smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CCN1CCC[C@@H](C)C1)N(C)S(=O)(=O)c1cccc2ccccc21 ZINC000003953083 204116656 /nfs/dbraw/zinc/11/66/56/204116656.db2.gz XZYWRBPKJXHPIN-QZTJIDSGSA-N 0 3 374.550 3.971 1 0 FHAFHN Cc1ccc(Sc2c3ccccc3[nH]c2C(=O)NCCN(C)C)cc1 ZINC000006798749 204271273 /nfs/dbraw/zinc/27/12/73/204271273.db2.gz JBIVLWVXKJBLTG-UHFFFAOYSA-N 0 3 353.491 3.919 1 0 FHAFHN CN(c1ccc2[nH]c(-c3n[nH]c4ccccc43)nc2c1)C1CCN(C)CC1 ZINC000036176903 205007385 /nfs/dbraw/zinc/00/73/85/205007385.db2.gz AEXAYHMFAIXNSU-UHFFFAOYSA-N 0 3 360.465 3.637 1 0 FHAFHN CC(C)[C@@H](N)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1 ZINC000036184645 205007846 /nfs/dbraw/zinc/00/78/46/205007846.db2.gz GNFWJCGIZJCASB-VQTJNVASSA-N 0 3 356.416 3.915 1 0 FHAFHN O=C(c1cc(-n2ccc3cnccc32)c(O)cc1O)N1Cc2ccccc2C1 ZINC000169343528 206253610 /nfs/dbraw/zinc/25/36/10/206253610.db2.gz HWXYPOSCBPQPMK-UHFFFAOYSA-N 0 3 371.396 3.593 1 0 FHAFHN c1cc(Oc2ccc(C3=NCCO3)cc2)ccc1OCCN1CCCC1 ZINC000000587640 581091967 /nfs/dbraw/zinc/09/19/67/581091967.db2.gz OOFLUGQLPZSRDT-UHFFFAOYSA-N 0 3 352.434 3.730 1 0 FHAFHN O=C(c1cccc(F)c1)N1CCC2(CCN(Cc3ccncc3)CC2)CC1 ZINC000003955898 204117284 /nfs/dbraw/zinc/11/72/84/204117284.db2.gz WBTSNXWOVFHHFQ-UHFFFAOYSA-N 0 3 367.468 3.739 1 0 FHAFHN CC1=C(C(=O)Nc2c(C)cc(C)cc2C)C2(CCN(C(C)C)CC2)OC1=O ZINC000008600176 204336230 /nfs/dbraw/zinc/33/62/30/204336230.db2.gz YDDLNTJQDJBVCH-UHFFFAOYSA-N 0 3 370.493 3.667 1 0 FHAFHN Cc1nn(-c2ncccc2C)cc1CN1CCC2(CC1)OCc1ccccc12 ZINC000040394832 205068685 /nfs/dbraw/zinc/06/86/85/205068685.db2.gz SLRRKIAIUARVQX-UHFFFAOYSA-N 0 3 374.488 3.906 1 0 FHAFHN O=C(c1ccc(Br)cc1)C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000049068429 205169022 /nfs/dbraw/zinc/16/90/22/205169022.db2.gz SMOCSSMOCXIMPM-IAGOWNOFSA-N 0 3 366.299 3.647 1 0 FHAFHN CCn1c2cc[nH+]cc2c2cc([N-]S(=O)(=O)c3cccc(N)c3)ccc21 ZINC000064559322 205300939 /nfs/dbraw/zinc/30/09/39/205300939.db2.gz CJMJMGZJEWPLRJ-UHFFFAOYSA-N 0 3 366.446 3.592 1 0 FHAFHN C[C@H]1CCCN1CCN1CCc2cc(-c3ccc(F)cc3)ccc2C1=O ZINC000059114026 205279807 /nfs/dbraw/zinc/27/98/07/205279807.db2.gz PESOUNLSPHQJGL-INIZCTEOSA-N 0 3 352.453 3.975 1 0 FHAFHN COc1ccccc1-c1nnc(N2CCC(N3CCCCC3)CC2)s1 ZINC000066258770 205365603 /nfs/dbraw/zinc/36/56/03/205365603.db2.gz DOSSKZRHSMXORN-UHFFFAOYSA-N 0 3 358.511 3.668 1 0 FHAFHN CC(=O)c1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1 ZINC000066251026 205364508 /nfs/dbraw/zinc/36/45/08/205364508.db2.gz MFTIZYIOACEQCN-UHFFFAOYSA-N 0 3 370.522 3.862 1 0 FHAFHN O=C([C@H](Cc1ccccc1)c1ccccc1)N1CCN(c2ccncc2)CC1 ZINC000095556017 132215349 /nfs/dbraw/zinc/21/53/49/132215349.db2.gz IUSILDXGJIMQTD-HSZRJFAPSA-N 0 3 371.484 3.757 1 0 FHAFHN COc1cccc([C@H]2CC[C@H](N3CCN(c4ccccn4)CC3)CC2)c1 ZINC000100085673 132231881 /nfs/dbraw/zinc/23/18/81/132231881.db2.gz SHEZXZSIBXLQMP-PUZFROQSSA-N 0 3 351.494 3.939 1 0 FHAFHN COc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccco1)CC2 ZINC000003955942 204116537 /nfs/dbraw/zinc/11/65/37/204116537.db2.gz RQNUXWCGFZLWHD-UHFFFAOYSA-N 0 3 368.477 3.807 1 0 FHAFHN Cc1nc2ccccc2c2oc(C(=O)NCCN3CCCC[C@H]3C)cc21 ZINC000004902798 204174111 /nfs/dbraw/zinc/17/41/11/204174111.db2.gz UTJCXGBYVFOGTA-CQSZACIVSA-N 0 3 351.450 3.894 3 0 FHAFHN CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)nc1c(c2Cl)CCCC1 ZINC000004940316 204178661 /nfs/dbraw/zinc/17/86/61/204178661.db2.gz ZUJAQNXITNYJQA-HNNXBMFYSA-N 0 3 371.912 3.981 1 0 FHAFHN O[C@@H]1c2ccc(F)cc2C[C@H]1N1CCC(c2cccc3c2OCCC3)CC1 ZINC000013471820 204531150 /nfs/dbraw/zinc/53/11/50/204531150.db2.gz PPPYBCSUNHZWSN-FGZHOGPDSA-N 0 3 367.464 3.988 1 0 FHAFHN COC(=O)[C@H]1C[C@H]2c3cccc4c3c(cn4C3CCCC3)C[C@@H]2N(C)C1 ZINC000040374589 205067620 /nfs/dbraw/zinc/06/76/20/205067620.db2.gz ISVOYYWZUYYPHT-QSFXBCCZSA-N 0 3 352.478 3.889 1 0 FHAFHN CNC(=O)/C=C1/c2ccccc2-c2ccc(OCCN3CCCCC3)cc21 ZINC000040834365 205083112 /nfs/dbraw/zinc/08/31/12/205083112.db2.gz FDHFOTNTZGJRMO-JWGURIENSA-N 0 3 362.473 3.709 1 0 FHAFHN CC(C)(CO)NCc1coc2cccc(OCC3CCCCC3)c2c1=O ZINC000053314085 205191514 /nfs/dbraw/zinc/19/15/14/205191514.db2.gz YFTYZHMPFHEFCM-UHFFFAOYSA-N 0 3 359.466 3.613 1 0 FHAFHN O=C1c2ccc(-c3ccc(F)cc3F)cc2CCN1CCN1CCCC1 ZINC000059113082 205279658 /nfs/dbraw/zinc/27/96/58/205279658.db2.gz GIHJOOARQXFDOP-UHFFFAOYSA-N 0 3 356.416 3.726 1 0 FHAFHN CN(C)CCN1C(=O)c2cccc3cc(-c4cccs4)cc(c32)C1=O ZINC000066259304 205365522 /nfs/dbraw/zinc/36/55/22/205365522.db2.gz ZXUDEOPFUOLYOH-UHFFFAOYSA-N 0 3 350.443 3.726 1 0 FHAFHN COC(=O)[C@H]1C[C@@H]2c3cccc4c3c(cn4C3CCCC3)C[C@@H]2N(C)C1 ZINC000169312743 206250648 /nfs/dbraw/zinc/25/06/48/206250648.db2.gz ISVOYYWZUYYPHT-CVAIRZPRSA-N 0 3 352.478 3.889 1 0 FHAFHN O=C(c1cccc(F)c1)N1CCC2(CC1)CCN(c1ccncc1)CC2 ZINC000003955809 132386076 /nfs/dbraw/zinc/38/60/76/132386076.db2.gz WNQVJOXDWAOWHB-UHFFFAOYSA-N 0 3 353.441 3.744 1 0 FHAFHN Cc1c(CCN2CCN(c3ncccc3C)CC2)c2cccc3c2n1CCC3 ZINC000013740398 132870791 /nfs/dbraw/zinc/87/07/91/132870791.db2.gz VWZHQJKNCDQRCG-UHFFFAOYSA-N 0 3 374.532 3.964 1 0 FHAFHN Fc1ccc(OC[C@@H]2CC[C@H]3CN(c4ccc(F)cc4)CCN3C2)cc1 