smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C[N@H+](CC)Cc1cc(Cl)c(C)cc1O ZINC000824606227 623531011 /nfs/dbraw/zinc/53/10/11/623531011.db2.gz PTADTHLWNMSRFA-UHFFFAOYSA-N -1 2 285.771 2.739 20 10 CFCDLM Cc1cc(O)c(C[N@@H+]2CCO[C@@H](CF)C2)cc1Cl ZINC000826121707 623795807 /nfs/dbraw/zinc/79/58/07/623795807.db2.gz SVYPRAJUKCWXSF-NSHDSACASA-N -1 2 273.735 2.524 20 10 CFCDLM Oc1c(F)cc(F)cc1C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000922578080 626314832 /nfs/dbraw/zinc/31/48/32/626314832.db2.gz YGHBFCHAYDNRLF-CYBMUJFWSA-N -1 2 291.301 2.701 20 10 CFCDLM C[N@@H+](Cc1cnccn1)Cc1cc(Cl)c(F)cc1O ZINC000816498201 632471396 /nfs/dbraw/zinc/47/13/96/632471396.db2.gz KXOJONVTKBYLNP-UHFFFAOYSA-N -1 2 281.718 2.607 20 10 CFCDLM COc1cccnc1C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886621781 647072692 /nfs/dbraw/zinc/07/26/92/647072692.db2.gz AXWRACYKVQSLAL-JTQLQIEISA-N -1 2 276.311 2.786 20 10 CFCDLM CC[C@@H]1COCC[N@@H+]1Cc1cc(Cl)c(OC)cc1O ZINC001232269097 777501586 /nfs/dbraw/zinc/50/15/86/777501586.db2.gz AGQHLZYBBJIMSM-LLVKDONJSA-N -1 2 285.771 2.665 20 10 CFCDLM COCC[N@H+](CCF)Cc1cc(Cl)c(F)cc1O ZINC000827049018 623930394 /nfs/dbraw/zinc/93/03/94/623930394.db2.gz ULJISCNCNMEUMU-UHFFFAOYSA-N -1 2 279.714 2.603 20 10 CFCDLM C[C@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)CCC1=O ZINC001232259404 777496782 /nfs/dbraw/zinc/49/67/82/777496782.db2.gz JCDWHOSWJOUXLG-VIFPVBQESA-N -1 2 283.755 2.552 20 10 CFCDLM COc1cc(O)c(C[N@@H+]2CCOC[C@@H]2C2CC2)c(Cl)c1 ZINC001236808313 778948191 /nfs/dbraw/zinc/94/81/91/778948191.db2.gz NFZFSMJAIIEMHA-CQSZACIVSA-N -1 2 297.782 2.665 20 10 CFCDLM Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001237123605 779020128 /nfs/dbraw/zinc/02/01/28/779020128.db2.gz JRGNHMRLNJCYEL-ZYHUDNBSSA-N -1 2 271.719 2.548 20 10 CFCDLM CCCOc1ccc(C[N@@H+](C)Cc2nccn2C)c(O)c1 ZINC000134114100 377983370 /nfs/dbraw/zinc/98/33/70/377983370.db2.gz DXGCUOXJBUZZHW-UHFFFAOYSA-N -1 2 289.379 2.547 20 10 CFCDLM CCc1nnc([C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)[nH]1 ZINC000293729786 382253991 /nfs/dbraw/zinc/25/39/91/382253991.db2.gz WGSLLTOREOLMEV-SSDOTTSWSA-N -1 2 298.749 2.716 20 10 CFCDLM CC(C)c1nnc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])[nH]1 ZINC000824602765 623531646 /nfs/dbraw/zinc/53/16/46/623531646.db2.gz FHIDBCJEJZHFIX-UHFFFAOYSA-N -1 2 298.749 2.716 20 10 CFCDLM Cc1cc(O)c(C[N@@H+](C)CC(=O)NC(C)(C)C)c(Cl)c1 ZINC000840910016 631260317 /nfs/dbraw/zinc/26/03/17/631260317.db2.gz OJYMRUOQRLTNLM-UHFFFAOYSA-N -1 2 298.814 2.701 20 10 CFCDLM COc1cc(O)c(C[N@@H+]2CCO[C@H](C(C)C)C2)c(Cl)c1 ZINC001236808601 778949541 /nfs/dbraw/zinc/94/95/41/778949541.db2.gz PDEUWAPDHPHDND-HNNXBMFYSA-N -1 2 299.798 2.911 20 10 CFCDLM C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CC[C@@]1(C)O ZINC001237617652 779144364 /nfs/dbraw/zinc/14/43/64/779144364.db2.gz