smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cnn(C2CN(Cc3c([O-])ccc(Cl)c3F)C2)c1 ZINC000364831208 526256918 /nfs/dbraw/zinc/25/69/18/526256918.db2.gz VVDYUUVMPLTIJC-UHFFFAOYSA-N -1 0 295.745 2.747 20 10 CFCDRM O=C1NC(=S)S/C1=C/c1coc(-c2ccccc2)n1 ZINC000731835789 574130424 /nfs/dbraw/zinc/13/04/24/574130424.db2.gz QNWYCGBLIFTXII-UXBLZVDNSA-N -1 0 288.353 2.830 20 10 CFCDRM CN(C)c1ccc(CN[C@H](C(=O)[O-])c2cccs2)cc1 ZINC000756338499 574226629 /nfs/dbraw/zinc/22/66/29/574226629.db2.gz LUYXHYXEBSFQBB-AWEZNQCLSA-N -1 0 290.388 2.730 20 10 CFCDRM O=C([O-])NCc1ccc2c(c1)CCCN2Cc1cccnc1 ZINC000740674915 574260922 /nfs/dbraw/zinc/26/09/22/574260922.db2.gz WJKBOJYQJFUSPU-UHFFFAOYSA-N -1 0 297.358 2.802 20 10 CFCDRM O=C([O-])NCc1ccc2c(c1)CCCN2C/C=C\Cl ZINC000740673399 574260946 /nfs/dbraw/zinc/26/09/46/574260946.db2.gz ATRJSVFJJJQNCQ-KXFIGUGUSA-N -1 0 280.755 2.959 20 10 CFCDRM Cc1ccc(F)c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000734981650 574308942 /nfs/dbraw/zinc/30/89/42/574308942.db2.gz SMYSDYPELUUUGI-UVTDQMKNSA-N -1 0 296.301 2.596 20 10 CFCDRM O=C([O-])[C@H](OC(=O)C1=CC(=O)CS1)c1ccccc1F ZINC000833351481 600667392 /nfs/dbraw/zinc/66/73/92/600667392.db2.gz MQFFHAFMVIJBIZ-LLVKDONJSA-N -1 0 296.275 2.576 20 10 CFCDRM C[C@@H]1C[C@@H](C)N(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000164666486 600707545 /nfs/dbraw/zinc/70/75/45/600707545.db2.gz HDXWNQHFYYMZHR-JYBZGJHDSA-N -1 0 290.319 2.927 20 10 CFCDRM C[C@@H]1CCCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000215856569 601378434 /nfs/dbraw/zinc/37/84/34/601378434.db2.gz DECRYYRQKPUKIK-ONRRBMGISA-N -1 0 276.292 2.681 20 10 CFCDRM CCc1oc(C(=O)[O-])cc1COc1ccc(C=O)cc1 ZINC000830395246 601388423 /nfs/dbraw/zinc/38/84/23/601388423.db2.gz WOTZXQXFVFUBPR-UHFFFAOYSA-N -1 0 274.272 2.932 20 10 CFCDRM COc1ccc(N(C)Cc2occc2C(=O)[O-])cc1F ZINC000832378656 601969701 /nfs/dbraw/zinc/96/97/01/601969701.db2.gz PRAKZLZPGPJERR-UHFFFAOYSA-N -1 0 279.267 2.762 20 10 CFCDRM CCC[N@H+](CC(=O)[O-])Cc1cc(Cl)cc(Cl)c1[O-] ZINC000086776048 604474503 /nfs/dbraw/zinc/47/45/03/604474503.db2.gz HUYKCOXVNHXHHU-UHFFFAOYSA-N -1 0 292.162 2.996 20 10 CFCDRM CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000833419509 605548797 /nfs/dbraw/zinc/54/87/97/605548797.db2.gz FTELURKNNCXOJM-LBPRGKRZSA-N -1 0 295.354 2.854 20 10 CFCDRM O=C([O-])N1CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000834098482 606008385 /nfs/dbraw/zinc/00/83/85/606008385.db2.gz KRGANMOCJXGIRJ-JTQLQIEISA-N -1 0 298.770 