ZINC000053275877 136124878 /nfs/dbraw/zinc/12/48/78/136124878.db2.gz YBGMRLZOHGQJTB-UZLBHIALSA-N 0 3 358.432 3.944 1 0 FHAFHN C[C@H](N)C(=O)N1CCC[C@@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000001543428 204012005 /nfs/dbraw/zinc/01/20/05/204012005.db2.gz BLSRGJPGRJBHQK-YJBOKZPZSA-N 0 3 374.377 3.633 1 0 FHAFHN O=C(Oc1ccccc1)N1CCC2(CCN(Cc3ccncc3)CC2)CC1 ZINC000003956301 204116886 /nfs/dbraw/zinc/11/68/86/204116886.db2.gz VQYBYCNBKCIVKL-UHFFFAOYSA-N 0 3 365.477 3.959 1 0 FHAFHN CCN(C)CCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c21 ZINC000039829612 205047875 /nfs/dbraw/zinc/04/78/75/205047875.db2.gz FWMIXTKPPHIFDD-UHFFFAOYSA-N 0 3 356.491 3.885 1 0 in-vitro FHAFHN C[C@H]1CCc2nc(CCC[N@H+]3CC=C(c4ccccc4)CC3)[n-]c(=O)c2C1 ZINC000040412889 205070670 /nfs/dbraw/zinc/07/06/70/205070670.db2.gz FHITVFDYWLZSRT-KRWDZBQOSA-N 0 3 363.505 3.617 1 0 FHAFHN C[C@H]1CCc2nc(CCC[N@@H+]3CC=C(c4ccccc4)CC3)[n-]c(=O)c2C1 ZINC000040412889 205070672 /nfs/dbraw/zinc/07/06/72/205070672.db2.gz FHITVFDYWLZSRT-KRWDZBQOSA-N 0 3 363.505 3.617 1 0 FHAFHN CCN1CCC(Oc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)CC1 ZINC000040937218 205084885 /nfs/dbraw/zinc/08/48/85/205084885.db2.gz HIJRHPJHLUTNER-UHFFFAOYSA-N 0 3 363.461 3.557 1 0 FHAFHN COc1ccc(-c2coc3c2cccc3C(=O)NCCN(C)C)c(C)c1 ZINC000061905413 205288237 /nfs/dbraw/zinc/28/82/37/205288237.db2.gz KKACOQCTBSRJJN-UHFFFAOYSA-N 0 3 352.434 3.708 3 0 FHAFHN Cc1ccc(-c2cc3cccc4c3c(c2)C(=O)N(CCN(C)C)C4=O)cc1 ZINC000066100147 205363596 /nfs/dbraw/zinc/36/35/96/205363596.db2.gz DRMQOLHJIFZIFO-UHFFFAOYSA-N 0 3 358.441 3.973 1 0 FHAFHN O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=N[C@H]2CCCC[C@@H]12 ZINC000169350240 206253575 /nfs/dbraw/zinc/25/35/75/206253575.db2.gz TYJSHDWVKFXKBY-UXHICEINSA-N 0 3 351.494 3.643 1 0 FHAFHN O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2)C(F)F ZINC000036381550 205013310 /nfs/dbraw/zinc/01/33/10/205013310.db2.gz NRYSIYZIRHQJSQ-UHFFFAOYSA-N 0 3 365.430 3.874 3 0 FHAFHN COC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4C3CCCC3)C[C@@H]2N(C)C1 ZINC000040374585 205068393 /nfs/dbraw/zinc/06/83/93/205068393.db2.gz ISVOYYWZUYYPHT-BPAFIMBUSA-N 0 3 352.478 3.889 1 0 FHAFHN CN(C)CCN1C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC[C@@H]12 ZINC000169356370 206254125 /nfs/dbraw/zinc/25/41/25/206254125.db2.gz TZYDTPVLMWSHME-PCKUUMOXSA-N 0 3 374.569 3.658 1 0 FHAFHN O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccsc2)n1 ZINC000084671480 132199235 /nfs/dbraw/zinc/19/92/35/132199235.db2.gz FTFZFWKRKVYVER-UHFFFAOYSA-N 0 3 370.503 3.534 1 0 FHAFHN COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(C)CC2)cc1 ZINC000000592830 560178324 /nfs/dbraw/zinc/17/83/24/560178324.db2.gz AHGNJBSTWQOSAB-UHFFFAOYSA-N 0 3 366.505 3.669 1 0 in-vitro FHAFHN N[C@H](C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1)C1CC1 ZINC000013982540 581099030 /nfs/dbraw/zinc/09/90/30/581099030.db2.gz VCOUEHUEFUDZIS-PMACEKPBSA-N 0 3 354.400 3.669 1 0 in-vivo FHAFHN C[C@H](N)C(=O)N1CCC[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000003823289 204112210 /nfs/dbraw/zinc/11/22/10/204112210.db2.gz BLSRGJPGRJBHQK-MAUKXSAKSA-N 0 3 374.377 3.633 1 0 FHAFHN O=C(NCc1ccc(Cl)c(Cl)c1)N1CCN(C2CCCC2)CC1 ZINC000036188075 205007528 /nfs/dbraw/zinc/00/75/28/205007528.db2.gz OQKKNYYDFMXMPE-UHFFFAOYSA-N 0 3 356.297 3.763 1 0 FHAFHN O=C1Nc2ccc(F)cc2[C@@H]1CCCCN1CCN(c2ccccc2)CC1 ZINC000101446233 132233944 /nfs/dbraw/zinc/23/39/44/132233944.db2.gz IBBIDLLHDNJIPV-IBGZPJMESA-N 0 3 367.468 3.854 1 0 FHAFHN FC(F)(F)c1cccc(N2CCN(CCc3ccc4[nH]cnc4c3)CC2)c1 ZINC000038544489 136118888 /nfs/dbraw/zinc/11/88/88/136118888.db2.gz NTHRQJJWSIUTOE-UHFFFAOYSA-N 0 3 374.410 3.946 1 0 FHAFHN FC(F)(F)c1cccc(N2CCN(CCc3ccc4nc[nH]c4c3)CC2)c1 ZINC000038544489 136118889 /nfs/dbraw/zinc/11/88/89/136118889.db2.gz NTHRQJJWSIUTOE-UHFFFAOYSA-N 0 3 374.410 3.946 1 0 FHAFHN CC1(C)NC(=N)NC(=N)N1c1ccc(SCc2ccccc2)c(Cl)c1 ZINC000029219610 534962159 /nfs/dbraw/zinc/96/21/59/534962159.db2.gz CIWCAKCCJMNWMV-UHFFFAOYSA-N 0 3 373.913 3.818 1 0 FHAFHN N[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000036216169 205008305 /nfs/dbraw/zinc/00/83/05/205008305.db2.gz UMFWCDGSRAJLJX-FPOVZHCZSA-N 0 3 374.488 3.700 1 0 FHAFHN COc1ccc(CN2CCC3(CC2)O[C@@H](OC)Cc2sccc23)cc1 ZINC000040951673 205085334 /nfs/dbraw/zinc/08/53/34/205085334.db2.gz ZMPHVAHCGKMKJY-LJQANCHMSA-N 0 3 359.491 3.793 1 0 FHAFHN Cc1ccc(-c2c(C(=O)NC3CCN(C)CC3)cnn2-c2ccccc2)cc1 ZINC000058538418 205276799 /nfs/dbraw/zinc/27/67/99/205276799.db2.gz GBRVBCRCTKVVMJ-UHFFFAOYSA-N 0 3 374.488 3.672 1 0 FHAFHN COc1ccc([C@H]2CC[C@@H](N3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000100086261 536944686 /nfs/dbraw/zinc/94/46/86/536944686.db2.gz PQGLTWUOVHNAGW-KESTWPANSA-N 0 3 351.494 3.939 1 0 FHAFHN CC(C)[C@H](N)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1 ZINC000028572420 581095374 /nfs/dbraw/zinc/09/53/74/581095374.db2.gz PEUBMPVLEUTSNQ-PMACEKPBSA-N 0 3 372.415 3.621 1 0 FHAFHN CN1CCN(C[C@@H](c2cccc(C(F)(F)F)c2)C2(O)CCCCC2)CC1 ZINC000022442363 