smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+]1CCCC[C@@H]1CCN1c2ccccc2Sc2ccccc21 ZINC000000000698 563739733 /nfs/dbraw/zinc/73/97/33/563739733.db2.gz PURCCNBPWTXDHB-MRXNPFEDSA-N 1 1 324.493 5.164 50 0 DKAAMO CCOc1ccccc1Nc1cc(C)[nH+]c2ccc(Cl)cc12 ZINC000000071635 563628708 /nfs/dbraw/zinc/62/87/08/563628708.db2.gz ORJKUMHXLOSVDC-UHFFFAOYSA-N 1 1 312.800 5.339 50 0 DKAAMO Cc1cc(Nc2cccc3ccccc32)c2cc(Cl)ccc2[nH+]1 ZINC000000143859 563223297 /nfs/dbraw/zinc/22/32/97/563223297.db2.gz UISQERNKAOCCQM-UHFFFAOYSA-N 1 1 318.807 6.093 50 0 DKAAMO Cc1cc(Nc2ccc(C)c(Cl)c2)c2cc(Cl)ccc2[nH+]1 ZINC000000143869 563223290 /nfs/dbraw/zinc/22/32/90/563223290.db2.gz ASFNLCLCMHXVQH-UHFFFAOYSA-N 1 1 317.219 5.902 50 0 DKAAMO Cc1cc(Nc2cccc(Cl)c2)c2cc(Cl)ccc2[nH+]1 ZINC000000143873 563572516 /nfs/dbraw/zinc/57/25/16/563572516.db2.gz DXZIUYBOFJIGRQ-UHFFFAOYSA-N 1 1 303.192 5.594 50 0 DKAAMO CC(=O)c1cccc(Nc2cc(C)[nH+]c3ccc(Cl)cc23)c1 ZINC000000143885 563223165 /nfs/dbraw/zinc/22/31/65/563223165.db2.gz QNQRJFBLJCBKQK-UHFFFAOYSA-N 1 1 310.784 5.143 50 0 DKAAMO Cc1[nH+]c2ccc(F)cc2c2c1CCN2c1ccc(Cl)cc1 ZINC000000158995 563225709 /nfs/dbraw/zinc/22/57/09/563225709.db2.gz FXTBQKMGRYHTIP-UHFFFAOYSA-N 1 1 312.775 5.030 50 0 DKAAMO Cc1ccccc1-c1[nH+]c2ccccn2c1NC1CCCCC1 ZINC000000319851 563588402 /nfs/dbraw/zinc/58/84/02/563588402.db2.gz FFRHYYXOCJXREN-UHFFFAOYSA-N 1 1 305.425 5.054 50 0 DKAAMO Cc1cccc(-c2[nH+]c3ccccn3c2NC2CCCCC2)c1 ZINC000000319856 563588101 /nfs/dbraw/zinc/58/81/01/563588101.db2.gz IXCDPUMFEOAYSX-UHFFFAOYSA-N 1 1 305.425 5.054 50 0 DKAAMO Cc1ccc(-c2[nH+]c3cccc(C)n3c2NC2CCCCC2)cc1 ZINC000000319871 563588146 /nfs/dbraw/zinc/58/81/46/563588146.db2.gz DETBXMJBIUQUTA-UHFFFAOYSA-N 1 1 319.452 5.363 50 0 DKAAMO Cc1cccc2[nH+]c(-c3cccc(F)c3)c(NC3CCCCC3)n21 ZINC000000319888 563588278 /nfs/dbraw/zinc/58/82/78/563588278.db2.gz NVGAHSHZVKOCTD-UHFFFAOYSA-N 1 1 323.415 5.193 50 0 DKAAMO Cc1ccccc1-c1[nH+]c2cccc(C)n2c1NC1CCCCC1 ZINC000000319892 563588018 /nfs/dbraw/zinc/58/80/18/563588018.db2.gz ZVANKJNQUGSAGQ-UHFFFAOYSA-N 1 1 319.452 5.363 50 0 DKAAMO Cc1ccn2c(c1)[nH+]c(-c1ccc(F)cc1)c2NC1CCCCC1 ZINC000000319923 563588162 /nfs/dbraw/zinc/58/81/62/563588162.db2.gz DQBQWVAIULOYFC-UHFFFAOYSA-N 1 1 323.415 5.193 50 0 DKAAMO Cc1ccn2c(c1)[nH+]c(-c1cccc(C)c1)c2NC1CCCCC1 ZINC000000319952 563588229 /nfs/dbraw/zinc/58/82/29/563588229.db2.gz KMZXIOJTOLPEMW-UHFFFAOYSA-N 1 1 319.452 5.363 50 0 DKAAMO Cc1ccc(-c2[nH+]c3ccc(C)cn3c2NC2CCCCC2)cc1 ZINC000000320054 563587916 /nfs/dbraw/zinc/58/79/16/563587916.db2.gz DXJQFQSNYBZWNO-UHFFFAOYSA-N 1 1 319.452 5.363 50 0 DKAAMO Cc1ccc2[nH+]c(-c3ccc(F)cc3)c(NC3CCCCC3)n2c1 ZINC000000320056 563588172 /nfs/dbraw/zinc/58/81/72/563588172.db2.gz UHXNRXSEWILUON-UHFFFAOYSA-N 1 1 323.415 5.193 50 0 DKAAMO Cc1ccc2[nH+]c(-c3cccs3)c(NC3CCCCC3)n2c1 ZINC000000320059 563616251 /nfs/dbraw/zinc/61/62/51/563616251.db2.gz QSSVWQQDXAKFFX-UHFFFAOYSA-N 1 1 311.454 5.116 50 0 DKAAMO Cc1ccc2[nH+]c(-c3ccccc3F)c(NC3CCCCC3)n2c1 ZINC000000320064 563587935 /nfs/dbraw/zinc/58/79/35/563587935.db2.gz YJICFQYZHMLMHZ-UHFFFAOYSA-N 1 1 323.415 5.193 50 0 DKAAMO Cc1ccc2[nH+]c(-c3cccc(F)c3)c(NC3CCCCC3)n2c1 ZINC000000320090 563588290 /nfs/dbraw/zinc/58/82/90/563588290.db2.gz GBJAZKFLUPENRE-UHFFFAOYSA-N 1 1 323.415 5.193 50 0 DKAAMO Cc1cccc(-c2[nH+]c3ccc(C)cn3c2NC2CCCCC2)c1 ZINC000000320096 563587998 /nfs/dbraw/zinc/58/79/98/563587998.db2.gz PXTFVGIJFGRIQO-UHFFFAOYSA-N 1 1 319.452 5.363 50 0 DKAAMO Cc1ccn2c(c1)[nH+]c(-c1ccc(Cl)cc1)c2NC(C)(C)C ZINC000000320198 563587986 /nfs/dbraw/zinc/58/79/86/563587986.db2.gz