/zinc/32/57/04/207325704.db2.gz HFYZEUNVUMSYLZ-HXUWFJFHSA-N 1 3 374.544 4.342 50 0 FIAAHO c1ccc([C@@H]2C[N@@H+](C3CC3)CC3(CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000095384967 209043046 /nfs/dbraw/zinc/04/30/46/209043046.db2.gz GPNJNGQTXLRBLB-QFIPXVFZSA-N 1 3 361.533 4.316 50 0 FIAAHO c1ccc([C@@H]2C[N@H+](C3CC3)CC3(CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000095384967 209043049 /nfs/dbraw/zinc/04/30/49/209043049.db2.gz GPNJNGQTXLRBLB-QFIPXVFZSA-N 1 3 361.533 4.316 50 0 FIAAHO C[N@H+](CC1CCN(c2ccncc2)CC1)[C@H]1CCc2c1cc(F)cc2F ZINC000095452701 132211117 /nfs/dbraw/zinc/21/11/17/132211117.db2.gz UXGALQLVPUFPIP-NRFANRHFSA-N 1 3 357.448 4.196 50 0 FIAAHO C[N@@H+](CC1CCN(c2ccncc2)CC1)[C@H]1CCc2c1cc(F)cc2F ZINC000095452701 132211118 /nfs/dbraw/zinc/21/11/18/132211118.db2.gz UXGALQLVPUFPIP-NRFANRHFSA-N 1 3 357.448 4.196 50 0 FIAAHO CCN(Cc1cccnc1)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000015067164 570831062 /nfs/dbraw/zinc/83/10/62/570831062.db2.gz ODOZRCASVMSFOH-UHFFFAOYSA-N 1 3 351.538 4.167 50 0 FIAAHO Cc1ncsc1CN1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C)C2 ZINC000091321502 571239100 /nfs/dbraw/zinc/23/91/00/571239100.db2.gz PZGICSPQAQDGNE-IBGZPJMESA-N 1 3 355.551 4.153 50 0 FIAAHO Cc1ncsc1CN1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C)C2 ZINC000091321502 571239101 /nfs/dbraw/zinc/23/91/01/571239101.db2.gz PZGICSPQAQDGNE-IBGZPJMESA-N 1 3 355.551 4.153 50 0 FIAAHO Fc1ccc(-c2n[nH]cc2CNCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000012540201 207388240 /nfs/dbraw/zinc/38/82/40/207388240.db2.gz NNHULDVXAITHAB-UHFFFAOYSA-N 1 3 364.468 4.101 50 0 FIAAHO Cn1ncc(CN2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c1C1CC1 ZINC000072406813 571191177 /nfs/dbraw/zinc/19/11/77/571191177.db2.gz YZYGPNUYSMWRMD-OAQYLSRUSA-N 1 3 352.526 4.086 50 0 FIAAHO c1sc(CN2CCC[C@H](C[NH+]3CCCCC3)C2)cc1CN1CCCC1 ZINC000077555195 571215387 /nfs/dbraw/zinc/21/53/87/571215387.db2.gz YRMWCYQTPAFJCS-LJQANCHMSA-N 1 3 361.599 4.042 50 0 FIAAHO CC(C)C[N@H+](C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000011842448 207325221 /nfs/dbraw/zinc/32/52/21/207325221.db2.gz FFFUMZSKNYOTOM-NRFANRHFSA-N 1 3 362.533 4.175 50 0 FIAAHO CC(C)C[N@@H+](C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000011842448 207325223 /nfs/dbraw/zinc/32/52/23/207325223.db2.gz FFFUMZSKNYOTOM-NRFANRHFSA-N 1 3 362.533 4.175 50 0 FIAAHO Cc1nccn1CCN(C)Cc1cc(C)cc(C[N@H+]2CCC[C@H](C)C2)c1C ZINC000216296544 568117129 /nfs/dbraw/zinc/11/71/29/568117129.db2.gz XPPVQLBADSKETI-SFHVURJKSA-N 1 3 368.569 4.172 50 0 FIAAHO Cc1nccn1CCN(C)Cc1cc(C)cc(C[N@@H+]2CCC[C@H](C)C2)c1C ZINC000216296544 568117130 /nfs/dbraw/zinc/11/71/30/568117130.db2.gz XPPVQLBADSKETI-SFHVURJKSA-N 1 3 368.569 4.172 50 0 FIAAHO c1ccc([C@@H]2C[N@@H+](C3CC3)CC3(CCN(Cc4cccnc4)CC3)C2)cc1 