smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1oc2c(ccc([O-])c2C[N@@H+]2CCCC[C@@H]2C)c(=O)c1-c1ccccc1 ZINC000020437983 210235401 /nfs/dbraw/zinc/23/54/01/210235401.db2.gz SUNBMLHSCFCBOB-HNNXBMFYSA-N 0 1 363.457 4.848 50 10 FJCAMN Cc1oc2ccc([O-])c(C[NH+]3CCCC3)c2c1C(=O)Nc1ccccc1C ZINC000005182481 204195480 /nfs/dbraw/zinc/19/54/80/204195480.db2.gz GPTAINYKSPZZPU-UHFFFAOYSA-N 0 1 364.445 4.603 50 10 FJCAMN CCN(CC(=O)Nc1c(C)cccc1C(C)C)Cc1ccc(N(C)C)cc1 ZINC000007362302 204296030 /nfs/dbraw/zinc/29/60/30/204296030.db2.gz PLXZJLOKYTZQRB-UHFFFAOYSA-N 0 1 367.537 4.645 50 10 FJCAMN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000055292103 136126422 /nfs/dbraw/zinc/12/64/22/136126422.db2.gz LDXCULSBMPWTTP-UHFFFAOYSA-N 0 1 371.695 4.675 50 10 FJCAMN Cc1c([C@@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])cnn1-c1cccc(F)c1 ZINC000012386989 570741373 /nfs/dbraw/zinc/74/13/73/570741373.db2.gz VSSMZQQKGDUHPV-GFCCVEGCSA-N 0 1 359.832 4.530 50 10 FJCAMN Cc1cccc(C(O)=C(c2ccccc2)C2C(=O)c3ccccc3C2=O)c1 ZINC000138161263 571310193 /nfs/dbraw/zinc/31/01/93/571310193.db2.gz DFRFKBCRXDKLCU-HXUWFJFHSA-N 0 1 354.405 4.657 50 10 FJCAMN Cc1oc2c(ccc([O-])c2C[N@@H+]2CCC[C@H](C)C2)c(=O)c1-c1ccccc1 ZINC000020358319 210236893 /nfs/dbraw/zinc/23/68/93/210236893.db2.gz ULLJHZIGKGQYED-HNNXBMFYSA-N 0 1 363.457 4.706 50 10 FJCAMN CN(C)c1ccc([C@H]2NCc3c4c(sc3-n3cccc32)CCCC4)cc1 ZINC000020864998 211297927 /nfs/dbraw/zinc/29/79/27/211297927.db2.gz JGRBNJYXZZPJIL-OAQYLSRUSA-N 0 1 363.530 4.676 50 10 FJCAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cccc(Cl)c1Cl ZINC000100148607 570500204 /nfs/dbraw/zinc/50/02/04/570500204.db2.gz BRHCXTWZCJKXLT-LCYFTJDESA-N 0 1 364.207 4.851 50 10 FJCAMN Cc1c2ccc([O-])c(C[N@@H+]3CCC[C@H](C)C3)c2oc(=O)c1-c1ccccc1 ZINC000004340367 570749695 /nfs/dbraw/zinc/74/96/95/570749695.db2.gz BRCJYCBBVRVJQJ-HNNXBMFYSA-N 0 1 363.457 4.706 50 10 FJCAMN Oc1ccc(Br)cc1CN1CC=C(c2ccc(F)cc2)CC1 ZINC000023280000 211381635 /nfs/dbraw/zinc/38/16/35/211381635.db2.gz LBFMDIKAJXIODC-UHFFFAOYSA-N 0 1 362.242 4.583 50 10 FJCAMN CC(C)c1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1cc(F)ccc1S2 ZINC000019801748 211257408 /nfs/dbraw/zinc/25/74/08/211257408.db2.gz GHDSDYSYYYIRMX-FQEVSTJZSA-N 0 1 370.537 4.945 50 10 FJCAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc(Cl)cc1Cl ZINC000015930669 211150512 /nfs/dbraw/zinc/15/05/12/211150512.db2.gz