ZMBFGENVCCTNEF-UHFFFAOYSA-N 1 1 313.832 5.174 50 0 DKAAMO Cc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC(C)(C)C)cc1 ZINC000000320248 563588068 /nfs/dbraw/zinc/58/80/68/563588068.db2.gz GLCRZWHGEHCSNJ-UHFFFAOYSA-N 1 1 313.832 5.174 50 0 DKAAMO Cc1cccc(-c2[nH+]c3ccc(Cl)cn3c2NC(C)(C)C)c1 ZINC000000320281 563588297 /nfs/dbraw/zinc/58/82/97/563588297.db2.gz FMZHJOYYXXHWMS-UHFFFAOYSA-N 1 1 313.832 5.174 50 0 DKAAMO Cc1ccc(-c2[nH+]c3cc(C)cc(C)n3c2NC(C)(C)C)cc1 ZINC000000320295 563588011 /nfs/dbraw/zinc/58/80/11/563588011.db2.gz HGWRTIPBYNMVFW-UHFFFAOYSA-N 1 1 307.441 5.137 50 0 DKAAMO Cc1cccc(-c2[nH+]c3cc(C)cc(C)n3c2NC(C)(C)C)c1 ZINC000000320312 563588346 /nfs/dbraw/zinc/58/83/46/563588346.db2.gz FJCIRALOWQESLU-UHFFFAOYSA-N 1 1 307.441 5.137 50 0 DKAAMO Cc1ccc2[nH+]c(-c3cccc(Cl)c3)c(NC(C)(C)C)n2c1 ZINC000000320398 563588080 /nfs/dbraw/zinc/58/80/80/563588080.db2.gz JZWLADPECZWFGS-UHFFFAOYSA-N 1 1 313.832 5.174 50 0 DKAAMO CCCc1[nH+]c2ccc(Cl)cn2c1Nc1c(C)cccc1C ZINC000000320475 563588393 /nfs/dbraw/zinc/58/83/93/563588393.db2.gz UWXFNTQBKMREIE-UHFFFAOYSA-N 1 1 313.832 5.301 50 0 DKAAMO Cc1[nH+]c2ccc(Cl)cc2c2c1CCN2c1ccc(F)cc1 ZINC000000344204 563242576 /nfs/dbraw/zinc/24/25/76/563242576.db2.gz LOACRZGVRDEQGR-UHFFFAOYSA-N 1 1 312.775 5.030 50 0 DKAAMO CC(C)n1c2ccccc2[nH+]c1Nc1cccc(C(F)(F)F)c1 ZINC000000513198 563264271 /nfs/dbraw/zinc/26/42/71/563264271.db2.gz BJPPIUPXELRXCC-UHFFFAOYSA-N 1 1 319.330 5.380 50 0 DKAAMO CCOc1cc2c[nH+]c(Nc3ccc(C)cc3)cc2cc1OCC ZINC000000544146 563668811 /nfs/dbraw/zinc/66/88/11/563668811.db2.gz BRRNYJXRETUWAM-UHFFFAOYSA-N 1 1 322.408 5.084 50 0 DKAAMO CCn1c2ccccc2c2cc(C[N@@H+](C)C3CCCCC3)ccc21 ZINC000001226461 563279945 /nfs/dbraw/zinc/27/99/45/563279945.db2.gz PQTRMKPUVIERPN-UHFFFAOYSA-N 1 1 320.480 5.579 50 0 DKAAMO CCn1c2ccccc2c2cc(C[N@H+]3CCC[C@@H](C)C3)ccc21 ZINC000001227982 563279969 /nfs/dbraw/zinc/27/99/69/563279969.db2.gz UEEBUAJMNRUEMM-MRXNPFEDSA-N 1 1 306.453 5.046 50 0 DKAAMO CCn1c2ccccc2c2cc(C[N@H+]3CCC[C@H](C)C3)ccc21 ZINC000001227983 563279985 /nfs/dbraw/zinc/27/99/85/563279985.db2.gz UEEBUAJMNRUEMM-INIZCTEOSA-N 1 1 306.453 5.046 50 0 DKAAMO C[N@H+]1CCC[C@H](CC2c3ccccc3Sc3ccccc32)C1 ZINC000001481877 563284807 /nfs/dbraw/zinc/28/48/07/563284807.db2.gz MJFJKKXQDNNUJF-OAHLLOKOSA-N 1 1 309.478 5.015 50 0 world DKAAMO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc21 ZINC000001530975 563284932 /nfs/dbraw/zinc/28/49/32/563284932.db2.gz ABJKWBDEJIDSJZ-UHFFFAOYSA-N 1 1 317.476 5.769 50 0 fda DKAAMO C[N@H+]1CCC[C@@H](CC2c3ccccc3Sc3ccccc32)C1 ZINC000001713960 563293082 /nfs/dbraw/zinc/29/30/82/563293082.db2.gz MJFJKKXQDNNUJF-HNNXBMFYSA-N 1 1 309.478 5.015 50 0 world DKAAMO CC(C)[N@@H+](Cc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000002165402 563300726 /nfs/dbraw/zinc/30/07/26/563300726.db2.gz BSJOUDQYCYZHPW-UHFFFAOYSA-N 1 1 315.460 5.687 50 0 DKAAMO CCCCCCOc1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000002498568 563304645 /nfs/dbraw/zinc/30/46/45/563304645.db2.gz DOIJTQQECCDIJV-UHFFFAOYSA-N 1 1 323.480 5.204 50 0 DKAAMO c1ccc(C[PH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000002560506 563308939 /nfs/dbraw/zinc/30/89/39/563308939.db2.gz IFXORIIYQORRMJ-UHFFFAOYSA-N 1 1 304.373 6.069 50 0 DKAAMO CC[C@@H](C)c1ccccc1OCCC[N@@H+](C)Cc1ccccc1 ZINC000002825394 563913143 /nfs/dbraw/zinc/91/31/43/563913143.db2.gz VKZUXKFTDPLPAS-GOSISDBHSA-N 1 1 311.469 5.101 50 0 DKAAMO CC[C@H](C)c1ccccc1OCCC[N@@H+](C)Cc1ccccc1 ZINC000002825395 563913081 /nfs/dbraw/zinc/91/30/81/563913081.db2.gz