ZINC000095355854 209024665 /nfs/dbraw/zinc/02/46/65/209024665.db2.gz QAIZKDVUVKIMNY-QFIPXVFZSA-N 1 3 361.533 4.316 50 0 FIAAHO c1ccc([C@@H]2C[N@H+](C3CC3)CC3(CCN(Cc4cccnc4)CC3)C2)cc1 ZINC000095355854 209024669 /nfs/dbraw/zinc/02/46/69/209024669.db2.gz QAIZKDVUVKIMNY-QFIPXVFZSA-N 1 3 361.533 4.316 50 0 FIAAHO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(CCc3ccccn3)CC2)C1 ZINC000091725383 571242892 /nfs/dbraw/zinc/24/28/92/571242892.db2.gz AKWZBPLNXBAQMU-JOCHJYFZSA-N 1 3 363.549 4.216 50 0 FIAAHO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(CCc3ccccn3)CC2)C1 ZINC000091725383 571242893 /nfs/dbraw/zinc/24/28/93/571242893.db2.gz AKWZBPLNXBAQMU-JOCHJYFZSA-N 1 3 363.549 4.216 50 0 FIAAHO COc1cc(F)ccc1C[N@H+](C)CC1CCN(Cc2ccc(C)o2)CC1 ZINC000012581559 207399188 /nfs/dbraw/zinc/39/91/88/207399188.db2.gz DIQWLKRYNLGVMM-UHFFFAOYSA-N 1 3 360.473 4.080 50 0 FIAAHO COc1cc(F)ccc1C[N@@H+](C)CC1CCN(Cc2ccc(C)o2)CC1 ZINC000012581559 207399194 /nfs/dbraw/zinc/39/91/94/207399194.db2.gz DIQWLKRYNLGVMM-UHFFFAOYSA-N 1 3 360.473 4.080 50 0 FIAAHO Cc1cc(N)c2cc(NC(=O)Nc3ccc4[nH+]c(C)cc(N)c4c3)ccc2n1 ZINC000022910880 207824989 /nfs/dbraw/zinc/82/49/89/207824989.db2.gz HOUSDILKOJMENG-UHFFFAOYSA-N 1 3 372.432 4.208 50 0 in-man FIAAHO c1ccc(C2CCN(Cc3ccc(OC[C@H]4CCC[NH2+]C4)cc3)CC2)cc1 ZINC000299758847 571192867 /nfs/dbraw/zinc/19/28/67/571192867.db2.gz QXRQAIDAMFMOHM-NRFANRHFSA-N 1 3 364.533 4.445 50 0 FIAAHO COc1ccc(F)c(CN(CCc2ccccc2)CC2CC[NH+](C)CC2)c1 ZINC000011719215 570706375 /nfs/dbraw/zinc/70/63/75/570706375.db2.gz VDDDVHQXWVMXHK-UHFFFAOYSA-N 1 3 370.512 4.221 50 0 FIAAHO COc1cc(C[N@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)ccc1F ZINC000012836253 570765306 /nfs/dbraw/zinc/76/53/06/570765306.db2.gz SEIOQHOMKLZFBW-UHFFFAOYSA-N 1 3 360.473 4.080 50 0 FIAAHO COc1cc(C[N@@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)ccc1F ZINC000012836253 570765308 /nfs/dbraw/zinc/76/53/08/570765308.db2.gz SEIOQHOMKLZFBW-UHFFFAOYSA-N 1 3 360.473 4.080 50 0 FIAAHO CCOc1cc(CNCc2ccc(C[NH+](C)C)cc2)ccc1OCC(C)C ZINC000008324791 219859660 /nfs/dbraw/zinc/85/96/60/219859660.db2.gz KGQPWKFSGUUAIY-UHFFFAOYSA-N 1 3 370.537 4.472 50 0 FIAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3cc4ccccc4[nH]3)CC2)o1 ZINC000012711246 220020350 /nfs/dbraw/zinc/02/03/50/220020350.db2.gz MXMOOBXDZKXMSB-UHFFFAOYSA-N 1 3 351.494 4.413 50 0 FIAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3cc4ccccc4[nH]3)CC2)o1 ZINC000012711246 220020353 /nfs/dbraw/zinc/02/03/53/220020353.db2.gz MXMOOBXDZKXMSB-UHFFFAOYSA-N 1 3 351.494 4.413 50 0 FIAAHO COc1ccc(CCN2CCC[C@@H](C[N@H+](C)Cc3ccc(C)s3)C2)cc1 ZINC000019225236 211206875 /nfs/dbraw/zinc/20/68/75/211206875.db2.gz GJZIMTGYOBMAGV-FQEVSTJZSA-N 1 3 372.578 4.452 50 0 FIAAHO