204777970 /nfs/dbraw/zinc/77/79/70/204777970.db2.gz LGRZVDOIDOOMRO-SFHVURJKSA-N 0 3 370.459 3.732 1 0 in-vitro FHAFHN Cc1nn(-c2cc(C)ccn2)cc1CN1CCC2(CC1)OCc1ccccc12 ZINC000040896416 205084233 /nfs/dbraw/zinc/08/42/33/205084233.db2.gz AINIYOCWHWRKCA-UHFFFAOYSA-N 0 3 374.488 3.906 1 0 FHAFHN C[C@@H]1CCC[C@H](C)N1CCN[C@@H]1c2ccccc2OCc2ncccc21 ZINC000040514680 205071245 /nfs/dbraw/zinc/07/12/45/205071245.db2.gz ATMKCXWXGQDJKI-JKSBSHDWSA-N 0 3 351.494 3.916 1 0 FHAFHN Nc1nc2c(c(-c3ccccc3)n1)C(=O)c1cccc(CN3CCCCC3)c1-2 ZINC000049109655 205169355 /nfs/dbraw/zinc/16/93/55/205169355.db2.gz QPEPHZDDNBFIFT-UHFFFAOYSA-N 0 3 370.456 3.923 1 0 FHAFHN O=S(=O)(Cc1ccccc1)NC[C@@H](c1ccccc1)N1CCCCCC1 ZINC000064274680 205297249 /nfs/dbraw/zinc/29/72/49/205297249.db2.gz RHMLLIYDUFMDOX-NRFANRHFSA-N 0 3 372.534 3.723 1 0 FHAFHN O=S(=O)(Cc1ccccc1)NC[C@H](c1ccccc1)N1CCCCCC1 ZINC000058511798 205275834 /nfs/dbraw/zinc/27/58/34/205275834.db2.gz RHMLLIYDUFMDOX-OAQYLSRUSA-N 0 3 372.534 3.723 1 0 FHAFHN COc1cc2c(cc1OC)[C@H]1C[C@H](NCCF)[C@H](CC(C)C)CN1CC2 ZINC000058480574 205275910 /nfs/dbraw/zinc/27/59/10/205275910.db2.gz YMERYCTWSIREBR-NZSAHSFTSA-N 0 3 364.505 3.597 1 0 FHAFHN COc1ccc([C@H]2C=C(NCCN(C)C)c3cc(F)ccc3N2)c(F)c1 ZINC000101426657 209226138 /nfs/dbraw/zinc/22/61/38/209226138.db2.gz NXXOPCWBNIOPNC-HXUWFJFHSA-N 0 3 359.420 3.632 1 0 FHAFHN COc1cccc(-c2ccc([C@@H]3[C@@H]4CN(Cc5ccccn5)C[C@H]3N4)cc2)c1 ZINC000100108504 209209256 /nfs/dbraw/zinc/20/92/56/209209256.db2.gz NGRUIDFBRMTHCY-UBRQYEGLSA-N 0 3 371.484 3.697 1 0 FHAFHN CC[C@@H](C)OC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)[C@@H](C)N2 ZINC000006411773 207138799 /nfs/dbraw/zinc/13/87/99/207138799.db2.gz WVXFSVJFLMMMFT-VXGBXAGGSA-N 0 3 353.426 3.946 1 0 FHAFHN CCCCC[C@H]1C[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O ZINC000040670881 208261668 /nfs/dbraw/zinc/26/16/68/208261668.db2.gz OMZWQYNMKBPQOL-RIWFRRHWSA-N 0 3 369.505 3.740 1 0 FHAFHN COc1cccc(-c2ccc3cccc4c3c2C(=O)N(CCN(C)C)C4=O)c1 ZINC000096939250 209164722 /nfs/dbraw/zinc/16/47/22/209164722.db2.gz KGHDCOAISNPDHA-UHFFFAOYSA-N 0 3 374.440 3.673 1 0 FHAFHN CCCn1c2nc(C)nc(N[C@H](C)CN(C)C)c2nc1-c1ccc(F)cc1 ZINC000007991788 207215447 /nfs/dbraw/zinc/21/54/47/207215447.db2.gz PFONNTWOBHORTG-CYBMUJFWSA-N 0 3 370.476 3.713 1 0 FHAFHN CN(C)CCN1C(=O)CC[C@]2(C)C1=CC[C@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC[C@H]12 ZINC000012671596 207406590 /nfs/dbraw/zinc/40/65/90/207406590.db2.gz TZYDTPVLMWSHME-ULGHJEHQSA-N 0 3 374.569 3.658 1 0 FHAFHN Clc1ccc2c(c1)C(=NCCN1CCCCC1)Nc1cccnc1N2 ZINC000013492094 207463559 /nfs/dbraw/zinc/46/35/59/207463559.db2.gz XJFLPPCWHZCRPU-UHFFFAOYSA-N 0 3 355.873 3.946 1 0 FHAFHN COc1cc2c(cc1OC)[C@H](Cc1cc(=O)oc3ccc(C)cc13)NCC2 ZINC000064564656 208616390 /nfs/dbraw/zinc/61/63/90/208616390.db2.gz BZHDMFUQKIWBBZ-SFHVURJKSA-N 0 3 365.429 3.548 1 0 FHAFHN O=C(c1cccc(F)c1)N1CCC2(CCCN(c3ccncc3)C2)CC1 ZINC000003956075 132386046 /nfs/dbraw/zinc/38/60/46/132386046.db2.gz NLWKFQOXAGNVJF-UHFFFAOYSA-N 0 3 353.441 3.744 1 0 FHAFHN COc1ccc(C(=O)N2CCC3(CC2)CCN(c2ccncc2)CC3)cc1 ZINC000003955817 536713369 /nfs/dbraw/zinc/71/33/69/536713369.db2.gz KPILUSAHPYZUAU-UHFFFAOYSA-N 0 3 365.477 3.613 1 0 FHAFHN O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=N[C@@H]2CCCC[C@@H]12 ZINC000169350238 581100903 /nfs/dbraw/zinc/10/09/03/581100903.db2.gz TYJSHDWVKFXKBY-WOJBJXKFSA-N 0 3 351.494 3.643 1 0 FHAFHN CO[C@@H]1CC[C@H]2CN(CCc3ccccc3)[C@@H]1CN2Cc1ccccc1 ZINC000096318626 209150692 /nfs/dbraw/zinc/15/06/92/209150692.db2.gz WYUPWHUGPAKEOJ-YTFSRNRJSA-N 0 3 350.506 3.593 1 0 FHAFHN Cc1nc2ccccc2c2oc(C(=O)NCCN3CCCC[C@@H]3C)cc21 ZINC000004902792 207059565 /nfs/dbraw/zinc/05/95/65/207059565.db2.gz UTJCXGBYVFOGTA-AWEZNQCLSA-N 0 3 351.450 3.894 3 0 FHAFHN CCCCCC(=O)NCCCN1CCC[C@H]1CC(=O)c1c(C)cccc1O ZINC000005820108 207117183 /nfs/dbraw/zinc/11/71/83/207117183.db2.gz LZFMYZNYVOKFEE-SFHVURJKSA-N 0 3 374.525 3.824 1 0 in-vivo FHAFHN O[C@H](c1ccccc1)[C@H](c1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000169334385 132261511 /nfs/dbraw/zinc/26/15/11/132261511.db2.gz PPOROOFLUNLTLP-XZOQPEGZSA-N 0 3 359.473 3.679 1 0 FHAFHN CN(C)CCOc1cc(N)cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1 ZINC000095573502 209081965 /nfs/dbraw/zinc/08/19/65/209081965.db2.gz FODYGLVSIXDICS-UHFFFAOYSA-N 0 3 373.460 3.815 1 0 FHAFHN O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=N[C@H]2CCCC[C@H]12 ZINC000028524106 581100790 /nfs/dbraw/zinc/10/07/90/581100790.db2.gz TYJSHDWVKFXKBY-PMACEKPBSA-N 0 3 351.494 3.643 1 0 FHAFHN Cc1ccccc1C=C1CNCC2C1=NC(=S)N[C@H]2c1ccccc1C ZINC000101679970 209229450 /nfs/dbraw/zinc/22/94/50/209229450.db2.gz KPMRONTYOPQSJD-RKPWUKJMSA-N 0 3 361.514 3.763 1 0 FHAFHN COc1ccc(-c2cnn3c2nc(NCCN(C)C)c2ccccc23)cc1 ZINC000096933162 209162407 /nfs/dbraw/zinc/16/24/07/209162407.db2.gz GQXXYCGHCNOGHD-UHFFFAOYSA-N 0 3 361.449 3.532 1 0 FHAFHN CCc1ccc(N2CCC3(CCN(Cc4ncccc4C)CC3)C2=O)cc1 ZINC000096286139 209149919 /nfs/dbraw/zinc/14/99/19/209149919.db2.gz KUPRTJHTZJLKLG-UHFFFAOYSA-N 0 3 363.505 3.972 1 0 FHAFHN