RFZYRNACYBNLHT-ZROIWOOFSA-N 0 1 364.207 4.851 50 10 FJCAMN CC[C@@H]1CCCC[N@H+]1Cc1cc2c3ccccc3c(=O)oc2c(C)c1[O-] ZINC000005047124 570579058 /nfs/dbraw/zinc/57/90/58/570579058.db2.gz JNBMDXZIVGEYAQ-MRXNPFEDSA-N 0 1 351.446 4.725 50 10 FJCAMN Oc1cc2c(cc1[C@H](c1ccc(Cl)cc1Cl)N1CCCC1)OCO2 ZINC000020732151 570924614 /nfs/dbraw/zinc/92/46/14/570924614.db2.gz RBUDZFBOOYUMQV-SFHVURJKSA-N 0 1 366.244 4.613 50 10 FJCAMN CCCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[N@H+]1CCCC[C@@H]1CC ZINC000020332023 211275623 /nfs/dbraw/zinc/27/56/23/211275623.db2.gz YVJZCSTYCGPQEY-AWEZNQCLSA-N 0 1 363.885 4.869 50 10 FJCAMN Cc1cccc(N2CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)c1C ZINC000055292239 132303398 /nfs/dbraw/zinc/30/33/98/132303398.db2.gz YKHYCXJLFPDDIW-UHFFFAOYSA-N 0 1 365.304 4.638 50 10 FJCAMN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000055292213 136126449 /nfs/dbraw/zinc/12/64/49/136126449.db2.gz IEXUVPDZUXXOBY-UHFFFAOYSA-N 0 1 371.695 4.675 50 10 FJCAMN CC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccccc3)coc21 ZINC000019866586 571207949 /nfs/dbraw/zinc/20/79/49/571207949.db2.gz CKOMMXJXPJPPKZ-KRWDZBQOSA-N 0 1 363.457 4.930 50 10 FJCAMN Cc1cccc(C(O)=C(c2ccccc2)C2C(=O)c3ccccc3C2=O)c1 ZINC000138161145 571310281 /nfs/dbraw/zinc/31/02/81/571310281.db2.gz DFRFKBCRXDKLCU-FQEVSTJZSA-N 0 1 354.405 4.657 50 10 FJCAMN C[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(-c3ccccc3)coc21 ZINC000019792790 210234958 /nfs/dbraw/zinc/23/49/58/210234958.db2.gz NROHXHKICKNGSJ-UHFFFAOYSA-N 0 1 371.436 4.798 50 10 FJCAMN CSc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccc(F)cc1S2 ZINC000019802242 211256745 /nfs/dbraw/zinc/25/67/45/211256745.db2.gz WXERULFFOFICFF-SFHVURJKSA-N 0 1 374.550 4.543 50 10 FJCAMN CN1CCN(C2=Cc3ccc(Cl)cc3Sc3ccc(F)cc32)CC1 ZINC000019802386 211256339 /nfs/dbraw/zinc/25/63/39/211256339.db2.gz IAMLCAUGORULLB-UHFFFAOYSA-N 0 1 360.885 4.689 50 10 FJCAMN CCCCn1c(C)c(C(=O)OCC)c2c1ccc([O-])c2C[NH+]1CCCCC1 ZINC000002994065 570548370 /nfs/dbraw/zinc/54/83/70/570548370.db2.gz XWXJRRBEWXZTBJ-UHFFFAOYSA-N 0 1 372.509 4.618 50 10 FJCAMN CCN(CC)c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000004981005 570615636 /nfs/dbraw/zinc/61/56/36/570615636.db2.gz CYEKFUILCJPNQQ-UHFFFAOYSA-N 0 1 357.929 4.508 50 10 FJCAMN CN(C)c1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1 ZINC000006693949 570652001 /nfs/dbraw/zinc/65/20/01/570652001.db2.gz NWSBMFCGHFXKPH-UHFFFAOYSA-N 0 1 362.477 4.815 50 10 FJCAMN O=c1cc(Nc2c3ccccc3[nH+]c3ccccc32)[n-]n1-c1ccccc1 ZINC000100887994 570800042 /nfs/dbraw/zinc/80/00/42/570800042.db2.gz RLAZSYOEHXTGHD-UHFFFAOYSA-N 0 1 352.397 4.611 50 10 FJCAMN CC(C)c1ccc(-c2c3c(=O)[nH]nc-3[nH]c3c2C(=O)c2ccccc2-3)cc1 ZINC000018196274 211193824 /nfs/dbraw/zinc/19/38/24/211193824.db2.gz VTUYKRGHCGSPST-UHFFFAOYSA-N 0 1 355.397 4.665 50 10 FJCAMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21 ZINC000000934312 210291627 /nfs/dbraw/zinc/29/16/27/210291627.db2.gz ARHMXGGUMSXGFS-IYBDPMFKSA-N 0 1 363.457 4.929 50 10 biogenic,in-vitro FJCAMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])cc(C)c2c3ccccc3c(=O)oc12 ZINC000000629663 567891975 /nfs/dbraw/zinc/89/19/75/567891975.db2.gz UKJAVIXLTRJIIJ-OAHLLOKOSA-N 0 1 351.446 4.725 50 10 FJCAMN O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000012755601 570759977 /nfs/dbraw/zinc/75/99/77/570759977.db2.gz FRZPVUVHBAIXLY-MRXNPFEDSA-N 0 1 363.379 4.506 50 10 FJCAMN Cc1oc2ccc([O-])c(C[NH+]3CCCCC3)c2c1C(=O)Nc1ccccc1 ZINC000005182500 204195311 /nfs/dbraw/zinc/19/53/11/204195311.db2.gz GZCGJHBUFHVUIS-UHFFFAOYSA-N 0 1 364.445 4.685 50 10 FJCAMN O=C1C(=CNc2cccc(Cl)c2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000100329291 222241645 /nfs/dbraw/zinc/24/16/45/222241645.db2.gz MXLLOFSHBBOLBU-UVTDQMKNSA-N 0 1 365.742 4.601 50 10 FJCAMN CN1CCN(C2=Cc3cc(Cl)ccc3Sc3cc(F)ccc32)CC1 ZINC000019802378 570903339 /nfs/dbraw/zinc/90/33/39/570903339.db2.gz LXXWKTMDVBORIZ-UHFFFAOYSA-N 0 1 360.885 4.689 50 10 FJCAMN Oc1cc2c(cc1[C@@H](c1ccc(Cl)cc1Cl)N1CCCC1)OCO2 ZINC000020732154 570924485 /nfs/dbraw/zinc/92/44/85/570924485.db2.gz RBUDZFBOOYUMQV-GOSISDBHSA-N 0 1 366.244 4.613 50 10 FJCAMN CC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc([O-])c(C[NH+](C)C)c21 ZINC000068755393 571153553 /nfs/dbraw/zinc/15/35/53/571153553.db2.gz QGTKAAYSMFDDBR-UHFFFAOYSA-N 0 1 356.853 4.562 50 10 FJCAMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccccc3)coc21 ZINC000019866582 571208061 /nfs/dbraw/zinc/20/80/61/571208061.db2.gz CKOMMXJXPJPPKZ-QGZVFWFLSA-N 0 1 363.457 4.930 50 10 FJCAMN CN(C)c1ccc([C@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000001201467 570491925 /nfs/dbraw/zinc/49/19/25/570491925.db2.gz SWSDQWXCFXYOME-HSZRJFAPSA-N 0 1 369.468 4.837 50 10 FJCAMN CN(C)c1ccc([C@@H]2NCc3c4c(sc3-n3cccc32)CCCC4)cc1 