COc1ccc(CCN2CCC[C@@H](C[N@@H+](C)Cc3ccc(C)s3)C2)cc1 ZINC000019225236 211206880 /nfs/dbraw/zinc/20/68/80/211206880.db2.gz GJZIMTGYOBMAGV-FQEVSTJZSA-N 1 3 372.578 4.452 50 0 FIAAHO c1ccc([C@H]2C[N@@H+](C3CC3)CC3(CCN(Cc4cccnc4)CC3)C2)cc1 ZINC000095355853 570452635 /nfs/dbraw/zinc/45/26/35/570452635.db2.gz QAIZKDVUVKIMNY-JOCHJYFZSA-N 1 3 361.533 4.316 50 0 FIAAHO c1ccc([C@H]2C[N@H+](C3CC3)CC3(CCN(Cc4cccnc4)CC3)C2)cc1 ZINC000095355853 570452638 /nfs/dbraw/zinc/45/26/38/570452638.db2.gz QAIZKDVUVKIMNY-JOCHJYFZSA-N 1 3 361.533 4.316 50 0 FIAAHO c1csc([C@@H](CNC2CC[NH+](Cc3ccccc3)CC2)N2CCCC2)c1 ZINC000022934046 570803349 /nfs/dbraw/zinc/80/33/49/570803349.db2.gz QPOVGMHIXVPFSR-OAQYLSRUSA-N 1 3 369.578 4.139 50 0 FIAAHO COc1cc(CN2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)ccc1O ZINC000072479754 571199748 /nfs/dbraw/zinc/19/97/48/571199748.db2.gz NDSQVVVZGWFELT-HXUWFJFHSA-N 1 3 354.494 4.190 50 0 FIAAHO CC(C)OC1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000096003193 571333740 /nfs/dbraw/zinc/33/37/40/571333740.db2.gz SKPYXSFULBZORD-VXGVFTFCSA-N 1 3 356.554 4.223 50 0 FIAAHO COc1ccc(C[N@H+](C)[C@@H](C)Cc2ncccc2C)cc1CN1CCCC1 ZINC000215322805 568063846 /nfs/dbraw/zinc/06/38/46/568063846.db2.gz CDMTXXWFZPTXHN-IBGZPJMESA-N 1 3 367.537 4.057 50 0 FIAAHO COc1ccc(C[N@@H+](C)[C@@H](C)Cc2ncccc2C)cc1CN1CCCC1 ZINC000215322805 568063847 /nfs/dbraw/zinc/06/38/47/568063847.db2.gz CDMTXXWFZPTXHN-IBGZPJMESA-N 1 3 367.537 4.057 50 0 FIAAHO C[C@@]12Cc3nc4ccccc4c(N)c3[C@]1(C)Cc1[nH+]c3ccccc3c(N)c12 ZINC000004648868 570598364 /nfs/dbraw/zinc/59/83/64/570598364.db2.gz RPTYJCYZONUDMU-ZEQRLZLVSA-N 1 3 366.468 4.275 50 0 FIAAHO C[NH+](C)Cc1ccc(CNCc2ccc(-n3cnc4ccccc43)cc2)cc1 ZINC000008025004 571358510 /nfs/dbraw/zinc/35/85/10/571358510.db2.gz NNULUKWEZNKOBA-UHFFFAOYSA-N 1 3 370.500 4.377 50 0 FIAAHO CN(C)Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000215333106 568064372 /nfs/dbraw/zinc/06/43/72/568064372.db2.gz KAZKFVDSPJVIBG-QHCPKHFHSA-N 1 3 360.505 4.271 50 0 FIAAHO CN(C)Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000215333106 568064373 /nfs/dbraw/zinc/06/43/73/568064373.db2.gz KAZKFVDSPJVIBG-QHCPKHFHSA-N 1 3 360.505 4.271 50 0 FIAAHO CCN(Cc1ccncc1)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000012307078 570734911 /nfs/dbraw/zinc/73/49/11/570734911.db2.gz GFJURNIMGGYZPT-UHFFFAOYSA-N 1 3 351.538 4.167 50 0 FIAAHO COc1ccc([C@H](CNc2cc(C)[nH+]c3ccccc23)N(C)C)cc1OC ZINC000089583097 571212690 /nfs/dbraw/zinc/21/26/90/571212690.db2.gz UXBXREGAYUZMQH-FQEVSTJZSA-N 1 3 365.477 4.275 50 0 FIAAHO Cc1cc2c3ccc(CN4CCCCC4)n3ccn2c1C[NH+]1CCCCC1 ZINC000005697969 210635937 /nfs/dbraw/zinc/63/59/37/210635937.db2.gz WURDFLGQVKGWON-UHFFFAOYSA-N 1 3 364.537 4.472 50 0 FIAAHO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3cccc(C)n3)CC2)C1 ZINC000091494089 