VKZUXKFTDPLPAS-SFHVURJKSA-N 1 1 311.469 5.101 50 0 DKAAMO CCCC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(C)c1C ZINC000002893729 180968672 /nfs/dbraw/zinc/96/86/72/180968672.db2.gz KPHVTZSOWDALPT-UHFFFAOYSA-N 1 1 311.469 5.114 50 0 DKAAMO CCCCOc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000002893947 257243034 /nfs/dbraw/zinc/24/30/34/257243034.db2.gz KDUKYMOEZIVCGG-UYAOXDASSA-N 1 1 301.474 5.020 50 0 DKAAMO CC1=C(CC[N@H+]2CCc3c4ccccc4[nH]c3C2)C(C)(C)CCC1 ZINC000003681002 257267431 /nfs/dbraw/zinc/26/74/31/257267431.db2.gz VVYCDZPRXXKNFO-UHFFFAOYSA-N 1 1 322.496 5.443 50 0 DKAAMO Cc1ccn2c(c1)[nH+]c(-c1ccsc1)c2NC1CCCCC1 ZINC000003911509 181057199 /nfs/dbraw/zinc/05/71/99/181057199.db2.gz DAPWMGMOFDDMJB-UHFFFAOYSA-N 1 1 311.454 5.116 50 0 DKAAMO Cc1ccc2[nH+]c(-c3ccsc3)c(NC3CCCCC3)n2c1 ZINC000003911523 181057578 /nfs/dbraw/zinc/05/75/78/181057578.db2.gz MFCNGMHJWBBFPA-UHFFFAOYSA-N 1 1 311.454 5.116 50 0 DKAAMO Clc1ccc2[nH+]c(-c3ccsc3)c(NC3CCCC3)n2c1 ZINC000003911545 181057502 /nfs/dbraw/zinc/05/75/02/181057502.db2.gz DIDZAVPKCSYVCB-UHFFFAOYSA-N 1 1 317.845 5.071 50 0 DKAAMO CC(C)(C)c1ccc(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000004105065 181073363 /nfs/dbraw/zinc/07/33/63/181073363.db2.gz YNKWUVLSHVENDA-NRFANRHFSA-N 1 1 321.508 5.439 50 0 DKAAMO CC(C)(C)c1ccc(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000004105066 181073657 /nfs/dbraw/zinc/07/36/57/181073657.db2.gz YNKWUVLSHVENDA-OAQYLSRUSA-N 1 1 321.508 5.439 50 0 DKAAMO CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2)[nH+]c2ccccn21 ZINC000004382584 181103998 /nfs/dbraw/zinc/10/39/98/181103998.db2.gz BQQVXAKLLUOCHN-UHFFFAOYSA-N 1 1 321.468 5.628 50 0 DKAAMO CC(C)N(c1cc(-c2ccccc2)[nH+]c2ccccc21)C(C)C ZINC000004541727 181121677 /nfs/dbraw/zinc/12/16/77/181121677.db2.gz FYDLFZXVVHRADN-UHFFFAOYSA-N 1 1 304.437 5.525 50 0 DKAAMO C[C@@H]1CCCCN1c1cc(-c2ccccc2)[nH+]c2ccccc21 ZINC000004541730 181122053 /nfs/dbraw/zinc/12/20/53/181122053.db2.gz XLXHACQUHHKCON-MRXNPFEDSA-N 1 1 302.421 5.281 50 0 DKAAMO C[C@H]1CCCCN1c1cc(-c2ccccc2)[nH+]c2ccccc21 ZINC000004541731 181122075 /nfs/dbraw/zinc/12/20/75/181122075.db2.gz XLXHACQUHHKCON-INIZCTEOSA-N 1 1 302.421 5.281 50 0 DKAAMO Cc1c2c(c(C)c(C)c1C)[C@]13CCCCC1=C1CCCC[C@]21[N@@H+]3C ZINC000004558293 181124376 /nfs/dbraw/zinc/12/43/76/181124376.db2.gz GPSBRQAKDZTRLX-ZRZAMGCNSA-N 1 1 321.508 5.714 50 0 DKAAMO Cc1ccc(C[N@@H+](CCc2ccccc2)Cc2ccccc2)cc1 ZINC000004599645 181128668 /nfs/dbraw/zinc/12/86/68/181128668.db2.gz PRUGBXMBFSNOSN-UHFFFAOYSA-N 1 1 315.460 5.240 50 0 DKAAMO Cc1ccccc1Nc1c2cc(Cl)ccc2[nH+]c2c1CCCC2 ZINC000004924066 181173445 /nfs/dbraw/zinc/17/34/45/181173445.db2.gz NBZRXAJOTZHTLL-UHFFFAOYSA-N 1 1 322.839 5.819 50 0 DKAAMO COc1ccccc1Nc1c2c([nH+]c3ccc(Cl)cc31)CCC2 ZINC000004924078 181173984 /nfs/dbraw/zinc/17/39/84/181173984.db2.gz AARPYILELGZQEV-UHFFFAOYSA-N 1 1 324.811 5.129 50 0 DKAAMO Fc1ccc(Nc2c3c([nH+]c4ccc(Cl)cc42)CCC3)cc1 ZINC000004924084 181173461 /nfs/dbraw/zinc/17/34/61/181173461.db2.gz FSZCIWVOTYRBAO-UHFFFAOYSA-N 1 1 312.775 5.260 50 0 DKAAMO Fc1ccccc1Nc1c2c([nH+]c3ccc(Cl)cc31)CCC2 ZINC000004924133 181173667 /nfs/dbraw/zinc/17/36/67/181173667.db2.gz SYGGKEBPPGOCHQ-UHFFFAOYSA-N 1 1 312.775 5.260 50 0 DKAAMO COc1cccc(Nc2c3c([nH+]c4ccc(Cl)cc42)CCC3)c1 ZINC000004924141 181173603 /nfs/dbraw/zinc/17/36/03/181173603.db2.gz HEWNYLARGZOITI-UHFFFAOYSA-N 1 1 324.811 5.129 50 0 DKAAMO CCc1ccc(Nc2c3c([nH+]c4ccc(Cl)cc42)CCC3)cc1 ZINC000004924199 181173902 /nfs/dbraw/zinc/17/39/02/181173902.db2.gz DNDODRQFBDNGIX-UHFFFAOYSA-N 