ZINC000020864995 570926278 /nfs/dbraw/zinc/92/62/78/570926278.db2.gz JGRBNJYXZZPJIL-NRFANRHFSA-N 0 1 363.530 4.676 50 10 FJCAMN O=c1[nH]n(C2CCCCCCC2)c2nc3c(cc12)oc1c3ccc(O)c1O ZINC000095475078 571330763 /nfs/dbraw/zinc/33/07/63/571330763.db2.gz NBMKOSANLYVROZ-UHFFFAOYSA-N 0 1 367.405 4.733 50 10 FJCAMN Oc1cc2c(cc1[C@H](c1ccc(Cl)c(Cl)c1)N1CCCC1)OCO2 ZINC000005890799 207121694 /nfs/dbraw/zinc/12/16/94/207121694.db2.gz PALXEUVWNGHGKV-SFHVURJKSA-N 0 1 366.244 4.613 50 10 FJCAMN Cc1ccc(O)c(CN2CCCn3cccc3[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000036348686 208155817 /nfs/dbraw/zinc/15/58/17/208155817.db2.gz FFVXXWSXQVRLCA-QFIPXVFZSA-N 0 1 368.427 4.776 50 10 FJCAMN Cc1ccc([C@H](c2cc([N+](=O)[O-])ccc2[O-])[N@@H+](C)Cc2ccccc2)cc1 ZINC000048252112 208392712 /nfs/dbraw/zinc/39/27/12/208392712.db2.gz OXCKRQBCQZWUPV-JOCHJYFZSA-N 0 1 362.429 4.830 50 10 FJCAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc(Cl)cc1Cl ZINC000100148617 570524360 /nfs/dbraw/zinc/52/43/60/570524360.db2.gz RFZYRNACYBNLHT-NTEUORMPSA-N 0 1 364.207 4.851 50 10 FJCAMN C[N@H+](Cc1ccccc1N1CCCCC1)Cc1c([O-])ccc2ccncc21 ZINC000012516516 571173781 /nfs/dbraw/zinc/17/37/81/571173781.db2.gz GYNXLZRKXYLSHX-UHFFFAOYSA-N 0 1 361.489 4.563 50 10 FJCAMN C[N@@H+](Cc1ccccc1N1CCCCC1)Cc1c([O-])ccc2ccncc21 ZINC000012516516 571173784 /nfs/dbraw/zinc/17/37/84/571173784.db2.gz GYNXLZRKXYLSHX-UHFFFAOYSA-N 0 1 361.489 4.563 50 10 FJCAMN CC1=NN(c2ccccc2)C(=S)C1C=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000013590187 220077138 /nfs/dbraw/zinc/07/71/38/220077138.db2.gz SDWADIQSZIPNGF-UVTDQMKNSA-N 0 1 372.837 4.768 50 10 FJCAMN Cc1c([C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])cnn1-c1cccc(F)c1 ZINC000012386990 207368047 /nfs/dbraw/zinc/36/80/47/207368047.db2.gz VSSMZQQKGDUHPV-LBPRGKRZSA-N 0 1 359.832 4.530 50 10 FJCAMN C[N@@H+](Cc1c([O-])ccc2c(=O)c(-c3ccccc3)coc21)C1CCCCC1 ZINC000019792789 220296355 /nfs/dbraw/zinc/29/63/55/220296355.db2.gz DSQUXBQVEJUUOM-UHFFFAOYSA-N 0 1 363.457 4.930 50 10 FJCAMN CCCCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[N@H+]1CCC[C@H](C)C1 ZINC000020362928 220324671 /nfs/dbraw/zinc/32/46/71/220324671.db2.gz CFJJUQDNDHRZJU-ZDUSSCGKSA-N 0 1 363.885 4.727 50 10 FJCAMN Cc1oc2ccc([O-])c(C[N@@H+]3CCCC[C@H]3C)c2c1C(=O)OCC(C)C ZINC000005182524 570630092 /nfs/dbraw/zinc/63/00/92/570630092.db2.gz KARCTBDZJCECSU-CQSZACIVSA-N 