571240290 /nfs/dbraw/zinc/24/02/90/571240290.db2.gz PBVAYXNMSWMVRB-QFIPXVFZSA-N 1 3 363.549 4.482 50 0 FIAAHO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3cccc(C)n3)CC2)C1 ZINC000091494089 571240291 /nfs/dbraw/zinc/24/02/91/571240291.db2.gz PBVAYXNMSWMVRB-QFIPXVFZSA-N 1 3 363.549 4.482 50 0 FIAAHO CC(C)OC1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000230234259 571344771 /nfs/dbraw/zinc/34/47/71/571344771.db2.gz SKPYXSFULBZORD-DSKNIHGZSA-N 1 3 356.554 4.223 50 0 FIAAHO COCC[N@@H+]1CCC[C@]2(CCN(Cc3ccccc3-c3ccc(C)o3)C2)C1 ZINC000011842435 1125227139 /nfs/dbraw/zinc/22/71/39/1125227139.db2.gz QEKDCFNZSWTPPA-QHCPKHFHSA-N 1 3 368.521 4.189 50 0 FIAAHO COCC[N@H+]1CCC[C@]2(CCN(Cc3ccccc3-c3ccc(C)o3)C2)C1 ZINC000011842435 1125227143 /nfs/dbraw/zinc/22/71/43/1125227143.db2.gz QEKDCFNZSWTPPA-QHCPKHFHSA-N 1 3 368.521 4.189 50 0 FIAAHO c1csc([C@H](CNC2CC[NH+](Cc3ccccc3)CC2)N2CCCC2)c1 ZINC000022934042 570803151 /nfs/dbraw/zinc/80/31/51/570803151.db2.gz QPOVGMHIXVPFSR-NRFANRHFSA-N 1 3 369.578 4.139 50 0 FIAAHO Cc1cccc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n1 ZINC000015072702 220146423 /nfs/dbraw/zinc/14/64/23/220146423.db2.gz LMXLJZLSKORTGG-HSZRJFAPSA-N 1 3 371.569 4.026 50 0 FIAAHO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3c(C)noc3C)CC2)C1 ZINC000091847136 570440581 /nfs/dbraw/zinc/44/05/81/570440581.db2.gz UOAHVTOUUZFLHG-NRFANRHFSA-N 1 3 367.537 4.383 50 0 FIAAHO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3c(C)noc3C)CC2)C1 ZINC000091847136 570440582 /nfs/dbraw/zinc/44/05/82/570440582.db2.gz UOAHVTOUUZFLHG-NRFANRHFSA-N 1 3 367.537 4.383 50 0 FIAAHO c1ccc([C@H]2C[N@@H+](C3CC3)CC3(CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000095384966 570460140 /nfs/dbraw/zinc/46/01/40/570460140.db2.gz GPNJNGQTXLRBLB-JOCHJYFZSA-N 1 3 361.533 4.316 50 0 FIAAHO c1ccc([C@H]2C[N@H+](C3CC3)CC3(CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000095384966 570460145 /nfs/dbraw/zinc/46/01/45/570460145.db2.gz GPNJNGQTXLRBLB-JOCHJYFZSA-N 1 3 361.533 4.316 50 0 FIAAHO Fc1ccccc1CN(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012387561 570741255 /nfs/dbraw/zinc/74/12/55/570741255.db2.gz MTGQEPSZWKLXMM-QFIPXVFZSA-N 1 3 374.544 4.461 50 0 FIAAHO c1coc([C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)N2CCCCC2)c1 ZINC000022934054 570803218 /nfs/dbraw/zinc/80/32/18/570803218.db2.gz SLJDKNNRKFJUPL-JOCHJYFZSA-N 1 3 367.537 4.061 50 0 FIAAHO c1coc([C@@H](CNC2CC[NH+](Cc3ccccc3)CC2)N2CCCCC2)c1 ZINC000022934054 570803223 /nfs/dbraw/zinc/80/32/23/570803223.db2.gz SLJDKNNRKFJUPL-JOCHJYFZSA-N 1 3 367.537 4.061 50 0 FIAAHO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3ccc(O)cc3)CC2)C1 ZINC000091725893 571242919 /nfs/dbraw/zinc/24/29/19/571242919.db2.gz JJUABYMWHHAIDK-QFIPXVFZSA-N 1 3 364.533 4.484 50 0 