Nc1cccc(-c2ccc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)cc2)c1 ZINC000006101211 207129262 /nfs/dbraw/zinc/12/92/62/207129262.db2.gz FVIZXTHHNZRGNE-QHCPKHFHSA-N 0 3 371.484 3.940 1 0 FHAFHN CCC(=O)N(c1c(F)c(F)c(F)c(F)c1F)[C@H]1CCC[C@H]1N(C)C ZINC000028239352 207954204 /nfs/dbraw/zinc/95/42/04/207954204.db2.gz SAIDPJNHMVNROB-BDAKNGLRSA-N 0 3 350.331 3.608 1 0 FHAFHN COc1cc2c(cc1OC)C(=O)[C@H](Cc1ccc(CN3CCCC3)cc1)C2 ZINC000040901037 208274000 /nfs/dbraw/zinc/27/40/00/208274000.db2.gz XMCHSNBMJUOVNZ-LJQANCHMSA-N 0 3 365.473 3.897 1 0 FHAFHN CCN(C)Cc1ccc(C[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 ZINC000040914509 208275143 /nfs/dbraw/zinc/27/51/43/208275143.db2.gz LQLHQUVZQVHQBV-SFHVURJKSA-N 0 3 353.462 3.753 1 0 FHAFHN CN1Cc2c(NC(=O)CN3CCCCC3)cccc2[C@H](c2ccccc2)C1 ZINC000040505774 208254282 /nfs/dbraw/zinc/25/42/82/208254282.db2.gz XBYQSNVYDGQAQP-FQEVSTJZSA-N 0 3 363.505 3.688 1 0 FHAFHN Cc1ccccc1OC(=O)C[C@H]1C=NN2c3cc(Cl)ccc3[N+](=O)[N-][C@@H]12 ZINC000027649779 132917005 /nfs/dbraw/zinc/91/70/05/132917005.db2.gz HBHPMBBEMKFGNY-KPZWWZAWSA-N 0 3 370.796 4.000 1 0 FHAFHN Cc1ccccc1C=C1CNCC2C1=NC(=S)N[C@@H]2c1ccccc1C ZINC000101679967 209229205 /nfs/dbraw/zinc/22/92/05/209229205.db2.gz KPMRONTYOPQSJD-KDHISYJLSA-N 0 3 361.514 3.763 1 0 FHAFHN COc1ccc(-c2ccc3cccc4c3c2C(=O)N(CCN(C)C)C4=O)cc1 ZINC000096939251 209164439 /nfs/dbraw/zinc/16/44/39/209164439.db2.gz FKGWCTATQZOLGU-UHFFFAOYSA-N 0 3 374.440 3.673 1 0 FHAFHN COc1ccccc1-c1cc2cccc3c2c(c1)C(=O)N(CCN(C)C)C3=O ZINC000096939252 209164097 /nfs/dbraw/zinc/16/40/97/209164097.db2.gz AOGXDFPBSHYUJB-UHFFFAOYSA-N 0 3 374.440 3.673 1 0 FHAFHN CN(C)C[C@@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000033982741 208102614 /nfs/dbraw/zinc/10/26/14/208102614.db2.gz KHHBNVFVJFKYIK-LLVKDONJSA-N 0 3 352.278 3.867 1 0 FHAFHN Cc1csc(-c2n[nH]c3c2Cc2cc(CN4CCN(C)CC4)ccc2-3)c1 ZINC000040763163 208268723 /nfs/dbraw/zinc/26/87/23/208268723.db2.gz PYZJVRBLOZTSMS-UHFFFAOYSA-N 0 3 364.518 3.765 1 0 FHAFHN COc1cc2c(cc1OC)[C@@H]1C[C@@H](O)[C@@H](CC3CCCCC3)CN1CC2 ZINC000071331500 208762813 /nfs/dbraw/zinc/76/28/13/208762813.db2.gz CRICLBURZAGDER-YSIASYRMSA-N 0 3 359.510 3.954 1 0 FHAFHN Fc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCNCC4)n3n2)cc1 ZINC000072100793 136141784 /nfs/dbraw/zinc/14/17/84/136141784.db2.gz ISLDHPVPSXVESL-UHFFFAOYSA-N 0 3 373.435 3.612 1 0 FHAFHN COc1cccc(-c2ccc3c4c2cccc4C(=O)N(CCN(C)C)C3=O)c1 ZINC000096939899 209164228 /nfs/dbraw/zinc/16/42/28/209164228.db2.gz QFLWFTOVTPDRLR-UHFFFAOYSA-N 0 3 374.440 3.673 1 0 FHAFHN CCC(=O)N1c2ccccc2OC[C@@H]2CN(CCc3ccccc3)CC[C@H]21 ZINC000036190573 208148771 /nfs/dbraw/zinc/14/87/71/208148771.db2.gz XJZCYMONKQXDLC-VQTJNVASSA-N 0 3 364.489 3.755 1 0 FHAFHN CNCc1cc(NS(C)(=O)=O)ccc1Sc1ccc(SC)cc1 ZINC000040935613 208276620 /nfs/dbraw/zinc/27/66/20/208276620.db2.gz VUQUGOYPDVYZTL-UHFFFAOYSA-N 0 3 368.549 3.651 1 0 FHAFHN Cc1nn(-c2ccccn2)cc1CN1CCC2(CC1)OCc1ccccc12 ZINC000040391794 208249209 /nfs/dbraw/zinc/24/92/09/208249209.db2.gz SFQGQBSIVKZIBM-UHFFFAOYSA-N 0 3 360.461 3.597 1 0 FHAFHN C[C@H]1CCC[C@H](C)N1CCN[C@@H]1c2ccccc2OCc2ncccc21 ZINC000040514682 208255125 /nfs/dbraw/zinc/25/51/25/208255125.db2.gz ATMKCXWXGQDJKI-HOIFWPIMSA-N 0 3 351.494 3.916 1 0 FHAFHN O[C@@H](c1ccccc1)[C@@H](c1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000169334380 132261394 /nfs/dbraw/zinc/26/13/94/132261394.db2.gz PPOROOFLUNLTLP-PKTZIBPZSA-N 0 3 359.473 3.679 1 0 FHAFHN Nc1nc2c(c(-c3ccccc3)n1)C(=O)c1cccc(CN3CCCC3)c1-2 ZINC000049048070 581093596 /nfs/dbraw/zinc/09/35/96/581093596.db2.gz VNKVESZANYVNNB-UHFFFAOYSA-N 0 3 356.429 3.533 1 0 FHAFHN COc1ccc(-c2ccc3c4c2cccc4C(=O)N(CCN(C)C)C3=O)cc1 ZINC000096939901 209164799 /nfs/dbraw/zinc/16/47/99/209164799.db2.gz CJZSNDZCYBOPIB-UHFFFAOYSA-N 0 3 374.440 3.673 1 0 FHAFHN CN1CC[C@H](c2cn(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc23)C1 ZINC000006013424 207127061 /nfs/dbraw/zinc/12/70/61/207127061.db2.gz GYFABGMYDPKBEU-AWEZNQCLSA-N 0 3 374.893 3.951 1 0 FHAFHN Cc1ccc(C(=O)N2c3ccccc3[C@@H](N3CCCC3)[C@@H](O)[C@H]2C)cc1 ZINC000096941845 132226792 /nfs/dbraw/zinc/22/67/92/132226792.db2.gz LUUPFTFSICTSSR-HBGVWJBISA-N 0 3 350.462 3.542 1 0 FHAFHN COc1cc2nc(-c3ccccc3)cc(N3CCN(C)CC3)c2c(OC)c1 ZINC000098083125 132232014 /nfs/dbraw/zinc/23/20/14/132232014.db2.gz PLIQXFGTHSMWHJ-UHFFFAOYSA-N 0 3 363.461 3.671 1 0 FHAFHN S=c1[nH]c2ccc(CCCN3CCN(c4ccccc4)CC3)cc2[nH]1 ZINC000038422626 136118732 /nfs/dbraw/zinc/11/87/32/136118732.db2.gz NEUIVMZLDPIEPD-UHFFFAOYSA-N 0 3 352.507 3.980 1 0 FHAFHN O=c1cc(C(F)(F)F)n(C/C=C/CN2CCCC2)c2ccc(F)cc12 ZINC000096909948 209160924 /nfs/dbraw/zinc/16/09/24/209160924.db2.gz LYZMJTKNLHYBPK-ONEGZZNKSA-N 0 3 354.347 3.811 1 0 FHAFHN C[C@H]1CN2CCN(Cc3ccc(O)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075221 208116249 /nfs/dbraw/zinc/11/62/49/208116249.db2.gz ITXRIFRTTPJIPH-XTQVGHSUSA-N 0 3 366.505 3.582 1 0 FHAFHN CCCCSc1ccc2c3c1cccc3C(=O)N(CCN(C)C)C2=O ZINC000040848088 208273085 /nfs/dbraw/zinc/27/30/85/208273085.db2.gz JJDYQYSPOPMSEO-UHFFFAOYSA-N 0 3 356.491 3.890 1 0 FHAFHN