2.525 20 10 CFCDRM O=C([O-])N1CCC(C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000834077344 606008415 /nfs/dbraw/zinc/00/84/15/606008415.db2.gz GUZJTJCVCYYQGZ-UHFFFAOYSA-N -1 0 298.770 2.525 20 10 CFCDRM CCC[C@@H](OCC)C(=O)NCc1cccc(Cl)c1O ZINC000890761094 617839891 /nfs/dbraw/zinc/83/98/91/617839891.db2.gz KNNYWWKVULWRFW-GFCCVEGCSA-N -1 0 285.771 2.867 20 10 CFCDRM C[C@H]1C[NH+](Cc2cc(F)cc(F)c2[O-])C[C@H](C)S1 ZINC000893977857 618258872 /nfs/dbraw/zinc/25/88/72/618258872.db2.gz KVOGTZRATAFUEO-IUCAKERBSA-N -1 0 273.348 2.996 20 10 CFCDRM CC(C)(C)OC1CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000895468424 618601332 /nfs/dbraw/zinc/60/13/32/618601332.db2.gz UGYYBGZLJPAEPC-UHFFFAOYSA-N -1 0 271.307 2.670 20 10 CFCDRM CC1=CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000313796313 619010539 /nfs/dbraw/zinc/01/05/39/619010539.db2.gz MRJDCXKUNYFDIZ-ALCCZGGFSA-N -1 0 288.303 2.849 20 10 CFCDRM C/C=C/C[C@H](NCc1cc(F)cc(F)c1[O-])C(=O)OCC ZINC000894563771 619418502 /nfs/dbraw/zinc/41/85/02/619418502.db2.gz WKSHFCQOLYTCCO-LQPUYASZSA-N -1 0 299.317 2.658 20 10 CFCDRM [O-]c1c(F)cc(F)cc1CN1CCOC[C@H]1CC(F)F ZINC000894757223 619458755 /nfs/dbraw/zinc/45/87/55/619458755.db2.gz RNFSCIHRSRUJQW-SNVBAGLBSA-N -1 0 293.260 2.526 20 10 CFCDRM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000151873320 619969582 /nfs/dbraw/zinc/96/95/82/619969582.db2.gz LIROMXXPOYSUMO-UHFFFAOYSA-N -1 0 299.298 2.780 20 10 CFCDRM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2F)ccc1O ZINC000148636694 620251708 /nfs/dbraw/zinc/25/17/08/620251708.db2.gz KPYVUIBZPAWYKS-UHFFFAOYSA-N -1 0 299.298 2.780 20 10 CFCDRM CC(C)(CCC(=O)[O-])C(=O)NCc1cc(Cl)ccc1O ZINC000911331220 622517842 /nfs/dbraw/zinc/51/78/42/622517842.db2.gz NJJJNIBWGAEUBM-UHFFFAOYSA-N -1 0 299.754 2.553 20 10 CFCDRM [O-]c1cc(F)c(Cl)cc1CNC(CF)CF ZINC000824555829 623523626 /nfs/dbraw/zinc/52/36/26/623523626.db2.gz XPQDQHDSJMLSHT-UHFFFAOYSA-N -1 0 253.651 2.582 20 10 CFCDRM COCCN(CCF)Cc1cc(Cl)cc(F)c1[O-] ZINC000827054116 623932730 /nfs/dbraw/zinc/93/27/30/623932730.db2.gz LYHQUWNIZXJNNB-UHFFFAOYSA-N -1 0 279.714 2.603 20 10 CFCDRM O=C([O-])/C=C/c1ccc(N2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000851705922 634480106 /nfs/dbraw/zinc/48/01/06/634480106.db2.gz YZMUSHGFTGSCQZ-VNPHXJNISA-N -1 0 288.303 2.539 20 10 CFCDRM O=C(NCCC1(F)CCC1)NCc1c(O)cccc1F ZINC000922480169 626293542 /nfs/dbraw/zinc/29/35/42/626293542.db2.gz LREMCBKTGPVESY-UHFFFAOYSA-N -1 0 284.306 2.613 20 10 CFCDRM