FIAAHO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3ccc(O)cc3)CC2)C1 ZINC000091725893 571242921 /nfs/dbraw/zinc/24/29/21/571242921.db2.gz JJUABYMWHHAIDK-QFIPXVFZSA-N 1 3 364.533 4.484 50 0 FIAAHO COc1ccccc1CCN1CCC(C[N@H+](C)C/C=C/c2ccco2)CC1 ZINC000014969015 220137493 /nfs/dbraw/zinc/13/74/93/220137493.db2.gz ITMRWKXMVMSJQH-VMPITWQZSA-N 1 3 368.521 4.188 50 0 FIAAHO COc1ccccc1CCN1CCC(C[N@@H+](C)C/C=C/c2ccco2)CC1 ZINC000014969015 220137495 /nfs/dbraw/zinc/13/74/95/220137495.db2.gz ITMRWKXMVMSJQH-VMPITWQZSA-N 1 3 368.521 4.188 50 0 FIAAHO c1cc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cs1 ZINC000015074297 220145714 /nfs/dbraw/zinc/14/57/14/220145714.db2.gz BVIVIKHUAJXQOL-NRFANRHFSA-N 1 3 362.583 4.384 50 0 FIAAHO CN(Cc1cncs1)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000095511730 570466058 /nfs/dbraw/zinc/46/60/58/570466058.db2.gz XVWKELJQOGGANQ-UHFFFAOYSA-N 1 3 363.958 4.183 50 0 FIAAHO Clc1ccc(C[N@@H+]2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)cc1 ZINC000011820476 570708091 /nfs/dbraw/zinc/70/80/91/570708091.db2.gz QYTSNCFMXQJQKB-OAQYLSRUSA-N 1 3 369.940 4.469 50 0 FIAAHO Clc1ccc(C[N@H+]2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)cc1 ZINC000011820476 570708095 /nfs/dbraw/zinc/70/80/95/570708095.db2.gz QYTSNCFMXQJQKB-OAQYLSRUSA-N 1 3 369.940 4.469 50 0 FIAAHO COCC[N@H+](CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CC=CCC1 ZINC000011840378 570709413 /nfs/dbraw/zinc/70/94/13/570709413.db2.gz HFYZEUNVUMSYLZ-FQEVSTJZSA-N 1 3 374.544 4.342 50 0 FIAAHO COCC[N@@H+](CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CC=CCC1 ZINC000011840378 570709415 /nfs/dbraw/zinc/70/94/15/570709415.db2.gz HFYZEUNVUMSYLZ-FQEVSTJZSA-N 1 3 374.544 4.342 50 0 FIAAHO CC(C)Cc1ccc(CN2CCC[C@@H]([NH2+]C3CCN(C(C)C)CC3)C2)cc1 ZINC000022925723 570953316 /nfs/dbraw/zinc/95/33/16/570953316.db2.gz VNYCVVPWKQVMKO-XMMPIXPASA-N 1 3 371.613 4.312 50 0 FIAAHO CC(C)Cc1ccc(CN2CCC[C@@H](NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000022925723 570953317 /nfs/dbraw/zinc/95/33/17/570953317.db2.gz VNYCVVPWKQVMKO-XMMPIXPASA-N 1 3 371.613 4.312 50 0 FIAAHO CCN(Cc1ccc(Cl)s1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000012705849 220018291 /nfs/dbraw/zinc/01/82/91/220018291.db2.gz CIVOHOACGRFCFD-UHFFFAOYSA-N 1 3 370.006 4.030 50 0 FIAAHO C[N@H+](CC1CCN(c2ccncc2)CC1)[C@@H]1CCc2c1cc(F)cc2F ZINC000095452700 132211087 /nfs/dbraw/zinc/21/10/87/132211087.db2.gz UXGALQLVPUFPIP-OAQYLSRUSA-N 1 3 357.448 4.196 50 0 FIAAHO C[N@@H+](CC1CCN(c2ccncc2)CC1)[C@@H]1CCc2c1cc(F)cc2F ZINC000095452700 132211088 /nfs/dbraw/zinc/21/10/88/132211088.db2.gz UXGALQLVPUFPIP-OAQYLSRUSA-N 1 3 357.448 4.196 50 0 FIAAHO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(CN(C)C)cc2)cc1 ZINC000216316487 568117780 /nfs/dbraw/zinc/11/77/80/568117780.db2.gz