C[C@@H]1CCc2nc(CCC[N@H+]3CC=C(c4ccccc4)CC3)[n-]c(=O)c2C1 ZINC000040412885 208252829 /nfs/dbraw/zinc/25/28/29/208252829.db2.gz FHITVFDYWLZSRT-QGZVFWFLSA-N 0 3 363.505 3.617 1 0 FHAFHN C[C@@H]1CCc2nc(CCC[N@@H+]3CC=C(c4ccccc4)CC3)[n-]c(=O)c2C1 ZINC000040412885 208252832 /nfs/dbraw/zinc/25/28/32/208252832.db2.gz FHITVFDYWLZSRT-QGZVFWFLSA-N 0 3 363.505 3.617 1 0 FHAFHN O=C1N(Cc2ccc(Br)cc2)c2ccccc2[C@]12CCCN2 ZINC000095585946 209081490 /nfs/dbraw/zinc/08/14/90/209081490.db2.gz TWXFVGOOTHIBLU-GOSISDBHSA-N 0 3 357.251 3.575 1 0 FHAFHN O=C1c2ccc(-c3ccc(F)c(F)c3)cc2CCN1CCN1CCCC1 ZINC000059113818 212015913 /nfs/dbraw/zinc/01/59/13/212015913.db2.gz GYCYFTUXIPKESF-UHFFFAOYSA-N 0 3 356.416 3.726 1 0 FHAFHN CCOC(=O)Nc1cc2c(c(N)n1)N=C(C13CC4CC(CC(C4)C1)C3)CN2 ZINC000005856281 210643934 /nfs/dbraw/zinc/64/39/34/210643934.db2.gz BYERQPSECPGQQX-UHFFFAOYSA-N 0 3 369.469 3.947 1 0 FHAFHN COc1ccccc1[C@H]1CC[C@@H](N2CCN(c3ccccn3)CC2)CC1 ZINC000100086254 132232510 /nfs/dbraw/zinc/23/25/10/132232510.db2.gz FCPLDXWPGMEXLL-WGSAOQKQSA-N 0 3 351.494 3.939 1 0 FHAFHN c1ccc(-c2ccc3c(n[nH]c3-c3ccc(N4CCNCC4)cc3)n2)cc1 ZINC000073129806 136149886 /nfs/dbraw/zinc/14/98/86/136149886.db2.gz ODOVVMAMPYGRFL-UHFFFAOYSA-N 0 3 355.445 3.702 1 0 FHAFHN CO[C@H]1CC[C@H]2CN(CCc3ccccc3)[C@@H]1CN2Cc1ccccc1 ZINC000096318627 222114588 /nfs/dbraw/zinc/11/45/88/222114588.db2.gz WYUPWHUGPAKEOJ-ZRBLBEILSA-N 0 3 350.506 3.593 1 0 FHAFHN Fc1cccc(-c2ccc([C@@H]3[C@@H]4CN(Cc5nccs5)C[C@H]3N4)cc2)c1 ZINC000100106395 222236399 /nfs/dbraw/zinc/23/63/99/222236399.db2.gz YXAFCOKCYWCRRA-KXTWHKPSSA-N 0 3 365.477 3.889 1 0 FHAFHN COc1ccc(OC)c(CCC(=O)Nc2ccc3nc(C)cc(N)c3c2)c1 ZINC000103236409 222328299 /nfs/dbraw/zinc/32/82/99/222328299.db2.gz CCYDYOCFYSKEGA-UHFFFAOYSA-N 0 3 365.433 3.714 1 0 FHAFHN C=C1N=C(C)C(C(=O)OCC)[C@@H](c2nc3ccccc3[nH]2)C1C(=O)OCC ZINC000102051254 222287767 /nfs/dbraw/zinc/28/77/67/222287767.db2.gz BQQKUFSBVPHZQM-STZPCZCHSA-N 0 3 369.421 3.764 1 0 FHAFHN COc1ccc(CC[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1OC ZINC000005811653 210232035 /nfs/dbraw/zinc/23/20/35/210232035.db2.gz AECKSTRRHRODOS-SFHVURJKSA-N 0 3 371.477 3.883 1 0 FHAFHN CCN(C)Cc1ccc(C[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 ZINC000040914507 211763955 /nfs/dbraw/zinc/76/39/55/211763955.db2.gz LQLHQUVZQVHQBV-GOSISDBHSA-N 0 3 353.462 3.753 1 0 FHAFHN COc1cc2c(cc1OC)CN([C@H]1CCCN(Cc3ccccc3)C1)CC2 ZINC000022930445 211371576 /nfs/dbraw/zinc/37/15/76/211371576.db2.gz KWLGTWNZMNKIRK-NRFANRHFSA-N 0 3 366.505 3.727 1 0 FHAFHN COc1ccc2c(c1)[C@H](NCCN1[C@@H](C)CC[C@@H]1C)c1cccnc1CO2 ZINC000022441285 211350536 /nfs/dbraw/zinc/35/05/36/211350536.db2.gz WOQWGJMYJPOTGT-PONJGIIJSA-N 0 3 367.493 3.534 1 0 FHAFHN COC(=O)[C@H]1CN(Cc2ccc(O)cc2)CC[C@@H]1c1ccc(Cl)cc1 ZINC000013475009 211035266 /nfs/dbraw/zinc/03/52/66/211035266.db2.gz HADDGTXUFMJHIP-MOPGFXCFSA-N 0 3 359.853 3.824 1 0 FHAFHN CCN(CC)CCN1c2ccccc2[C@@](O)(c2ccc3ccccc3c2)C1=O ZINC000013471173 211033819 /nfs/dbraw/zinc/03/38/19/211033819.db2.gz FVZCUOAEJAWIKG-DEOSSOPVSA-N 0 3 374.484 3.764 1 0 FHAFHN O=c1c2ccc(OCCN3CCCC3)cc2occ1-c1ccc(O)cc1 ZINC000103240650 222327716 /nfs/dbraw/zinc/32/77/16/222327716.db2.gz VCNVTODZBGJIAO-UHFFFAOYSA-N 0 3 351.402 3.640 1 0 FHAFHN COc1ccc([C@H]2CC[C@H](N3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000100085675 536944869 /nfs/dbraw/zinc/94/48/69/536944869.db2.gz PQGLTWUOVHNAGW-PUZFROQSSA-N 0 3 351.494 3.939 1 0 FHAFHN O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC(c2ccccc2)CC1 ZINC000022877026 211368070 /nfs/dbraw/zinc/36/80/70/211368070.db2.gz HPZHSYBCGLDRCT-DHIUTWEWSA-N 0 3 368.496 3.641 1 0 FHAFHN CN(C)CCNC(=O)c1cc(Cl)cc2ccc(-c3ccccc3)nc21 ZINC000001613464 210362683 /nfs/dbraw/zinc/36/26/83/210362683.db2.gz NDXFIYMQRMASKB-UHFFFAOYSA-N 0 3 353.853 3.847 1 0 FHAFHN COc1ccccc1-c1ccc2cccc3c2c1C(=O)N(CCN(C)C)C3=O ZINC000096939249 222143658 /nfs/dbraw/zinc/14/36/58/222143658.db2.gz ZRCVZNFZQVWWQN-UHFFFAOYSA-N 0 3 374.440 3.673 1 0 FHAFHN COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)N2C/C=C/C[18F] ZINC000102143585 222289733 /nfs/dbraw/zinc/28/97/33/222289733.db2.gz LMVDJMCDHZLBFE-HQIMTIOZSA-N 0 3 350.852 3.975 1 0 FHAFHN CC(C)c1ccc(-c2c(=O)c(=O)c2NCCCN2CCC[C@H](C)C2)cc1 ZINC000020510302 519833733 /nfs/dbraw/zinc/83/37/33/519833733.db2.gz IPHMFNVTBSZBCI-INIZCTEOSA-N 0 3 354.494 3.607 1 0 FHAFHN COc1ccc(C(=O)N2CCC3(CCCN(c4ccncc4)C3)CC2)cc1 ZINC000003956083 536714379 /nfs/dbraw/zinc/71/43/79/536714379.db2.gz ZTSIRRAKTZUAOB-UHFFFAOYSA-N 0 3 365.477 3.613 1 0 FHAFHN O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=N[C@@H]2CCCC[C@H]12 ZINC000028524105 581100934 /nfs/dbraw/zinc/10/09/34/581100934.db2.gz TYJSHDWVKFXKBY-VQTJNVASSA-N 0 3 351.494 3.643 1 0 FHAFHN O=C1c2ccc(-c3cc(F)cc(F)c3)cc2CCN1CCN1CCCC1 ZINC000059113081 212015555 /nfs/dbraw/zinc/01/55/55/212015555.db2.gz VYWPYDHJBNEPBP-UHFFFAOYSA-N 0 3 356.416 3.726 1 0 FHAFHN CC(=O)c1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)cc1 ZINC000066252072 221242431 /nfs/dbraw/zinc/24/24/31/221242431.db2.gz DGBSDVLLPRGLHU-UHFFFAOYSA-N 0 3 370.522 3.862 1 0 FHAFHN