1 1 322.839 5.683 50 0 DKAAMO CCc1cccc(Nc2c3c([nH+]c4ccc(Cl)cc42)CCC3)c1 ZINC000004924247 181173994 /nfs/dbraw/zinc/17/39/94/181173994.db2.gz XQSQRWDZXWYGEB-UHFFFAOYSA-N 1 1 322.839 5.683 50 0 DKAAMO Cc1ccccc1Nc1c2c([nH+]c3ccc(Cl)cc31)CCC2 ZINC000004924263 181173980 /nfs/dbraw/zinc/17/39/80/181173980.db2.gz OFJPGYAFNUAHOK-UHFFFAOYSA-N 1 1 308.812 5.429 50 0 DKAAMO CCc1ccccc1Nc1c2c([nH+]c3ccc(Cl)cc31)CCC2 ZINC000004924269 181173515 /nfs/dbraw/zinc/17/35/15/181173515.db2.gz NCCZGDJWDCHDML-UHFFFAOYSA-N 1 1 322.839 5.683 50 0 DKAAMO CCCC[N@@H+](C/C=C/c1ccccc1OC)Cc1ccccc1 ZINC000004988236 181185343 /nfs/dbraw/zinc/18/53/43/181185343.db2.gz DLYIEASAMSNPJV-GXDHUFHOSA-N 1 1 309.453 5.011 50 0 DKAAMO C[C@@H]1CCCC[N@H+]1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004988277 181185258 /nfs/dbraw/zinc/18/52/58/181185258.db2.gz DSFVTRCLYACVIR-OAHLLOKOSA-N 1 1 317.517 5.362 50 0 DKAAMO C[C@H]1CCCC[N@H+]1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004988281 181185089 /nfs/dbraw/zinc/18/50/89/181185089.db2.gz DSFVTRCLYACVIR-HNNXBMFYSA-N 1 1 317.517 5.362 50 0 DKAAMO CCCC[N@@H+](C)Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000004988330 181185920 /nfs/dbraw/zinc/18/59/20/181185920.db2.gz MSZWPBDCARXIDK-UHFFFAOYSA-N 1 1 303.833 5.364 50 0 DKAAMO C[C@@H]1CCC[N@@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000004988783 181185855 /nfs/dbraw/zinc/18/58/55/181185855.db2.gz HDJMLRURBDOEBG-OAHLLOKOSA-N 1 1 315.844 5.364 50 0 DKAAMO C[C@H]1CCC[N@@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000004988785 181185981 /nfs/dbraw/zinc/18/59/81/181185981.db2.gz HDJMLRURBDOEBG-HNNXBMFYSA-N 1 1 315.844 5.364 50 0 DKAAMO CCCCOc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000004989112 181185968 /nfs/dbraw/zinc/18/59/68/181185968.db2.gz KDUKYMOEZIVCGG-QUCCMNQESA-N 1 1 301.474 5.020 50 0 DKAAMO CCCCOc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000004989113 181186198 /nfs/dbraw/zinc/18/61/98/181186198.db2.gz KDUKYMOEZIVCGG-ICSRJNTNSA-N 1 1 301.474 5.020 50 0 DKAAMO Cc1[nH+]c2sc3c(c2c(N)c1Cc1ccccc1)CCCCC3 ZINC000005091595 181203096 /nfs/dbraw/zinc/20/30/96/181203096.db2.gz FHTGWPPOKDRKHK-UHFFFAOYSA-N 1 1 322.477 5.047 50 0 DKAAMO Cc1cc(Nc2ccccc2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000005520700 181253268 /nfs/dbraw/zinc/25/32/68/181253268.db2.gz JAYHIQLHYZOPOY-UHFFFAOYSA-N 1 1 302.299 5.306 50 0 DKAAMO Cc1ccc(Nc2cc(C)[nH+]c3cc(C(F)(F)F)ccc23)cc1 ZINC000005520704 181253389 /nfs/dbraw/zinc/25/33/89/181253389.db2.gz IXWFDOLRTXTFDX-UHFFFAOYSA-N 1 1 316.326 5.614 50 0 DKAAMO C[N@@H+](CCCc1ccccc1)C1(c2cccs2)CCCCC1 ZINC000005668499 181269325 /nfs/dbraw/zinc/26/93/25/181269325.db2.gz QGOGOFSXGBOMML-UHFFFAOYSA-N 1 1 313.510 5.472 50 0 DKAAMO C[C@H](Nc1cc[nH+]c2cc(Cl)ccc12)c1ccccc1Cl ZINC000005937040 181297793 /nfs/dbraw/zinc/29/77/93/181297793.db2.gz TWDVJZQCVYCIRD-NSHDSACASA-N 1 1 317.219 5.715 50 0 DKAAMO C[C@@H](Nc1cc[nH+]c2cc(Cl)ccc12)c1ccccc1Cl ZINC000005937042 181297888 /nfs/dbraw/zinc/29/78/88/181297888.db2.gz TWDVJZQCVYCIRD-LLVKDONJSA-N 1 1 317.219 5.715 50 0 DKAAMO Cc1cc(Nc2ccc(N(C)C)cc2)c2cc(Cl)ccc2[nH+]1 ZINC000006043953 181307695 /nfs/dbraw/zinc/30/76/95/181307695.db2.gz MPMRBXOTQOAFPJ-UHFFFAOYSA-N 1 1 311.816 5.006 50 0 DKAAMO Cc1[nH+]c(C)c(Cl)c(NC2CCCCCCC2)c1Cl ZINC000006200328 181318544 /nfs/dbraw/zinc/31/85/44/181318544.db2.gz JXHMRGVCOKIFQC-UHFFFAOYSA-N 1 1 301.261 5.530 50 0 DKAAMO CCOc1ccc(Nc2cc(C)[nH+]c3ccc(Cl)cc23)cc1 ZINC000006207521 181319212 /nfs/dbraw/zinc/31/92/12/181319212.db2.gz NQNAQPVPGUVZAF-UHFFFAOYSA-N 