O=[N+]([O-])c1cc(Cl)cc(CN2CC(C(F)F)C2)c1[O-] ZINC000839140860 626528434 /nfs/dbraw/zinc/52/84/34/626528434.db2.gz JQMKHTIZONZIMV-UHFFFAOYSA-N -1 0 292.669 2.651 20 10 CFCDRM O=C(NCc1cccc(Br)c1O)c1ccoc1 ZINC000765751727 627155999 /nfs/dbraw/zinc/15/59/99/627155999.db2.gz JJIYCLUHXBSOHZ-UHFFFAOYSA-N -1 0 296.120 2.678 20 10 CFCDRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(O)cc1C ZINC000775281144 628006625 /nfs/dbraw/zinc/00/66/25/628006625.db2.gz RBANFNUTHNWMGA-UHFFFAOYSA-N -1 0 295.335 2.949 20 10 CFCDRM CC[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000775647818 628049579 /nfs/dbraw/zinc/04/95/79/628049579.db2.gz BCBANBPNVRGHEU-LLVKDONJSA-N -1 0 273.735 2.796 20 10 CFCDRM CC1(C)CN(Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000775654147 628050648 /nfs/dbraw/zinc/05/06/48/628050648.db2.gz HDIPRYKDCBDAEM-UHFFFAOYSA-N -1 0 273.735 2.796 20 10 CFCDRM CC1(O)CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775701356 628056537 /nfs/dbraw/zinc/05/65/37/628056537.db2.gz SGSJRJMEGDCUEA-UHFFFAOYSA-N -1 0 273.735 2.532 20 10 CFCDRM O=S(=O)([N-]c1ccc(O)cc1)c1cc2ccccc2o1 ZINC000776744121 628174148 /nfs/dbraw/zinc/17/41/48/628174148.db2.gz DXTYSYDBYIYXPD-UHFFFAOYSA-N -1 0 289.312 2.939 20 10 CFCDRM O=C(Nc1ccc2c(c1)CCC2)c1c(F)ccc(O)c1[O-] ZINC000789938369 629198570 /nfs/dbraw/zinc/19/85/70/629198570.db2.gz BDHOQBUCPRIZFH-UHFFFAOYSA-N -1 0 287.290 2.978 20 10 CFCDRM O=C(Nc1ccsc1)c1c(F)ccc(O)c1[O-] ZINC000790071513 629208127 /nfs/dbraw/zinc/20/81/27/629208127.db2.gz VZUCMVXAVXDXMF-UHFFFAOYSA-N -1 0 253.254 2.551 20 10 CFCDRM CN(Cc1cn[nH]c1)Cc1c([O-])ccc(Cl)c1F ZINC000792166403 629404034 /nfs/dbraw/zinc/40/40/34/629404034.db2.gz QOLWHXCVYPXIIQ-UHFFFAOYSA-N -1 0 269.707 2.540 20 10 CFCDRM C[C@@H](NC1(C(F)F)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000800502711 630393261 /nfs/dbraw/zinc/39/32/61/630393261.db2.gz XGEVMJUUGURHCR-SSDOTTSWSA-N -1 0 272.251 2.749 20 10 CFCDRM [O-]c1ccc(Cl)c(F)c1CN1CCOCC12CC2 ZINC000802658890 630536413 /nfs/dbraw/zinc/53/64/13/630536413.db2.gz UBGQJSGTOVVCIT-UHFFFAOYSA-N -1 0 271.719 2.550 20 10 CFCDRM CN1C(=O)C2(CCCC2)N[C@H]1c1cc(Cl)c(F)cc1[O-] ZINC000840821229 631231724 /nfs/dbraw/zinc/23/17/24/631231724.db2.gz ZYDYUYUQJJYQPG-GFCCVEGCSA-N -1 0 298.745 2.558 20 10 CFCDRM Cc1cc(O)c(CN2CC(OCC(F)F)C2)c(Cl)c1 ZINC000840953723 631280409 /nfs/dbraw/zinc/28/04/09/631280409.db2.gz XJORPXQXEGVFPS-UHFFFAOYSA-N -1 0 291.725 2.820 20 10 CFCDRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cccc(F)c1[O-] ZINC000840997740 