UDUYFNFCMJPVQD-LKFCYVNXSA-N -1 2 287.762 2.778 20 10 CFCDLM Oc1c(Cl)cc(F)cc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001237805996 779182704 /nfs/dbraw/zinc/18/27/04/779182704.db2.gz QDNORORLHQTNBU-AWEZNQCLSA-N -1 2 285.746 2.940 20 10 CFCDLM CCO[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000701709052 780824748 /nfs/dbraw/zinc/82/47/48/780824748.db2.gz OCUCJAWBFVSMRM-ZDUSSCGKSA-N -1 2 297.782 2.859 20 10 CFCDLM COc1cccnc1C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886621782 647072503 /nfs/dbraw/zinc/07/25/03/647072503.db2.gz AXWRACYKVQSLAL-SNVBAGLBSA-N -1 2 276.311 2.786 20 10 CFCDLM Oc1cccc2c1C[N@@H+](Cc1c(O)cc(F)cc1F)CC2 ZINC001140584595 770970599 /nfs/dbraw/zinc/97/05/99/770970599.db2.gz YBVTXQKHBTUCGX-UHFFFAOYSA-N -1 2 291.297 2.934 20 10 CFCDLM Oc1c(Cl)cc(F)cc1C[N@@H+]1CCC[C@]12CCOC2 ZINC001237806001 779183074 /nfs/dbraw/zinc/18/30/74/779183074.db2.gz QDNORORLHQTNBU-CQSZACIVSA-N -1 2 285.746 2.940 20 10 CFCDLM Oc1c(Cl)cccc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000180683885 380690352 /nfs/dbraw/zinc/69/03/52/380690352.db2.gz DXKBGRQLWXVTTA-QWHCGFSZSA-N -1 2 299.823 2.752 20 10 CFCDLM Cc1nnc([C@@H](C)[N@H+](C)Cc2ccccc2O)s1 ZINC000274547255 385821186 /nfs/dbraw/zinc/82/11/86/385821186.db2.gz WDTCZGKLOWRNSU-SECBINFHSA-N -1 2 263.366 2.745 20 10 CFCDLM Oc1c(Cl)cccc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000368487892 267177894 /nfs/dbraw/zinc/17/78/94/267177894.db2.gz MBADGLZGEZPIMU-UHFFFAOYSA-N -1 2 291.782 2.868 20 10 CFCDLM CC(C)c1nnc(C[NH2+]Cc2c(O)cccc2Cl)[nH]1 ZINC000824603360 623531386 /nfs/dbraw/zinc/53/13/86/623531386.db2.gz QGJTYFRZVYTRJM-UHFFFAOYSA-N -1 2 280.759 2.577 20 10 CFCDLM Oc1ccc(F)cc1C[NH2+]Cc1nccc(C(F)F)n1 ZINC000809783296 631288841 /nfs/dbraw/zinc/28/88/41/631288841.db2.gz XRPQSVFLXDWEBM-UHFFFAOYSA-N -1 2 283.253 2.549 20 10 CFCDLM C[C@H]1C[N@H+](Cc2c(O)ccc(F)c2Cl)CCCO1 ZINC001237122498 779019155 /nfs/dbraw/zinc/01/91/55/779019155.db2.gz VECMJKAQVZCDII-VIFPVBQESA-N -1 2 273.735 2.796 20 10 CFCDLM C[C@@H]1CN(Cc2cccc(Cl)c2O)C[C@H](C)[N@H+]1C ZINC000141904012 378243287 /nfs/dbraw/zinc/24/32/87/378243287.db2.gz ZZVVDJFXPMMALH-PHIMTYICSA-N -1 2 268.788 2.570 20 10 CFCDLM O=C(Nc1cccc(Cl)c1[O-])c1c(F)ccc(O)c1O ZINC000789994361 629202681 /nfs/dbraw/zinc/20/26/81/629202681.db2.gz FEBGKTZYIGQEHA-UHFFFAOYSA-N -1 2 297.669 2.848 20 10 CFCDLM C[C@@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C[C@H]1F ZINC001232261203 777496739 /nfs/dbraw/zinc/49/67/39/777496739.db2.gz WSTXULGHUPAANA-LDYMZIIASA-N -1 2 273.735 2.931 20 10 CFCDLM C[C@H]1C[C@@H](CF)[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233332607 777888343 /nfs/dbraw/zinc/88/83/43/777888343.db2.gz QUEACBTZUXVZIE-IUCAKERBSA-N -1 2 259.271 2.850 20 10 CFCDLM COc1cc(O)c(C[N@@H+]2CCO[C@@H](C(C)C)C2)c(Cl)c1 ZINC001236808602 778949035 /nfs/dbraw/zinc/94/90/35/778949035.db2.gz