1 1 312.800 5.339 50 0 DKAAMO Clc1ccc2c(NCc3ccccc3Cl)cc[nH+]c2c1 ZINC000006579616 181356076 /nfs/dbraw/zinc/35/60/76/181356076.db2.gz BKWYYORQEMZFMX-UHFFFAOYSA-N 1 1 303.192 5.154 50 0 DKAAMO c1ccc(Oc2cccc(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)c2)cc1 ZINC000006667517 181367930 /nfs/dbraw/zinc/36/79/30/181367930.db2.gz XKNVBYIFCUFQJA-KNQAVFIVSA-N 1 1 321.464 5.634 50 0 DKAAMO c1ccc(Oc2cccc(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)c2)cc1 ZINC000006667518 181368096 /nfs/dbraw/zinc/36/80/96/181368096.db2.gz XKNVBYIFCUFQJA-UGKGYDQZSA-N 1 1 321.464 5.634 50 0 DKAAMO Clc1ccccc1C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000007387533 563905698 /nfs/dbraw/zinc/90/56/98/563905698.db2.gz PEDBMOLSFMZXJX-UHFFFAOYSA-N 1 1 305.808 5.200 50 0 DKAAMO Clc1ccc(-c2ccc(C[NH2+]Cc3ccco3)o2)c(Cl)c1 ZINC000007539331 568412429 /nfs/dbraw/zinc/41/24/29/568412429.db2.gz DNMJGVWTXCMAEP-UHFFFAOYSA-N 1 1 322.191 5.136 50 0 DKAAMO Cc1oc(-c2cccc3ccccc32)nc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000014975924 563404857 /nfs/dbraw/zinc/40/48/57/563404857.db2.gz TURYWZRWOFDXLU-OAHLLOKOSA-N 1 1 320.436 5.035 50 0 DKAAMO Cc1oc(-c2cccc3ccccc32)nc1C[N@@H+]1CCC[C@H](C)C1 ZINC000014975926 563404871 /nfs/dbraw/zinc/40/48/71/563404871.db2.gz TURYWZRWOFDXLU-HNNXBMFYSA-N 1 1 320.436 5.035 50 0 DKAAMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000015836716 182020637 /nfs/dbraw/zinc/02/06/37/182020637.db2.gz VEUBRQLUSBANPF-LJQANCHMSA-N 1 1 315.844 5.076 50 0 DKAAMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000015836719 182020593 /nfs/dbraw/zinc/02/05/93/182020593.db2.gz VEUBRQLUSBANPF-IBGZPJMESA-N 1 1 315.844 5.076 50 0 DKAAMO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(OC(C)C)cc2)c1 ZINC000015836828 182020548 /nfs/dbraw/zinc/02/05/48/182020548.db2.gz FWZQEYTWFPPBJG-OAQYLSRUSA-N 1 1 309.453 5.119 50 0 DKAAMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(OC(C)C)cc2)c1 ZINC000015836831 182020483 /nfs/dbraw/zinc/02/04/83/182020483.db2.gz FWZQEYTWFPPBJG-NRFANRHFSA-N 1 1 309.453 5.119 50 0 DKAAMO Fc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000015837389 182020460 /nfs/dbraw/zinc/02/04/60/182020460.db2.gz VGGUXBJBUCOJID-KRWDZBQOSA-N 1 1 323.333 5.182 50 0 DKAAMO Fc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000015837393 182020419 /nfs/dbraw/zinc/02/04/19/182020419.db2.gz VGGUXBJBUCOJID-QGZVFWFLSA-N 1 1 323.333 5.182 50 0 DKAAMO c1ccc(Oc2cccc(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)c2)cc1 ZINC000016662779 182056643 /nfs/dbraw/zinc/05/66/43/182056643.db2.gz XKNVBYIFCUFQJA-SIKLNZKXSA-N 1 1 321.464 5.634 50 0 DKAAMO c1ccc(Oc2cccc(C[N@H+]3CCC[C@H]4CCCC[C@H]43)c2)cc1 ZINC000016662782 182056816 /nfs/dbraw/zinc/05/68/16/182056816.db2.gz XKNVBYIFCUFQJA-DENIHFKCSA-N 1 1 321.464 5.634 50 0 DKAAMO c1ccc(Oc2cccc(C[N@H+]3CCc4ccccc4C3)c2)cc1 ZINC000019536613 182129315 /nfs/dbraw/zinc/12/93/15/182129315.db2.gz HHIAYBJWTPMSIB-UHFFFAOYSA-N 1 1 315.416 5.037 50 0 DKAAMO Fc1ccccc1C[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020169537 563417089 /nfs/dbraw/zinc/41/70/89/563417089.db2.gz FXYJSGMBMJBPBX-UHFFFAOYSA-N 1 1 319.423 5.071 50 0 DKAAMO S=c1scc(-c2ccc(Cl)cc2)n1C[NH+]1CCCCC1 ZINC000020479070 182222457 /nfs/dbraw/zinc/22/24/57/182222457.db2.gz KQDSJVRWZVQPMZ-UHFFFAOYSA-N 1 1 324.902 5.043 50 0 DKAAMO Clc1ccc(-c2ccc(C[N@H+]3CCc4ccccc4C3)o2)cc1 ZINC000023280524 563448686 /nfs/dbraw/zinc/44/86/86/563448686.db2.gz CSENXGDKPYQEDY-UHFFFAOYSA-N 1 1 323.823 5.158 50 0 DKAAMO C[C@H](c1cccs1)[N@@H+](C)Cn1c(=S)sc2ccccc21 