COc1cc2c(cc1OC)[C@H]1C[C@@H](O)[C@H](CC3CCCCC3)CN1CC2 ZINC000071331498 221343495 /nfs/dbraw/zinc/34/34/95/221343495.db2.gz CRICLBURZAGDER-MISYRCLQSA-N 0 3 359.510 3.954 1 0 FHAFHN O=C(Oc1ccccc1)N1CCC2(CC1)CCN(c1ccncc1)CC2 ZINC000003955849 132386029 /nfs/dbraw/zinc/38/60/29/132386029.db2.gz UGEOBEWCRMXLMA-UHFFFAOYSA-N 0 3 351.450 3.963 1 0 FHAFHN COc1ccc(-c2ccc([C@@H]3[C@@H]4CN(Cc5ccccn5)C[C@H]3N4)cc2)cc1 ZINC000100107066 222235894 /nfs/dbraw/zinc/23/58/94/222235894.db2.gz AIFQVEDCLCEDCV-UBRQYEGLSA-N 0 3 371.484 3.697 1 0 FHAFHN C[C@@H](CCN1CCC[C@@H](C)C1)N(C)S(=O)(=O)c1cccc2ccccc21 ZINC000013531243 211037611 /nfs/dbraw/zinc/03/76/11/211037611.db2.gz XZYWRBPKJXHPIN-MSOLQXFVSA-N 0 3 374.550 3.971 1 0 FHAFHN CCCN(C)C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1 ZINC000013529279 211038224 /nfs/dbraw/zinc/03/82/24/211038224.db2.gz OVJLBHULUOXYFR-LJQANCHMSA-N 0 3 355.478 3.584 1 0 FHAFHN CN(C)CCN1C(=O)c2cccc3cc(-c4ccc(F)cc4)cc(c32)C1=O ZINC000066100148 221241708 /nfs/dbraw/zinc/24/17/08/221241708.db2.gz OCPABUIMUVZQAR-UHFFFAOYSA-N 0 3 362.404 3.804 1 0 FHAFHN Cc1cccc(C)c1N1CCN(CC[C@@H](OC(N)=O)c2ccccc2)CC1 ZINC000095578465 132215797 /nfs/dbraw/zinc/21/57/97/132215797.db2.gz RHQVQAMQVAIHOE-HXUWFJFHSA-N 0 3 367.493 3.652 1 0 FHAFHN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(F)c(F)cc(F)c1F ZINC000100018877 222231499 /nfs/dbraw/zinc/23/14/99/222231499.db2.gz PNHNDJOGVGSGSR-HMHNVIDESA-N 0 3 373.302 3.664 1 0 FHAFHN Cc1ccc(C=C2CNCC3C2=NC(=S)N[C@H]3c2ccc(C)cc2)cc1 ZINC000101679938 222280832 /nfs/dbraw/zinc/28/08/32/222280832.db2.gz KTONFTMVDHRYIE-OBXYEHHASA-N 0 3 361.514 3.763 1 0 FHAFHN CN1CCN(C[C@H](c2cccc(C(F)(F)F)c2)C2(O)CCCCC2)CC1 ZINC000022942492 211371356 /nfs/dbraw/zinc/37/13/56/211371356.db2.gz LGRZVDOIDOOMRO-GOSISDBHSA-N 0 3 370.459 3.732 1 0 in-vitro FHAFHN c1ccc2c(c1)[nH]c1c2CCN(CCN2CCCCC2)[C@@H]1c1cccnc1 ZINC000022913119 211368264 /nfs/dbraw/zinc/36/82/64/211368264.db2.gz DERUGECTQBSXDP-HSZRJFAPSA-N 0 3 360.505 3.996 1 0 FHAFHN C[C@@H]1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CCN1 ZINC000014970895 211109553 /nfs/dbraw/zinc/10/95/53/211109553.db2.gz ROYXMGVXIACORO-CYBMUJFWSA-N 0 3 353.857 3.590 1 0 FHAFHN COc1cc2c(cc1OC)Cc1[nH]c3ccccc3c1CCN(C)CC2 ZINC000013808576 211060399 /nfs/dbraw/zinc/06/03/99/211060399.db2.gz ILLDXVCWSLGVJR-UHFFFAOYSA-N 0 3 350.462 3.806 1 0 FHAFHN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CN(C)CCc1ccccn1)O2 ZINC000013651339 211045657 /nfs/dbraw/zinc/04/56/57/211045657.db2.gz HFFHVLHCRKCOOJ-JOCHJYFZSA-N 0 3 354.494 3.971 1 0 FHAFHN CCOC(=O)[C@@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 ZINC000013491893 211035079 /nfs/dbraw/zinc/03/50/79/211035079.db2.gz QLYZEQUNVZDFRM-NRFANRHFSA-N 0 3 365.473 3.682 1 0 FHAFHN O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cccs2)n1 ZINC000084671481 132199184 /nfs/dbraw/zinc/19/91/84/132199184.db2.gz HNSQYHZQAVDPGG-UHFFFAOYSA-N 0 3 370.503 3.534 1 0 FHAFHN COc1cccc(CCC(=O)Nc2ccc3nc(C)cc(N)c3c2)c1OC ZINC000103236411 222327891 /nfs/dbraw/zinc/32/78/91/222327891.db2.gz TUKSWFLHFRJGMM-UHFFFAOYSA-N 0 3 365.433 3.714 1 0 FHAFHN Cc1c(CCN2CCN(c3cc(C)ccn3)CC2)c2cccc3c2n1CCC3 ZINC000000598506 525702013 /nfs/dbraw/zinc/70/20/13/525702013.db2.gz CRMFDTIZXDELMK-UHFFFAOYSA-N 0 3 374.532 3.964 1 0 FHAFHN CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1ccc(O)cc13 ZINC000058594102 212012564 /nfs/dbraw/zinc/01/25/64/212012564.db2.gz HDRKKGULQPRYBL-TUACAJSNSA-N 0 3 356.469 3.853 1 0 in-vivo FHAFHN CCN(CC)CCN[C@H]1c2cccnc2COc2ccc(OC(C)C)cc21 ZINC000022942250 211370235 /nfs/dbraw/zinc/37/02/35/211370235.db2.gz HUAXUZOETALDFC-QFIPXVFZSA-N 0 3 369.509 3.782 1 0 FHAFHN C=C1N=C(C)C(C(=O)OCC)[C@H](c2nc3ccccc3[nH]2)C1C(=O)OCC ZINC000019782204 211254662 /nfs/dbraw/zinc/25/46/62/211254662.db2.gz BQQKUFSBVPHZQM-JFPYRBRCSA-N 0 3 369.421 3.764 1 0 FHAFHN O[C@@H](c1ccccc1)[C@H](c1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000169334383 132261400 /nfs/dbraw/zinc/26/14/00/132261400.db2.gz PPOROOFLUNLTLP-GOTSBHOMSA-N 0 3 359.473 3.679 1 0 FHAFHN CC[C@H](C)CN1CCN(c2cc(NC(=O)c3cccs3)ccn2)[C@@H](C)C1 ZINC000169295967 132261639 /nfs/dbraw/zinc/26/16/39/132261639.db2.gz SHPAVHNYNUXNEN-HOTGVXAUSA-N 0 3 372.538 3.952 1 0 FHAFHN O=C(O[C@H]1CN2CCC1CC2)[C@@H]1CCc2ccccc2N1c1ccccc1 ZINC000013674417 132869688 /nfs/dbraw/zinc/86/96/88/132869688.db2.gz RNBJISATPAUHAD-VXKWHMMOSA-N 0 3 362.473 3.777 1 0 FHAFHN CN1CCC(c2n[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1 ZINC000000587656 210250030 /nfs/dbraw/zinc/25/00/30/210250030.db2.gz IMRMDLZGICUAAD-UHFFFAOYSA-N 0 3 352.413 3.764 1 0 FHAFHN COc1ccc(S(=O)(=O)Nc2ccc3nc4cc[nH]cc-4c3c2)cc1 ZINC000064560244 212040792 /nfs/dbraw/zinc/04/07/92/212040792.db2.gz CGBQEZLIPYHOEO-UHFFFAOYSA-N 0 3 353.403 3.526 1 0 FHAFHN C[C@@H]1CCCN1CCN1CCc2cc(-c3ccc(F)cc3)ccc2C1=O ZINC000059114028 212014805 /nfs/dbraw/zinc/01/48/05/212014805.db2.gz PESOUNLSPHQJGL-MRXNPFEDSA-N 0 3 352.453 3.975 1 0 FHAFHN Cc1noc(C)c1-c1ccc2ncnc(NC[C@H]3CCCCN3C)c2c1 ZINC000013828601 211061250 /nfs/dbraw/zinc/06/12/50/211061250.db2.gz VBBQLTUTNDYBQT-MRXNPFEDSA-N 