631298032 /nfs/dbraw/zinc/29/80/32/631298032.db2.gz IXUFURXMBXEXDL-HONMWMINSA-N -1 0 293.338 2.749 20 10 CFCDRM COc1ccc2c(c1)CCCCN2C/C=C(\C)C(=O)[O-] ZINC000846253466 632676078 /nfs/dbraw/zinc/67/60/78/632676078.db2.gz JJUXWTXNHDSIBH-XYOKQWHBSA-N -1 0 275.348 2.869 20 10 CFCDRM CN(CC1(C)CCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000846280200 632682618 /nfs/dbraw/zinc/68/26/18/632682618.db2.gz UXUPOTJVYBBNPO-UHFFFAOYSA-N -1 0 263.337 2.776 20 10 CFCDRM CO[C@H](CC(C)C)CN(C)c1ccc(OCC(=O)[O-])cc1 ZINC000846280226 632682666 /nfs/dbraw/zinc/68/26/66/632682666.db2.gz VKRJHBHGLAVHFU-OAHLLOKOSA-N -1 0 295.379 2.647 20 10 CFCDRM Cc1cc(O)c(CN[C@@H](C)c2nccn2C)c(Cl)c1 ZINC000850409956 633981580 /nfs/dbraw/zinc/98/15/80/633981580.db2.gz JKFBWXCDXRVCCF-JTQLQIEISA-N -1 0 279.771 2.938 20 10 CFCDRM O=C1NCc2ccc(NCc3ccc(F)c(F)c3[O-])cc21 ZINC000864028986 637836795 /nfs/dbraw/zinc/83/67/95/637836795.db2.gz RVEDEFXNQZGEOR-UHFFFAOYSA-N -1 0 290.269 2.526 20 10 CFCDRM C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])[C@@H](C)[C@H](C)O1 ZINC000877461648 643281961 /nfs/dbraw/zinc/28/19/61/643281961.db2.gz DLPZSWFROCACTO-UTLUCORTSA-N -1 0 271.307 2.668 20 10 CFCDRM C/C=C\C[C@@H](NCc1ccc(F)c(F)c1[O-])C(=O)OCC ZINC000877477180 643294581 /nfs/dbraw/zinc/29/45/81/643294581.db2.gz ZNKYPGDIDGGHSX-KTLBGCOUSA-N -1 0 299.317 2.658 20 10 CFCDRM C[C@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@@H](C2CC2)O1 ZINC000877488121 643302932 /nfs/dbraw/zinc/30/29/32/643302932.db2.gz XZNGYZVCQCQLBN-ZANVPECISA-N -1 0 283.318 2.670 20 10 CFCDRM C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])CC2(CCC2)O1 ZINC000877607738 643394607 /nfs/dbraw/zinc/39/46/07/643394607.db2.gz KJGNEZPBXSTNGY-SNVBAGLBSA-N -1 0 283.318 2.814 20 10 CFCDRM C[C@H](N[C@@H](C)C(F)F)c1cc(F)cc(F)c1[O-] ZINC000883399701 645795687 /nfs/dbraw/zinc/79/56/87/645795687.db2.gz TYXPLWRDNFWITK-WDSKDSINSA-N -1 0 251.223 2.975 20 10 CFCDRM O=C(NCc1c(O)cccc1F)NCC12CCC(CC1)C2 ZINC001225389695 775439778 /nfs/dbraw/zinc/43/97/78/775439778.db2.gz VUOMAAKNIISGFZ-UHFFFAOYSA-N -1 0 292.354 2.911 20 10 CFCDRM CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001231912321 777380719 /nfs/dbraw/zinc/38/07/19/777380719.db2.gz DPHINSCRTIDIPS-FZMZJTMJSA-N -1 0 267.756 2.799 20 10 CFCDRM [O-]c1c(CN2CCC(F)(F)[C@H](F)C2)ccc(F)c1F ZINC001233074228 777787601 /nfs/dbraw/zinc/78/76/01/777787601.db2.gz LPMDKYBBIALEHA-SECBINFHSA-N -1 0 281.224 2.850 20 10 CFCDRM COc1ccc(CN2C[C@@H](F)C[C@H]2CF)c([O-])c1Cl