ZINC000024602623 182385571 /nfs/dbraw/zinc/38/55/71/182385571.db2.gz LUFJYBMSSNOLNZ-LLVKDONJSA-N 1 1 320.508 5.144 50 0 DKAAMO C[C@H](c1cccs1)[N@H+](C)Cn1c(=S)sc2ccccc21 ZINC000024602623 182385568 /nfs/dbraw/zinc/38/55/68/182385568.db2.gz LUFJYBMSSNOLNZ-LLVKDONJSA-N 1 1 320.508 5.144 50 0 DKAAMO C[C@@H](c1cccs1)[N@@H+](C)Cn1c(=S)sc2ccccc21 ZINC000024602625 182385537 /nfs/dbraw/zinc/38/55/37/182385537.db2.gz LUFJYBMSSNOLNZ-NSHDSACASA-N 1 1 320.508 5.144 50 0 DKAAMO C[C@@H](c1cccs1)[N@H+](C)Cn1c(=S)sc2ccccc21 ZINC000024602625 182385534 /nfs/dbraw/zinc/38/55/34/182385534.db2.gz LUFJYBMSSNOLNZ-NSHDSACASA-N 1 1 320.508 5.144 50 0 DKAAMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3cccs3)co2)cc1 ZINC000024963531 182395946 /nfs/dbraw/zinc/39/59/46/182395946.db2.gz NBOKZOHWJWSGOG-QGZVFWFLSA-N 1 1 324.449 5.049 50 0 DKAAMO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3cccs3)co2)cc1 ZINC000024963531 182395944 /nfs/dbraw/zinc/39/59/44/182395944.db2.gz NBOKZOHWJWSGOG-QGZVFWFLSA-N 1 1 324.449 5.049 50 0 DKAAMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3cccs3)co2)cc1 ZINC000024963536 182396344 /nfs/dbraw/zinc/39/63/44/182396344.db2.gz NBOKZOHWJWSGOG-KRWDZBQOSA-N 1 1 324.449 5.049 50 0 DKAAMO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3cccs3)co2)cc1 ZINC000024963536 182396342 /nfs/dbraw/zinc/39/63/42/182396342.db2.gz NBOKZOHWJWSGOG-KRWDZBQOSA-N 1 1 324.449 5.049 50 0 DKAAMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000030005508 563436442 /nfs/dbraw/zinc/43/64/42/563436442.db2.gz PWPCOSCOFNVKPF-CYBMUJFWSA-N 1 1 322.433 5.236 50 0 DKAAMO C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000030005508 563436440 /nfs/dbraw/zinc/43/64/40/563436440.db2.gz PWPCOSCOFNVKPF-CYBMUJFWSA-N 1 1 322.433 5.236 50 0 DKAAMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000030005509 563436092 /nfs/dbraw/zinc/43/60/92/563436092.db2.gz PWPCOSCOFNVKPF-ZDUSSCGKSA-N 1 1 322.433 5.236 50 0 DKAAMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000030005509 563436089 /nfs/dbraw/zinc/43/60/89/563436089.db2.gz PWPCOSCOFNVKPF-ZDUSSCGKSA-N 1 1 322.433 5.236 50 0 DKAAMO Fc1ccc(C[N@H+]2CCCCC[C@@H]2c2cccs2)cc1F ZINC000033087052 563443728 /nfs/dbraw/zinc/44/37/28/563443728.db2.gz CEFNEASFTJKHEJ-MRXNPFEDSA-N 1 1 307.409 5.144 50 0 DKAAMO Fc1ccc(C[N@H+]2CCCCC[C@H]2c2cccs2)cc1F ZINC000033087053 563444452 /nfs/dbraw/zinc/44/44/52/563444452.db2.gz CEFNEASFTJKHEJ-INIZCTEOSA-N 1 1 307.409 5.144 50 0 DKAAMO Fc1cccc(C[N@H+]2CCCCC[C@@H]2c2cccs2)c1F ZINC000033087120 563444236 /nfs/dbraw/zinc/44/42/36/563444236.db2.gz LJORUBFYJRFSAC-OAHLLOKOSA-N 1 1 307.409 5.144 50 0 DKAAMO Fc1cccc(C[N@H+]2CCCCC[C@H]2c2cccs2)c1F ZINC000033087121 563444428 /nfs/dbraw/zinc/44/44/28/563444428.db2.gz LJORUBFYJRFSAC-HNNXBMFYSA-N 1 1 307.409 5.144 50 0 DKAAMO CSc1ccc(C[N@H+]2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087184 563443974 /nfs/dbraw/zinc/44/39/74/563443974.db2.gz QQPRDMPTVRVUMU-QGZVFWFLSA-N 1 1 317.523 5.587 50 0 DKAAMO CSc1ccc(C[N@H+]2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087185 563444322 /nfs/dbraw/zinc/44/43/22/563444322.db2.gz QQPRDMPTVRVUMU-KRWDZBQOSA-N 1 1 317.523 5.587 50 0 DKAAMO Clc1cccc(C[N@H+]2CCCCC[C@@H]2c2cccs2)c1 ZINC000033087198 563444411 /nfs/dbraw/zinc/44/44/11/563444411.db2.gz IRKLGVZHQKWXST-MRXNPFEDSA-N 1 1 305.874 5.519 50 0 DKAAMO Clc1cccc(C[N@H+]2CCCCC[C@H]2c2cccs2)c1 ZINC000033087199 563444125 /nfs/dbraw/zinc/44/41/25/563444125.db2.gz IRKLGVZHQKWXST-INIZCTEOSA-N 1 1 305.874 5.519 50 0 DKAAMO