0 1 359.466 4.634 50 10 FJCAMN Cc1oc2ccc([O-])c(C[N@H+]3CCCC[C@H]3C)c2c1C(=O)OCC(C)C ZINC000005182524 570630095 /nfs/dbraw/zinc/63/00/95/570630095.db2.gz KARCTBDZJCECSU-CQSZACIVSA-N 0 1 359.466 4.634 50 10 FJCAMN Cc1oc2ccc([O-])c(C[N@@H+]3CCCC[C@@H]3C)c2c1C(=O)OCC(C)C ZINC000005182522 207085819 /nfs/dbraw/zinc/08/58/19/207085819.db2.gz KARCTBDZJCECSU-AWEZNQCLSA-N 0 1 359.466 4.634 50 10 FJCAMN Cc1oc2ccc([O-])c(C[N@H+]3CCCC[C@@H]3C)c2c1C(=O)OCC(C)C ZINC000005182522 207085823 /nfs/dbraw/zinc/08/58/23/207085823.db2.gz KARCTBDZJCECSU-AWEZNQCLSA-N 0 1 359.466 4.634 50 10 FJCAMN CC(C)c1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1cc(F)ccc1S2 ZINC000019801746 220299709 /nfs/dbraw/zinc/29/97/09/220299709.db2.gz GHDSDYSYYYIRMX-HXUWFJFHSA-N 0 1 370.537 4.945 50 10 FJCAMN C[N@@H+](Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21)C1CCCCC1 ZINC000000934316 570464117 /nfs/dbraw/zinc/46/41/17/570464117.db2.gz NWYXJTXDLWTYPX-UHFFFAOYSA-N 0 1 363.457 4.930 50 10 FJCAMN COc1ccc(OC)c(-c2ccc([O-])c(C[NH+]3CCCCCCC3)c2)c1 ZINC000012213705 570728216 /nfs/dbraw/zinc/72/82/16/570728216.db2.gz PHINHKMJFLDNBT-UHFFFAOYSA-N 0 1 355.478 4.843 50 10 FJCAMN CCc1c(C)c2cc(Cl)c([O-])c(C[N@@H+]3CCCC[C@@H]3CC)c2oc1=O ZINC000020393898 570915167 /nfs/dbraw/zinc/91/51/67/570915167.db2.gz PFDDGUWIRTVZEM-ZDUSSCGKSA-N 0 1 363.885 4.787 50 10 FJCAMN Oc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1ccccc1Cl ZINC000036347409 571248570 /nfs/dbraw/zinc/24/85/70/571248570.db2.gz SKGQIYCYFNCTJQ-OAQYLSRUSA-N 0 1 352.865 4.842 50 10 FJCAMN Oc1ccccc1CN1CCCn2cccc2[C@H]1c1ccccc1Cl ZINC000036347409 571248571 /nfs/dbraw/zinc/24/85/71/571248571.db2.gz SKGQIYCYFNCTJQ-OAQYLSRUSA-N 0 1 352.865 4.842 50 10 FJCAMN Oc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1ccccc1Cl ZINC000036347408 571248638 /nfs/dbraw/zinc/24/86/38/571248638.db2.gz SKGQIYCYFNCTJQ-NRFANRHFSA-N 0 1 352.865 4.842 50 10 FJCAMN Oc1ccccc1CN1CCCn2cccc2[C@@H]1c1ccccc1Cl ZINC000036347408 571248639 /nfs/dbraw/zinc/24/86/39/571248639.db2.gz SKGQIYCYFNCTJQ-NRFANRHFSA-N 0 1 352.865 4.842 50 10 FJCAMN Cc1oc2c(ccc([O-])c2C[N@@H+]2CCC[C@@H](C)C2)c(=O)c1-c1ccccc1 ZINC000020358318 571328882 /nfs/dbraw/zinc/32/88/82/571328882.db2.gz ULLJHZIGKGQYED-OAHLLOKOSA-N 0 1 363.457 4.706 50 10 FJCAMN CCOC(=O)c1c(-c2ccccc2)oc2ccc([O-])c(C[NH+]3CCCC3)c21 ZINC000002667116 571340364 /nfs/dbraw/zinc/34/03/64/571340364.db2.gz