0 3 351.454 3.798 3 0 FHAFHN Clc1cc2nc(N3CCNCC3)n(Cc3ccccc3)c2cc1Cl ZINC000001540567 210360527 /nfs/dbraw/zinc/36/05/27/210360527.db2.gz XFUOIMWLAPSVGQ-UHFFFAOYSA-N 0 3 361.276 3.801 1 0 FHAFHN C[C@H]1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)C[C@H](C)N1 ZINC000014970913 220136837 /nfs/dbraw/zinc/13/68/37/220136837.db2.gz UURQEFJLVUODIL-KBPBESRZSA-N 0 3 367.884 3.979 1 0 FHAFHN CC1(C)[C@@H]2C[C@H]1C(CN1CCN(Cc3ccc4c(c3)OCO4)CC1)=CC2 ZINC000019359249 220254051 /nfs/dbraw/zinc/25/40/51/220254051.db2.gz AWAFRJRSKSTLHU-OALUTQOASA-N 0 3 354.494 3.525 1 0 FHAFHN Fc1cc(F)cc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1 ZINC000066251252 221242758 /nfs/dbraw/zinc/24/27/58/221242758.db2.gz UHMWXISCXFLVSK-UHFFFAOYSA-N 0 3 364.465 3.938 1 0 FHAFHN Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2c3nc[nH]c3ccc2n1 ZINC000052753763 136124611 /nfs/dbraw/zinc/12/46/11/136124611.db2.gz VLBVPZGZVHNXFH-UHFFFAOYSA-N 0 3 372.476 3.915 1 0 FHAFHN c1[nH]c2ccc(-c3cncnc3)cc2c1-c1ccc(N2CCNCC2)cc1 ZINC000073129648 136149823 /nfs/dbraw/zinc/14/98/23/136149823.db2.gz UJVOMAAEEVUSBV-UHFFFAOYSA-N 0 3 355.445 3.702 1 0 FHAFHN CNCc1cc(=O)oc2cc(OCc3cccc(Br)c3)ccc12 ZINC000103244698 222328267 /nfs/dbraw/zinc/32/82/67/222328267.db2.gz LDMIGOGCMLYRKE-UHFFFAOYSA-N 0 3 374.234 3.854 1 0 FHAFHN O=c1[nH]c(CCCN2CC=C(c3ccc(F)cc3)CC2)nc2ccccc21 ZINC000013581578 220076546 /nfs/dbraw/zinc/07/65/46/220076546.db2.gz JFSNQOXGPKPECX-UHFFFAOYSA-N 0 3 363.436 3.784 1 0 FHAFHN CN(C)CCNC(=O)c1cccc2nc3c(nc21)-c1cccc2cccc-3c12 ZINC000013586910 220077101 /nfs/dbraw/zinc/07/71/01/220077101.db2.gz LJBJBWNIOGGLIE-UHFFFAOYSA-N 0 3 368.440 3.722 1 0 FHAFHN CN(C)C[C@H]1CN(c2ccc(OCc3cccc(Cl)c3)cc2)C(=O)O1 ZINC000013833924 220096494 /nfs/dbraw/zinc/09/64/94/220096494.db2.gz WCIFNJXQCFHSLO-SFHVURJKSA-N 0 3 360.841 3.806 1 0 FHAFHN O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1CN1CC=CC1 ZINC000013449180 220068269 /nfs/dbraw/zinc/06/82/69/220068269.db2.gz MKUSUAHBXSHVJF-OAHLLOKOSA-N 0 3 353.293 3.789 1 0 FHAFHN Cc1ccc2c(c1)[C@@H](O)[C@H](N1CCC(c3cccc4c3OCCO4)CC1)C2 ZINC000013471802 220068359 /nfs/dbraw/zinc/06/83/59/220068359.db2.gz FIMQQCSPXAMCSD-IFMALSPDSA-N 0 3 365.473 3.604 1 0 FHAFHN CCOC(=O)[C@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000013491914 220069552 /nfs/dbraw/zinc/06/95/52/220069552.db2.gz OYVHGIIMTHUYCL-FQEVSTJZSA-N 0 3 351.446 3.812 1 0 FHAFHN O=c1[nH]c(CCCN2CC=C(c3ccccc3)CC2)nc2cccc(F)c21 ZINC000013581542 220075618 /nfs/dbraw/zinc/07/56/18/220075618.db2.gz AGWUKGSYPXFPSJ-UHFFFAOYSA-N 0 3 363.436 3.784 1 0 FHAFHN O=C1OC(Cc2c[nH]c3ccccc23)C(=O)N1Cc1cc(F)cc(F)c1 ZINC000013740661 220092206 /nfs/dbraw/zinc/09/22/06/220092206.db2.gz RRMHOUYEUUCREL-QGZVFWFLSA-N 0 3 356.328 3.536 1 0 FHAFHN c1ccc(CCN2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)cc1 ZINC000015779158 220165681 /nfs/dbraw/zinc/16/56/81/220165681.db2.gz GPTHNIPEPKHMSI-UHFFFAOYSA-N 0 3 374.444 3.550 1 0 FHAFHN CCCC[C@@H]1CC2(C[C@H](CCCC)[NH2+]1)C(=O)[N-]C(=O)N2c1ccccc1 ZINC000028971263 220590248 /nfs/dbraw/zinc/59/02/48/220590248.db2.gz VWIMYKRRLMTELI-QRTHJKPMSA-N 0 3 357.498 3.983 1 0 FHAFHN C[C@@H]1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)C[C@H](C)N1 ZINC000014970909 220137592 /nfs/dbraw/zinc/13/75/92/220137592.db2.gz UURQEFJLVUODIL-OKILXGFUSA-N 0 3 367.884 3.979 1 0 FHAFHN COc1cc2c(cc1OC)[C@H](Cc1cc(=O)oc3cc(C)ccc13)NCC2 ZINC000064553217 221147152 /nfs/dbraw/zinc/14/71/52/221147152.db2.gz UYKWGHYFHRWDNE-SFHVURJKSA-N 0 3 365.429 3.548 1 0 FHAFHN O=C(Oc1ccccc1)N1CCC2(CCCN(c3ccncc3)C2)CC1 ZINC000003956053 132386133 /nfs/dbraw/zinc/38/61/33/132386133.db2.gz RGUDZQVBCVXLGZ-UHFFFAOYSA-N 0 3 351.450 3.963 1 0 FHAFHN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccccc1N1CCNCC1 ZINC000045192992 136121946 /nfs/dbraw/zinc/12/19/46/136121946.db2.gz DKGQVWOMRVLOOD-UHFFFAOYSA-N 0 3 364.371 3.759 1 0 FHAFHN COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C/C=C/C[18F] ZINC000102143587 222289861 /nfs/dbraw/zinc/28/98/61/222289861.db2.gz LMVDJMCDHZLBFE-PNMOZHTDSA-N 0 3 350.852 3.975 1 0 FHAFHN CC(C)c1ccc(-c2c(=O)c(=O)c2NCCCN2CCC[C@@H](C)C2)cc1 ZINC000020510300 519833783 /nfs/dbraw/zinc/83/37/83/519833783.db2.gz IPHMFNVTBSZBCI-MRXNPFEDSA-N 0 3 354.494 3.607 1 0 FHAFHN COc1cc2cc(CCC(C)=O)c3c(c2cc1OC)C[C@@H]1CCCN1C3 ZINC000014829387 291077862 /nfs/dbraw/zinc/07/78/62/291077862.db2.gz FMOOLBLKBMPLJD-KRWDZBQOSA-N 0 3 353.462 3.899 1 0 biogenic,in-vitro FHAFHN CN1CC=C(c2c[nH]c3ccc(N4C(=O)c5ccccc5C4=O)cc32)CC1 ZINC000013731846 220090796 /nfs/dbraw/zinc/09/07/96/220090796.db2.gz WVMXJALMALVULM-UHFFFAOYSA-N 0 3 357.413 3.687 1 0 FHAFHN COc1cc2nc(-c3ccccc3)cc(N3CCOCC3)c2c(OC)c1 ZINC000098085125 132231812 /nfs/dbraw/zinc/23/18/12/132231812.db2.gz MDRQHCZGZRIHED-UHFFFAOYSA-N 0 3 350.418 3.756 1 0 FHAFHN O[C@H](c1ccccc1)[C@@H](c1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000169334382 132261491 /nfs/dbraw/zinc/26/14/91/132261491.db2.gz PPOROOFLUNLTLP-DHIUTWEWSA-N 0 3 359.473 3.679 1 0 FHAFHN COc1cccc(-c2cc3cccc4c3c(c2)C(=O)N(CCN(C)C)C4=O)c1 ZINC000096939253 222143357 /nfs/dbraw/zinc/14/33/57/222143357.db2.gz XATHFMDNDYGQFT-UHFFFAOYSA-N 0 3 374.440 3.673 1 0 FHAFHN CCN(CC)CCN[C@@H]1c2cccnc2COc2ccc(OC(C)C)cc21 ZINC000022441271 220386722 /nfs/dbraw/zinc/38/67/22/220386722.db2.gz HUAXUZOETALDFC-JOCHJYFZSA-N 0 3 369.509 3.782 1 0 FHAFHN CCN(CC)Cc1cccc2c1-c1nc(N)nc(-c3ccccc3)c1C2=O ZINC000049054655 221017639 /nfs/dbraw/zinc/01/76/39/221017639.db2.gz XBTQUCJTNMIJCS-UHFFFAOYSA-N 0 3 358.445 3.779 1 0 FHAFHN O=C1N(CCN2CCCCCC2)CCN1c1cccc(C(F)(F)F)c1 ZINC000049045313 221017879 /nfs/dbraw/zinc/01/78/79/221017879.db2.gz GPOXSHFDBBJUJR-UHFFFAOYSA-N 0 3 355.404 3.823 1 0 FHAFHN CCOC(=O)[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 ZINC000053243016 221043432 /nfs/dbraw/zinc/04/34/32/221043432.db2.gz FBGPUQHNRKUKMC-GOSISDBHSA-N 0 3 371.502 3.744 1 0 FHAFHN CN(C)C(=O)N1CCC(N[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072101527 221404194 /nfs/dbraw/zinc/40/41/94/221404194.db2.gz HTRHEHYMVXCUNT-LJQANCHMSA-N 0 3 372.900 3.560 1 0 FHAFHN O=C([C@@H](Cc1ccccc1)c1ccccc1)N1CCN(c2ccncc2)CC1 ZINC000095556016 132215351 /nfs/dbraw/zinc/21/53/51/132215351.db2.gz IUSILDXGJIMQTD-QHCPKHFHSA-N 0 3 371.484 3.757 1 0 FHAFHN Clc1ccc(-c2ccc(-c3ccnc(N4CCNCC4)n3)s2)cc1 ZINC000066258968 136136792 /nfs/dbraw/zinc/13/67/92/136136792.db2.gz BSNUROMRGPNVJY-UHFFFAOYSA-N 0 3 356.882 3.935 1 0 FHAFHN O=C1Nc2ccc(F)cc2[C@H]1CCCCN1CCN(c2ccccc2)CC1 ZINC000029055379 136153602 /nfs/dbraw/zinc/15/36/02/136153602.db2.gz IBBIDLLHDNJIPV-LJQANCHMSA-N 0 3 367.468 3.854 1 0 FHAFHN COc1ccccc1-c1ccc2c3c1cccc3C(=O)N(CCN(C)C)C2=O ZINC000096939898 222144530 /nfs/dbraw/zinc/14/45/30/222144530.db2.gz CRVDWSGKJLMDHA-UHFFFAOYSA-N 0 3 374.440 3.673 1 0 FHAFHN COc1cc2c(cc1OCCC[18F])CCN1C[C@@H](CC(C)C)[C@H](O)C[C@H]21 ZINC000100529342 222246086 /nfs/dbraw/zinc/24/60/86/222246086.db2.gz GNKGXQHHUUEYQV-WTHAECTESA-N 0 3 364.492 3.760 1 0 in-man FHAFHN CCC1(CC)C[C@@H](CN2CCC(c3nc4ccccc4[nH]3)CC2)OC1=O ZINC000103202848 222324049 /nfs/dbraw/zinc/32/40/49/222324049.db2.gz FXPSFBYHZCBQKL-INIZCTEOSA-N 0 3 355.482 3.864 1 0 FHAFHN C[C@H](CCN1CCC[C@H](C)C1)N(C)S(=O)(=O)c1cccc2ccccc21 ZINC000005493659 263341703 /nfs/dbraw/zinc/34/17/03/263341703.db2.gz XZYWRBPKJXHPIN-ZWKOTPCHSA-N 0 3 374.550 3.971 1 0 FHAFHN O=C(c1ccc(Br)s1)C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000049068433 221017718 /nfs/dbraw/zinc/01/77/18/221017718.db2.gz AZRFRGNTYLSATA-CHWSQXEVSA-N 0 3 372.328 3.709 1 0 FHAFHN Cc1cccc(C)c1N1CCN(CC[C@H](OC(N)=O)c2ccccc2)CC1 ZINC000095578464 132215782 /nfs/dbraw/zinc/21/57/82/132215782.db2.gz RHQVQAMQVAIHOE-FQEVSTJZSA-N 0 3 367.493 3.652 1 0 FHAFHN COc1cccc([C@H]2CC[C@@H](N3CCN(c4ccccn4)CC3)CC2)c1 ZINC000100086257 132232520 /nfs/dbraw/zinc/23/25/20/132232520.db2.gz SHEZXZSIBXLQMP-KESTWPANSA-N 0 3 351.494 3.939 1 0 FHAFHN O=C1Cc2cc(CCN3CCN(c4cccc5ccccc54)CC3)ccc2N1 ZINC000003782398 132385715 /nfs/dbraw/zinc/38/57/15/132385715.db2.gz GEJKYGSJUJTWOZ-UHFFFAOYSA-N 0 3 371.484 3.699 1 0 FHAFHN CCC1(CC)C[C@H](CN2CCC(c3nc4ccccc4[nH]3)CC2)OC1=O ZINC000103202845 222324540 /nfs/dbraw/zinc/32/45/40/222324540.db2.gz FXPSFBYHZCBQKL-MRXNPFEDSA-N 0 3 355.482 3.864 1 0 FHAFHN CN1CCC(=O)N([C@H](CSc2ccccc2)Cc2ccccc2)CC1 ZINC000012474519 220000322 /nfs/dbraw/zinc/00/03/22/220000322.db2.gz VTRQINMULFJJRM-IBGZPJMESA-N 0 3 354.519 3.554 3 0 FHAFHN Cc1c2cccc(F)c2oc1C(=O)N1CCC(N2CCSCC2)CC1 ZINC000012705279 220018064 /nfs/dbraw/zinc/01/80/64/220018064.db2.gz HVSGINFZYYBWIM-UHFFFAOYSA-N 0 3 362.470 3.534 3 0 FHAFHN O=c1[nH]c(CCCN2CC=C(c3ccc(O)cc3)CC2)nc2ccccc21 ZINC000013581593 220076077 /nfs/dbraw/zinc/07/60/77/220076077.db2.gz VVYGOCQBAQDXOA-UHFFFAOYSA-N 0 3 361.445 3.763 1 0 FHAFHN OCC1(Cc2ccccc2C(F)(F)F)CCN(Cc2ccncc2)CC1 ZINC000013595583 220077019 /nfs/dbraw/zinc/07/70/19/220077019.db2.gz RWEICMQXWXCWCS-UHFFFAOYSA-N 0 3 364.411 3.918 3 0 FHAFHN O=c1[nH]c2ccccc2n1CCCN1CCC(Cc2ccc(F)cc2)CC1 ZINC000013808351 220096161 /nfs/dbraw/zinc/09/61/61/220096161.db2.gz UXHLMDWIXZZQFP-UHFFFAOYSA-N 0 3 367.468 3.814 1 0 FHAFHN CN1CCCN(c2cc(-c3ccc4ccccc4c3)nc3ccnn32)CC1 ZINC000061907674 221137109 /nfs/dbraw/zinc/13/71/09/221137109.db2.gz LHYCGZWDKSKPQZ-UHFFFAOYSA-N 0 3 357.461 3.691 3 0 FHAFHN O=C1NCCC12CCN(C(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000064527273 221147674 /nfs/dbraw/zinc/14/76/74/221147674.db2.gz MDGFRVAELSDIOD-UHFFFAOYSA-N 0 3 356.416 3.656 1 0 FHAFHN COc1cc2c(cc1OC)[C@@H](Cc1cc(=O)oc3ccc(C)cc13)NCC2 ZINC000064564655 221148998 /nfs/dbraw/zinc/14/89/98/221148998.db2.gz BZHDMFUQKIWBBZ-GOSISDBHSA-N 0 3 365.429 3.548 1 0 FHAFHN O=C1Nc2ccccc2[C@@H]1CCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000084466495 132198787 /nfs/dbraw/zinc/19/87/87/132198787.db2.gz YNDUSHJSFHOHRB-FQEVSTJZSA-N 0 3 367.468 3.854 1 0 FHAFHN COc1ccccc1[C@H]1CC[C@H](N2CCN(c3ccccn3)CC2)CC1 ZINC000100086264 132232200 /nfs/dbraw/zinc/23/22/00/132232200.db2.gz FCPLDXWPGMEXLL-KDURUIRLSA-N 0 3 351.494 3.939 1 0 FHAFHN COc1ccc(-c2cc3cccc4c3c(c2)C(=O)N(CCN(C)C)C4=O)cc1 ZINC000096939897 222144614 /nfs/dbraw/zinc/14/46/14/222144614.db2.gz CYIFXBMRTIRZOA-UHFFFAOYSA-N 0 3 374.440 3.673 1 0 FHAFHN