Cc1ccsc1[C@@H]1CCCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000033087200 563444184 /nfs/dbraw/zinc/44/41/84/563444184.db2.gz YIOWOWZCWFUMDM-KRWDZBQOSA-N 1 1 319.901 5.827 50 0 DKAAMO Cc1ccsc1[C@H]1CCCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000033087201 563444308 /nfs/dbraw/zinc/44/43/08/563444308.db2.gz YIOWOWZCWFUMDM-QGZVFWFLSA-N 1 1 319.901 5.827 50 0 DKAAMO CCOc1ccccc1C[N@H+]1CCCCC[C@@H]1c1cccs1 ZINC000033087266 563443854 /nfs/dbraw/zinc/44/38/54/563443854.db2.gz VURSUXALYDVTGA-QGZVFWFLSA-N 1 1 315.482 5.264 50 0 DKAAMO CCOc1ccccc1C[N@H+]1CCCCC[C@H]1c1cccs1 ZINC000033087267 563444062 /nfs/dbraw/zinc/44/40/62/563444062.db2.gz VURSUXALYDVTGA-KRWDZBQOSA-N 1 1 315.482 5.264 50 0 DKAAMO Fc1ccc(C[N@H+]2CCCCC[C@@H]2c2cccs2)c(F)c1 ZINC000033087282 563444194 /nfs/dbraw/zinc/44/41/94/563444194.db2.gz ZZAWGARLQYGEDW-MRXNPFEDSA-N 1 1 307.409 5.144 50 0 DKAAMO Fc1ccc(C[N@H+]2CCCCC[C@H]2c2cccs2)c(F)c1 ZINC000033087283 563444369 /nfs/dbraw/zinc/44/43/69/563444369.db2.gz ZZAWGARLQYGEDW-INIZCTEOSA-N 1 1 307.409 5.144 50 0 DKAAMO Clc1ccc(C[N@H+]2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087318 563444442 /nfs/dbraw/zinc/44/44/42/563444442.db2.gz QSIWTEZWQXEBFL-MRXNPFEDSA-N 1 1 305.874 5.519 50 0 DKAAMO Clc1ccc(C[N@H+]2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087319 563444285 /nfs/dbraw/zinc/44/42/85/563444285.db2.gz QSIWTEZWQXEBFL-INIZCTEOSA-N 1 1 305.874 5.519 50 0 DKAAMO Clc1ccccc1C[N@H+]1CCCCC[C@@H]1c1cccs1 ZINC000033087324 563444852 /nfs/dbraw/zinc/44/48/52/563444852.db2.gz HXECSOHHZCQJPL-MRXNPFEDSA-N 1 1 305.874 5.519 50 0 DKAAMO Clc1ccccc1C[N@H+]1CCCCC[C@H]1c1cccs1 ZINC000033087325 563444866 /nfs/dbraw/zinc/44/48/66/563444866.db2.gz HXECSOHHZCQJPL-INIZCTEOSA-N 1 1 305.874 5.519 50 0 DKAAMO C[N@@H+](Cc1ccccc1)Cc1cncc(-c2ccc(Cl)cc2)c1 ZINC000034670331 563311284 /nfs/dbraw/zinc/31/12/84/563311284.db2.gz NJRKWIQMVHEEMX-UHFFFAOYSA-N 1 1 322.839 5.034 50 0 DKAAMO Cc1ccccc1-c1[nH+]c2ccc(Cl)cn2c1NC(C)(C)C ZINC000035701985 563878853 /nfs/dbraw/zinc/87/88/53/563878853.db2.gz CZMUBFJOZBGBJA-UHFFFAOYSA-N 1 1 313.832 5.174 50 0 DKAAMO CC(C)CC[N@H+]1CCCn2cccc2[C@@H]1c1ccc(C(C)C)cc1 ZINC000037522393 563918316 /nfs/dbraw/zinc/91/83/16/563918316.db2.gz QVEZDMIOBYJHHX-QFIPXVFZSA-N 1 1 324.512 5.453 50 0 DKAAMO CC(C)CC[N@H+]1CCCn2cccc2[C@H]1c1ccc(C(C)C)cc1 ZINC000037522394 563918239 /nfs/dbraw/zinc/91/82/39/563918239.db2.gz QVEZDMIOBYJHHX-JOCHJYFZSA-N 1 1 324.512 5.453 50 0 DKAAMO CCCC[N@H+]1CCCn2cccc2[C@@H]1c1cc(C)c(C)cc1C ZINC000037523561 563918228 /nfs/dbraw/zinc/91/82/28/563918228.db2.gz JZRNVWRPUHRZFZ-NRFANRHFSA-N 1 1 310.485 5.009 50 0 DKAAMO CCCC[N@H+]1CCCn2cccc2[C@H]1c1cc(C)c(C)cc1C ZINC000037523562 563918339 /nfs/dbraw/zinc/91/83/39/563918339.db2.gz JZRNVWRPUHRZFZ-OAQYLSRUSA-N 1 1 310.485 5.009 50 0 DKAAMO Cc1cc(C)cc(-c2cncc(C[N@H+](C)C3CCCCC3)c2)c1 ZINC000037554233 563918661 /nfs/dbraw/zinc/91/86/61/563918661.db2.gz ACLFNAZZMIGKCY-UHFFFAOYSA-N 1 1 308.469 5.130 50 0 DKAAMO CN(CCC(C)(C)C)[C@@H]1CCCC[C@H]1[N@@H+](C)CCC(C)(C)C ZINC000044075624 183393635 /nfs/dbraw/zinc/39/36/35/183393635.db2.gz VGCWVKVNKNXOGZ-QZTJIDSGSA-N 1 1 310.570 5.034 50 0 DKAAMO CN(CCC(C)(C)C)[C@H]1CCCC[C@@H]1[N@@H+](C)CCC(C)(C)C ZINC000044075626 183393376 /nfs/dbraw/zinc/39/33/76/183393376.db2.gz VGCWVKVNKNXOGZ-ROUUACIJSA-N 1 1 310.570 5.034 50 0 DKAAMO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1coc(-c2cccs2)n1 ZINC000048286107 563694843 /nfs/dbraw/zinc/69/48/43/563694843.db2.gz IUIXRXBXIBNAGF-KRWDZBQOSA-N 1 1 324.449 5.049 50 0 