VIMMVCAKDVTEMS-UHFFFAOYSA-N 0 1 365.429 4.578 50 10 FJCAMN CCc1cc2c3ccccc3c(=O)oc2c(C[N@@H+]2CCCC[C@H]2CC)c1[O-] ZINC000000943871 219344517 /nfs/dbraw/zinc/34/45/17/219344517.db2.gz RNHXDLGXQCNNDE-MRXNPFEDSA-N 0 1 365.473 4.979 50 10 FJCAMN CN(Cc1nc2ccccc2n1C(F)F)Cc1c(O)ccc2ccccc21 ZINC000012519916 220001694 /nfs/dbraw/zinc/00/16/94/220001694.db2.gz ZOKOWDPXNVTREX-UHFFFAOYSA-N 0 1 367.399 4.922 50 10 FJCAMN CC1=NN(c2ccccc2)C(=O)C1=C(Nc1ccccc1)c1ccccc1 ZINC000016694189 220190977 /nfs/dbraw/zinc/19/09/77/220190977.db2.gz OFRORPCBQQSJPG-QURGRASLSA-N 0 1 353.425 4.933 50 10 FJCAMN CC[C@H]1CCCC[N@H+]1Cc1cc2c3ccccc3c(=O)oc2c(C)c1[O-] ZINC000005047125 207074757 /nfs/dbraw/zinc/07/47/57/207074757.db2.gz JNBMDXZIVGEYAQ-INIZCTEOSA-N 0 1 351.446 4.725 50 10 FJCAMN Cc1ccc(O)c(CN2CCCn3cccc3[C@H]2c2ccc(F)c(F)c2)c1 ZINC000036348688 208155665 /nfs/dbraw/zinc/15/56/65/208155665.db2.gz FFVXXWSXQVRLCA-JOCHJYFZSA-N 0 1 368.427 4.776 50 10 FJCAMN Cc1ccc([C@@H](c2cc([N+](=O)[O-])ccc2[O-])[N@@H+](C)Cc2ccccc2)cc1 ZINC000048252110 208394408 /nfs/dbraw/zinc/39/44/08/208394408.db2.gz OXCKRQBCQZWUPV-QFIPXVFZSA-N 0 1 362.429 4.830 50 10 FJCAMN O=C1C(=CNc2ccc(Cl)cc2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000100329288 222241649 /nfs/dbraw/zinc/24/16/49/222241649.db2.gz BOYNNPDUKHAALX-UVTDQMKNSA-N 0 1 365.742 4.601 50 10 FJCAMN CC[C@H]1CCCC[N@H+]1Cc1c([O-])cc(C)c2c3ccccc3c(=O)oc12 ZINC000000629660 567891991 /nfs/dbraw/zinc/89/19/91/567891991.db2.gz UKJAVIXLTRJIIJ-HNNXBMFYSA-N 0 1 351.446 4.725 50 10 FJCAMN O=C1C(=CNc2ccc(Cl)cc2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000100408648 570556027 /nfs/dbraw/zinc/55/60/27/570556027.db2.gz BOYNNPDUKHAALX-GXDHUFHOSA-N 0 1 365.742 4.601 50 10 FJCAMN CCSc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 ZINC000022862155 570695648 /nfs/dbraw/zinc/69/56/48/570695648.db2.gz VYXXGHOLHGJJSI-IBGZPJMESA-N 0 1 370.587 4.794 50 10 FJCAMN O=C(c1ccco1)c1coc2ccc([O-])c(C[N@H+]3CCc4ccccc4C3)c12 ZINC000217945735 571351742 /nfs/dbraw/zinc/35/17/42/571351742.db2.gz XIUAHAFEHGNAJR-UHFFFAOYSA-N 0 1 373.408 4.521 50 10 FJCAMN CN1CCN(C2=Cc3ccccc3Sc3cc(F)c(Cl)cc32)CC1 ZINC000019802391 220298588 /nfs/dbraw/zinc/29/85/88/220298588.db2.gz IJPYWKZIRIFQGO-UHFFFAOYSA-N 0 1 360.885 4.689 50 10 FJCAMN Cc1oc2c(ccc([O-])c2C[N@@H+]2CCCC[C@H]2C)c(=O)c1-c1ccccc1 ZINC000020437978 263380556 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