CWUNCMNNGLRRMD-JOCHJYFZSA-N 1 3 351.494 4.044 50 0 FIAAHO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(CN(C)C)cc2)cc1 ZINC000216316487 568117781 /nfs/dbraw/zinc/11/77/81/568117781.db2.gz CWUNCMNNGLRRMD-JOCHJYFZSA-N 1 3 351.494 4.044 50 0 FIAAHO CC(=O)Nc1ccc(CN2CCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cc1 ZINC000216316487 568117782 /nfs/dbraw/zinc/11/77/82/568117782.db2.gz CWUNCMNNGLRRMD-JOCHJYFZSA-N 1 3 351.494 4.044 50 0 FIAAHO COc1ccc([C@@H]2CN(c3cc(C)nc4ccccc43)C[C@H]2[NH+](C)C)cc1 ZINC000095367287 570455385 /nfs/dbraw/zinc/45/53/85/570455385.db2.gz YSXVDZHBGCSWRF-NZQKXSOJSA-N 1 3 361.489 4.086 50 0 FIAAHO COc1ccc(/C=C/C[N@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)cc1 ZINC000011933927 570711752 /nfs/dbraw/zinc/71/17/52/570711752.db2.gz USCDVHCEJOZLGA-SNAWJCMRSA-N 1 3 368.521 4.454 50 0 FIAAHO COc1ccc(/C=C/C[N@@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)cc1 ZINC000011933927 570711755 /nfs/dbraw/zinc/71/17/55/570711755.db2.gz USCDVHCEJOZLGA-SNAWJCMRSA-N 1 3 368.521 4.454 50 0 FIAAHO CC(C)Cc1ccc(CN2CCC[C@H]([NH2+]C3CCN(C(C)C)CC3)C2)cc1 ZINC000022925727 570953232 /nfs/dbraw/zinc/95/32/32/570953232.db2.gz VNYCVVPWKQVMKO-DEOSSOPVSA-N 1 3 371.613 4.312 50 0 FIAAHO CC(C)Cc1ccc(CN2CCC[C@H](NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000022925727 570953233 /nfs/dbraw/zinc/95/32/33/570953233.db2.gz VNYCVVPWKQVMKO-DEOSSOPVSA-N 1 3 371.613 4.312 50 0 FIAAHO Oc1cc(CC[C@H]2CCCC[NH2+]2)cc(-c2ccc(CN3CCCC3)cn2)c1 ZINC000071764854 221371590 /nfs/dbraw/zinc/37/15/90/221371590.db2.gz OKEXSQBQZUKDDP-OAQYLSRUSA-N 1 3 365.521 4.125 50 0 FIAAHO COCC[N@H+](CC1CCCC1)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000020451310 523688314 /nfs/dbraw/zinc/68/83/14/523688314.db2.gz ANGIQLVZFRWOEJ-NRFANRHFSA-N 1 3 370.581 4.004 50 0 FIAAHO COCC[N@@H+](CC1CCCC1)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000020451310 523688320 /nfs/dbraw/zinc/68/83/20/523688320.db2.gz ANGIQLVZFRWOEJ-NRFANRHFSA-N 1 3 370.581 4.004 50 0 FIAAHO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3c(C)noc3C)CC2)C1 ZINC000091847135 570440607 /nfs/dbraw/zinc/44/06/07/570440607.db2.gz UOAHVTOUUZFLHG-OAQYLSRUSA-N 1 3 367.537 4.383 50 0 FIAAHO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3c(C)noc3C)CC2)C1 ZINC000091847135 570440608 /nfs/dbraw/zinc/44/06/08/570440608.db2.gz UOAHVTOUUZFLHG-OAQYLSRUSA-N 1 3 367.537 4.383 50 0 FIAAHO CC[NH+](CC)Cc1ccccc1CNCc1c[nH]nc1-c1cccs1 ZINC000012547210 571178741 /nfs/dbraw/zinc/17/87/41/571178741.db2.gz BIKCIRWFLDUTOU-UHFFFAOYSA-N 1 3 354.523 4.270 50 0 FIAAHO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(CCc3ccccn3)CC2)C1 ZINC000091725385 571242969 /nfs/dbraw/zinc/24/29/69/571242969.db2.gz AKWZBPLNXBAQMU-QFIPXVFZSA-N 1 3 363.549 4.216 50 0 