ZINC001236801489 778944728 /nfs/dbraw/zinc/94/47/28/778944728.db2.gz KAXONDVOZVOWOJ-UWVGGRQHSA-N -1 0 291.725 2.936 20 10 CFCDRM CC[C@H]1COCCN1Cc1ccc(OC)c(Cl)c1[O-] ZINC001236805512 778946560 /nfs/dbraw/zinc/94/65/60/778946560.db2.gz ATFZDESBSIDJBU-NSHDSACASA-N -1 0 285.771 2.665 20 10 CFCDRM COc1ccc(CN2CCC[C@H](F)C2)c([O-])c1Cl ZINC001236811054 778948666 /nfs/dbraw/zinc/94/86/66/778948666.db2.gz FORUNWCAQLZCGC-JTQLQIEISA-N -1 0 273.735 2.988 20 10 CFCDRM C[C@H]1CC(=O)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC001237617251 779144346 /nfs/dbraw/zinc/14/43/46/779144346.db2.gz OLRPURQIPFGLDN-QMMMGPOBSA-N -1 0 271.719 2.738 20 10 CFCDRM C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCCC1=O ZINC001237616481 779144725 /nfs/dbraw/zinc/14/47/25/779144725.db2.gz DYZGJDYQRWJKFY-VIFPVBQESA-N -1 0 285.746 2.986 20 10 CFCDRM C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCC1=O ZINC001237618354 779146028 /nfs/dbraw/zinc/14/60/28/779146028.db2.gz YYUQFTFANMYLEJ-QMMMGPOBSA-N -1 0 271.719 2.596 20 10 CFCDRM [O-]c1c(Cl)cc(F)cc1C[N@H+]1CCCC[C@@H](O)C1 ZINC001237807455 779184452 /nfs/dbraw/zinc/18/44/52/779184452.db2.gz JDMPZZKYRVJISZ-LLVKDONJSA-N -1 0 273.735 2.532 20 10 CFCDRM [O-]c1c(Cl)cc(F)cc1CN1C[C@@H](F)[C@@H](F)C1 ZINC001237808066 779184647 /nfs/dbraw/zinc/18/46/47/779184647.db2.gz QAZWIKSXNDYSMY-AOOOYVTPSA-N -1 0 265.662 2.677 20 10 CFCDRM [O-]c1c(Br)cc(F)cc1CN1CCCCO1 ZINC001235296206 779339930 /nfs/dbraw/zinc/33/99/30/779339930.db2.gz HNUYADAOBQWOJQ-UHFFFAOYSA-N -1 0 290.132 2.821 20 10 CFCDRM [O-]c1c(CNc2ccccc2CO)ccc(F)c1F ZINC000703363962 781010740 /nfs/dbraw/zinc/01/07/40/781010740.db2.gz IYQNVPDFZNBPFG-UHFFFAOYSA-N -1 0 265.259 2.775 20 10 CFCDRM CC[C@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@@H](C)O1 ZINC000703531935 781026176 /nfs/dbraw/zinc/02/61/76/781026176.db2.gz RQUQSNUOQRZSAK-KOLCDFICSA-N -1 0 271.307 2.670 20 10 CFCDRM O=C(c1cccc(O)c1O)N1CC[C@@H](C2CCCC2)C1 ZINC000708850411 781283310 /nfs/dbraw/zinc/28/33/10/781283310.db2.gz OUXYSYGVHWWVIT-GFCCVEGCSA-N -1 0 275.348 2.750 20 10 CFCDRM C[C@H]1OCCN(Cc2cc(Cl)c(F)cc2[O-])[C@@H]1C ZINC000295370597 380815014 /nfs/dbraw/zinc/81/50/14/380815014.db2.gz OJRRBMTXKSZBBC-RKDXNWHRSA-N -1 0 273.735 2.794 20 10 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ZINC001139689243 776631305 /nfs/dbraw/zinc/63/13/05/776631305.db2.gz GSLBMEGUBWDUED-ZDUSSCGKSA-N -1 0 291.301 2.798 20 10 CFCDRM O=C1CCN(Cc2cccc(Cl)c2[O-])CC[C@@H]1F ZINC001231910732 777363086 /nfs/dbraw/zinc/36/30/86/777363086.db2.gz RPBJNUGLKZNVDB-NSHDSACASA-N -1 0 271.719 2.549 20 10 CFCDRM [O-]c1c(Cl)cccc1CN1Cc2cccnc2C1 ZINC001231909273 777377867 /nfs/dbraw/zinc/37/78/67/777377867.db2.gz GBJUMHLTPLYILI-UHFFFAOYSA-N -1 0 260.724 2.956 20 10 CFCDRM [O-]c1c(Cl)cccc1CN1CC(F)(F)CC[C@H]1CO ZINC001231909245 777378007 /nfs/dbraw/zinc/37/80/07/777378007.db2.gz DEMWXXADAFXOSM-JTQLQIEISA-N -1 0 291.725 2.638 20 10 CFCDRM C[C@H]1CCN1Cc1c([O-])cc(Br)cc1F ZINC001233027809 777769537 /nfs/dbraw/zinc/76/95/37/777769537.db2.gz DAJHDRUWXMZEQT-ZETCQYMHSA-N -1 0 274.133 2.888 20 10 CFCDRM CC[C@@H]1COCCN1Cc1cc(F)cc(Cl)c1[O-] ZINC001237799573 779181589 /nfs/dbraw/zinc/18/15/89/779181589.db2.gz RXCPHWCZEPDZNX-LLVKDONJSA-N -1 0 273.735 2.796 20 10 CFCDRM [O-]c1c(Cl)cc(F)cc1CN1CC2(C1)CCCCO2 ZINC001237800978 779181794 /nfs/dbraw/zinc/18/17/94/779181794.db2.gz POOXPTYKXZTZOV-UHFFFAOYSA-N -1 0 285.746 2.940 20 10 CFCDRM O=C1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1(F)F ZINC001237799276 779182412 /nfs/dbraw/zinc/18/24/12/779182412.db2.gz QQBDZGLLEIXGNX-UHFFFAOYSA-N -1 0 293.672 2.595 20 10 CFCDRM Cc1ccc(-c2noc(-c3cc([O-])[nH]c(=O)c3)n2)c(F)c1 ZINC001212565399 781067605 /nfs/dbraw/zinc/06/76/05/781067605.db2.gz NSQQMZSYENDWCG-UHFFFAOYSA-N -1 0 287.250 2.657 20 10 CFCDRM C[C@H]1N(Cc2cc(F)cc(F)c2[O-])CCOC1(C)C ZINC000708382166 781272168 /nfs/dbraw/zinc/27/21/68/781272168.db2.gz FZMMPYNYCXNXDV-SECBINFHSA-N -1 0 271.307 2.670 20 10 CFCDRM [O-]c1c(F)cc(F)cc1CNCC(F)(F)C(F)F ZINC000708466180 781276525 /nfs/dbraw/zinc/27/65/25/781276525.db2.gz OVKOTVHDWZXRBF-UHFFFAOYSA-N -1 0 273.176 2.660 20 10 CFCDRM Cn1ccc2c1cccc2-c1ccc(C(=O)[O-])nc1 ZINC001242336447 781407662 /nfs/dbraw/zinc/40/76/62/781407662.db2.gz PNOXBPOXTRDMMG-UHFFFAOYSA-N -1 0 252.273 2.939 20 10 CFCDRM C[C@H]1OCCN(Cc2cccc(Cl)c2[O-])[C@H]1C ZINC000180257481 380640508 /nfs/dbraw/zinc/64/05/08/380640508.db2.gz FCGKNKLAHATLMR-VHSXEESVSA-N -1 0 255.745 2.655 20 10 CFCDRM CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000189400312 382603754 /nfs/dbraw/zinc/60/37/54/382603754.db2.gz MWUDXASPOUOTTF-UWVGGRQHSA-N -1 0 284.787 2.563 20 10 CFCDRM C[C@H](N[C@@H](C)c1cc(Cl)ccc1O)c1nncn1C ZINC000273606782 385690740 /nfs/dbraw/zinc/69/07/40/385690740.db2.gz UJWYQKDAAULBEA-IUCAKERBSA-N -1 0 280.759 2.586 20 10 CFCDRM C[C@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(F)cc1[O-] ZINC000367436463 262014439 /nfs/dbraw/zinc/01/44/39/262014439.db2.gz FZSCQBLQLQTAQX-NSHDSACASA-N -1 0 289.354 2.915 20 10 CFCDRM