DKAAMO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1coc(-c2cccs2)n1 ZINC000048286109 563694684 /nfs/dbraw/zinc/69/46/84/563694684.db2.gz IUIXRXBXIBNAGF-QGZVFWFLSA-N 1 1 324.449 5.049 50 0 DKAAMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccsc3)co2)cc1 ZINC000048287077 563694608 /nfs/dbraw/zinc/69/46/08/563694608.db2.gz XWAQAEDZCIRHGV-GOSISDBHSA-N 1 1 324.449 5.049 50 0 DKAAMO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccsc3)co2)cc1 ZINC000048287077 563694603 /nfs/dbraw/zinc/69/46/03/563694603.db2.gz XWAQAEDZCIRHGV-GOSISDBHSA-N 1 1 324.449 5.049 50 0 DKAAMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3ccsc3)co2)cc1 ZINC000048287079 563695116 /nfs/dbraw/zinc/69/51/16/563695116.db2.gz XWAQAEDZCIRHGV-SFHVURJKSA-N 1 1 324.449 5.049 50 0 DKAAMO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccsc3)co2)cc1 ZINC000048287079 563695113 /nfs/dbraw/zinc/69/51/13/563695113.db2.gz XWAQAEDZCIRHGV-SFHVURJKSA-N 1 1 324.449 5.049 50 0 DKAAMO CC[N@@H+](Cn1c2ccccc2sc1=S)C1CCCCC1 ZINC000057497545 184040434 /nfs/dbraw/zinc/04/04/34/184040434.db2.gz JXEXBBINRORTET-UHFFFAOYSA-N 1 1 306.500 5.044 50 0 DKAAMO FC(F)(F)[C@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000057552155 184042231 /nfs/dbraw/zinc/04/22/31/184042231.db2.gz HZSFWLIGMYFESD-ZDUSSCGKSA-N 1 1 317.354 5.031 50 0 DKAAMO FC(F)(F)[C@@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000057552159 184042035 /nfs/dbraw/zinc/04/20/35/184042035.db2.gz HZSFWLIGMYFESD-CYBMUJFWSA-N 1 1 317.354 5.031 50 0 DKAAMO Cc1noc(C)c1C[N@H+]([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000058202660 184087564 /nfs/dbraw/zinc/08/75/64/184087564.db2.gz RSACCLYVKSRBMT-HNNXBMFYSA-N 1 1 320.436 5.170 50 0 DKAAMO Cc1noc(C)c1C[N@H+]([C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000058202661 184087593 /nfs/dbraw/zinc/08/75/93/184087593.db2.gz RSACCLYVKSRBMT-OAHLLOKOSA-N 1 1 320.436 5.170 50 0 DKAAMO C[C@@H](C1CC1)[N@@H+](Cc1nc2ccccc2s1)Cc1ccccc1 ZINC000058371976 563478795 /nfs/dbraw/zinc/47/87/95/563478795.db2.gz VYOGAWVEKSNVKW-HNNXBMFYSA-N 1 1 322.477 5.097 50 0 DKAAMO C[C@H](C1CC1)[N@@H+](Cc1nc2ccccc2s1)Cc1ccccc1 ZINC000058371978 563478783 /nfs/dbraw/zinc/47/87/83/563478783.db2.gz VYOGAWVEKSNVKW-OAHLLOKOSA-N 1 1 322.477 5.097 50 0 DKAAMO Cc1cc(C[N@@H+](Cc2cccc3ccccc32)C2CCCC2)no1 ZINC000060789334 184155836 /nfs/dbraw/zinc/15/58/36/184155836.db2.gz APLQOXWLNZFUGE-UHFFFAOYSA-N 1 1 320.436 5.081 50 0 DKAAMO C[N@H+]1CCCC[C@@H]1c1cccc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000075273597 563862145 /nfs/dbraw/zinc/86/21/45/563862145.db2.gz BOZUOQUXGHKAHZ-GOSISDBHSA-N 1 1 320.263 5.817 50 0 DKAAMO C[N@H+]1CCCC[C@H]1c1cccc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000075273601 563862187 /nfs/dbraw/zinc/86/21/87/563862187.db2.gz BOZUOQUXGHKAHZ-SFHVURJKSA-N 1 1 320.263 5.817 50 0 DKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000096027617 563935143 /nfs/dbraw/zinc/93/51/43/563935143.db2.gz BWQCOHRVHXDDDT-KDURUIRLSA-N 1 1 323.480 5.056 50 0 DKAAMO C[N@@H+](Cc1ccccc1)C(C)(C)Cc1cccc(C(F)(F)F)c1 ZINC000096027730 563935018 /nfs/dbraw/zinc/93/50/18/563935018.db2.gz DEFIKXGSFSNLOD-UHFFFAOYSA-N 1 1 321.386 5.159 50 0 DKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCC=C(c1ccccc1)c1ccccc1 ZINC000096027796 563935032 /nfs/dbraw/zinc/93/50/32/563935032.db2.gz UOSLRCMDNGAFDM-BGYRXZFFSA-N 1 1 319.492 5.771 50 0 DKAAMO CCCCOc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC000229912771 563773535 /nfs/dbraw/zinc/77/35/35/563773535.db2.gz KDUKYMOEZIVCGG-AZUAARDMSA-N 1 1 301.474 5.020 50 0 DKAAMO