FIAAHO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(CCc3ccccn3)CC2)C1 ZINC000091725385 571242970 /nfs/dbraw/zinc/24/29/70/571242970.db2.gz AKWZBPLNXBAQMU-QFIPXVFZSA-N 1 3 363.549 4.216 50 0 FIAAHO COCC[N@H+](CC1CCN(Cc2ccccc2F)CC1)C1CCCCC1 ZINC000012707555 220019756 /nfs/dbraw/zinc/01/97/56/220019756.db2.gz PBILIOWFNPKYEH-UHFFFAOYSA-N 1 3 362.533 4.319 50 0 FIAAHO COCC[N@@H+](CC1CCN(Cc2ccccc2F)CC1)C1CCCCC1 ZINC000012707555 220019759 /nfs/dbraw/zinc/01/97/59/220019759.db2.gz PBILIOWFNPKYEH-UHFFFAOYSA-N 1 3 362.533 4.319 50 0 FIAAHO Cc1ncsc1CN1CCC2(C[N@@H+](C(C)C)[C@H]2c2ccccc2)CC1 ZINC000257185790 1115686520 /nfs/dbraw/zinc/68/65/20/1115686520.db2.gz JUQPPMCGTRNBEG-FQEVSTJZSA-N 1 3 355.551 4.499 50 0 FIAAHO Cc1ncsc1CN1CCC2(C[N@H+](C(C)C)[C@H]2c2ccccc2)CC1 ZINC000257185790 1115686522 /nfs/dbraw/zinc/68/65/22/1115686522.db2.gz JUQPPMCGTRNBEG-FQEVSTJZSA-N 1 3 355.551 4.499 50 0 FIAAHO c1sc(C[N@@H+]2CCCN(c3ccccc3)CC2)cc1CN1CCCC1 ZINC000216153512 568108771 /nfs/dbraw/zinc/10/87/71/568108771.db2.gz CGCWNNNNDKKEHP-UHFFFAOYSA-N 1 3 355.551 4.056 50 0 FIAAHO c1sc(C[N@H+]2CCCN(c3ccccc3)CC2)cc1CN1CCCC1 ZINC000216153512 568108772 /nfs/dbraw/zinc/10/87/72/568108772.db2.gz CGCWNNNNDKKEHP-UHFFFAOYSA-N 1 3 355.551 4.056 50 0 FIAAHO CN(Cc1cccnc1)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000012448785 570746555 /nfs/dbraw/zinc/74/65/55/570746555.db2.gz WMGDVGXZPONCGO-UHFFFAOYSA-N 1 3 357.929 4.122 50 0 FIAAHO C[C@@H](C1CCN(Cc2cc(CN3CCCC3)cs2)CC1)[NH+]1CCCC1 ZINC000072422885 571193538 /nfs/dbraw/zinc/19/35/38/571193538.db2.gz OKXLSJJAGQVETA-SFHVURJKSA-N 1 3 361.599 4.040 50 0 FIAAHO CC(C)(O)CCc1ccc(CN2CCC(CC[NH+]3CCCC3)CC2)cc1 ZINC000072454169 571197420 /nfs/dbraw/zinc/19/74/20/571197420.db2.gz CSDLECXTQSCZQZ-UHFFFAOYSA-N 1 3 358.570 4.088 50 0 FIAAHO CC[NH+](CC)Cc1ccc(CNCc2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC000014095925 220106584 /nfs/dbraw/zinc/10/65/84/220106584.db2.gz FRSYULQDSIUYTH-UHFFFAOYSA-N 1 3 366.484 4.347 50 0 FIAAHO CCc1ccc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)o1 ZINC000015072765 220146469 /nfs/dbraw/zinc/14/64/69/220146469.db2.gz NQGNNIKJNLTIHL-JOCHJYFZSA-N 1 3 374.569 4.478 50 0 FIAAHO Cc1ccc(COc2ccc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)cc2)cc1 ZINC000097287792 222172931 /nfs/dbraw/zinc/17/29/31/222172931.db2.gz MHKCOHSLJVIFPA-NRFANRHFSA-N 1 3 350.506 4.148 50 0 FIAAHO CN(Cc1ccc(Cn2cccn2)cc1)Cc1ccccc1C[NH+]1CCCC1 ZINC000215107329 568052131 /nfs/dbraw/zinc/05/21/31/568052131.db2.gz XWTSVZKBZCTOAS-UHFFFAOYSA-N 1 3 374.532 4.159 50 0 FIAAHO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]2c2ccc(CN(C)C)cc2)cc1 ZINC000216316528 568117773 /nfs/dbraw/zinc/11/77/73/568117773.db2.gz CWUNCMNNGLRRMD-QFIPXVFZSA-N 1 3 351.494 4.044 50 0 FIAAHO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(CN(C)C)cc2)cc1 ZINC000216316528 568117774 /nfs/dbraw/zinc/11/77/74/568117774.db2.gz CWUNCMNNGLRRMD-QFIPXVFZSA-N 1 3 351.494 4.044 50 0 FIAAHO CC(=O)Nc1ccc(CN2CCC[C@H]2c2ccc(C[NH+](C)C)cc2)cc1 ZINC000216316528 568117775 /nfs/dbraw/zinc/11/77/75/568117775.db2.gz CWUNCMNNGLRRMD-QFIPXVFZSA-N 1 3 351.494 4.044 50 0 FIAAHO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3cccc(O)c3)CC2)C1 ZINC000092046492 570445864 /nfs/dbraw/zinc/44/58/64/570445864.db2.gz KUHAVWVCCALBIS-QFIPXVFZSA-N 1 3 364.533 4.484 50 0 FIAAHO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3cccc(O)c3)CC2)C1 ZINC000092046492 570445866 /nfs/dbraw/zinc/44/58/66/570445866.db2.gz KUHAVWVCCALBIS-QFIPXVFZSA-N 1 3 364.533 4.484 50 0 FIAAHO COCC[N@H+](CC1CCN(Cc2ccccc2OC)CC1)C1CCCCC1 ZINC000014959238 220137686 /nfs/dbraw/zinc/13/76/86/220137686.db2.gz JEASANDHYKVEMI-UHFFFAOYSA-N 1 3 374.569 4.188 50 0 FIAAHO COCC[N@@H+](CC1CCN(Cc2ccccc2OC)CC1)C1CCCCC1 ZINC000014959238 220137690 /nfs/dbraw/zinc/13/76/90/220137690.db2.gz JEASANDHYKVEMI-UHFFFAOYSA-N 1 3 374.569 4.188 50 0 FIAAHO CCc1ccc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)o1 ZINC000015072763 220145454 /nfs/dbraw/zinc/14/54/54/220145454.db2.gz NQGNNIKJNLTIHL-QFIPXVFZSA-N 1 3 374.569 4.478 50 0 FIAAHO Clc1ccc(C[N@@H+]2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)cc1 ZINC000011820477 570708062 /nfs/dbraw/zinc/70/80/62/570708062.db2.gz QYTSNCFMXQJQKB-NRFANRHFSA-N 1 3 369.940 4.469 50 0 FIAAHO Clc1ccc(C[N@H+]2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)cc1 ZINC000011820477 570708064 /nfs/dbraw/zinc/70/80/64/570708064.db2.gz QYTSNCFMXQJQKB-NRFANRHFSA-N 1 3 369.940 4.469 50 0 FIAAHO C[C@]12Cc3nc4ccccc4c(N)c3[C@@]1(C)Cc1[nH+]c3ccccc3c(N)c12 ZINC000004489485 570800682 /nfs/dbraw/zinc/80/06/82/570800682.db2.gz RPTYJCYZONUDMU-DNQXCXABSA-N 1 3 366.468 4.275 50 0 FIAAHO c1coc([C@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)N2CCCCC2)c1 ZINC000022934050 570803075 /nfs/dbraw/zinc/80/30/75/570803075.db2.gz SLJDKNNRKFJUPL-QFIPXVFZSA-N 1 3 367.537 4.061 50 0 FIAAHO c1coc([C@H](CNC2CC[NH+](Cc3ccccc3)CC2)N2CCCCC2)c1 ZINC000022934050 570803080 /nfs/dbraw/zinc/80/30/80/570803080.db2.gz SLJDKNNRKFJUPL-QFIPXVFZSA-N 1 3 367.537 4.061 50 0 FIAAHO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3cccc(C)n3)CC2)C1 ZINC000091494088 571240318 /nfs/dbraw/zinc/24/03/18/571240318.db2.gz PBVAYXNMSWMVRB-JOCHJYFZSA-N 1 3 363.549 4.482 50 0 FIAAHO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3cccc(C)n3)CC2)C1 ZINC000091494088 571240320 /nfs/dbraw/zinc/24/03/20/571240320.db2.gz PBVAYXNMSWMVRB-JOCHJYFZSA-N 1 3 363.549 4.482 50 0 FIAAHO CC(C)OC1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000096003191 571333758 /nfs/dbraw/zinc/33/37/58/571333758.db2.gz SKPYXSFULBZORD-TTWXDQCFSA-N 1 3 356.554 4.223 50 0 FIAAHO