PDEUWAPDHPHDND-OAHLLOKOSA-N -1 2 299.798 2.911 20 10 CFCDLM O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)ccc(F)c1Cl ZINC001237122967 779019394 /nfs/dbraw/zinc/01/93/94/779019394.db2.gz FZJGQDGDGJLKSK-DTORHVGOSA-N -1 2 283.730 2.881 20 10 CFCDLM Oc1ccc(F)c(Cl)c1C[NH+]1CC2(C1)CCCOC2 ZINC001237123119 779019527 /nfs/dbraw/zinc/01/95/27/779019527.db2.gz HLSOJBPFGJWENV-UHFFFAOYSA-N -1 2 285.746 2.797 20 10 CFCDLM CC(C)c1nnc(C[NH2+]Cc2cc(Cl)c(F)cc2O)[nH]1 ZINC000294891451 382541140 /nfs/dbraw/zinc/54/11/40/382541140.db2.gz WLRJVUSHYHRHFD-UHFFFAOYSA-N -1 2 298.749 2.716 20 10 CFCDLM C[N@@H+](Cc1cn(-c2ccccc2)nn1)Cc1ccccc1O ZINC000731843558 574130202 /nfs/dbraw/zinc/13/02/02/574130202.db2.gz QREJGDUOSUOUEM-UHFFFAOYSA-N -1 2 294.358 2.605 20 10 CFCDLM CCc1nnc([C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2O)[nH]1 ZINC000756780217 574262160 /nfs/dbraw/zinc/26/21/60/574262160.db2.gz XIAAHXXXGRLAGZ-SFYZADRCSA-N -1 2 296.321 2.763 20 10 CFCDLM COc1cc(O)c(C[N@@H+]2CCO[C@@H](C(C)C)C2)cc1Cl ZINC001232268658 777500792 /nfs/dbraw/zinc/50/07/92/777500792.db2.gz PYVQYRGYRTVUSZ-OAHLLOKOSA-N -1 2 299.798 2.911 20 10 CFCDLM C[C@@H]1C[N@H+](Cc2c(O)ccc(F)c2Cl)CCCO1 ZINC001237122495 779020360 /nfs/dbraw/zinc/02/03/60/779020360.db2.gz VECMJKAQVZCDII-SECBINFHSA-N -1 2 273.735 2.796 20 10 CFCDLM CN1CC[N@H+](Cc2cccc(Cl)c2O)C(C)(C)C1 ZINC000271839915 385393578 /nfs/dbraw/zinc/39/35/78/385393578.db2.gz QBNKAXOECIXKKW-UHFFFAOYSA-N -1 2 268.788 2.572 20 10 CFCDLM Cc1cc(O)c(C[N@H+]2CCO[C@H](C)C2)c(Cl)c1 ZINC000840910892 631260339 /nfs/dbraw/zinc/26/03/39/631260339.db2.gz WWYWUXOKHWNONN-SNVBAGLBSA-N -1 2 255.745 2.575 20 10 CFCDLM Cn1ncc2c1CCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC000840954762 631280207 /nfs/dbraw/zinc/28/02/07/631280207.db2.gz NIGORGLBBQJURI-UHFFFAOYSA-N -1 2 291.782 2.728 20 10 CFCDLM COc1ccnc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1F ZINC000850536062 634041306 /nfs/dbraw/zinc/04/13/06/634041306.db2.gz BDEGZFKCAMVBQK-SECBINFHSA-N -1 2 294.301 2.925 20 10 CFCDLM Oc1cc(O)c(C[N@@H+]2CCC[C@H](F)C2)cc1Cl ZINC001232261381 777496688 /nfs/dbraw/zinc/49/66/88/777496688.db2.gz FTJICKMTHREABQ-VIFPVBQESA-N -1 2 259.708 2.685 20 10 CFCDLM CC[C@@]12C[C@@H](CO1)[N@H+](Cc1c(O)cc(OC)cc1Cl)C2 ZINC001236808339 778948329 /nfs/dbraw/zinc/94/83/29/778948329.db2.gz NUILYGDBCSOWAL-BONVTDFDSA-N -1 2 297.782 2.808 20 10 CFCDLM C[N@@H+](Cc1ccncn1)Cc1cc(F)c(Cl)cc1O ZINC001237943609 779213524 /nfs/dbraw/zinc/21/35/24/779213524.db2.gz NSOWZSHBXQARSS-UHFFFAOYSA-N -1 2 281.718 2.607 20 10 CFCDLM Cc1cc(O)c(C[N@H+]2CCO[C@@H](C)C2)c(Cl)c1 ZINC000840910891 631260817 /nfs/dbraw/zinc/26/08/17/631260817.db2.gz WWYWUXOKHWNONN-JTQLQIEISA-N -1 2 255.745 2.575 20 10 CFCDLM C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232258627 777496875 /nfs/dbraw/zinc/49/68/75/777496875.db2.gz BGCBSDITRMUXRP-VXNVDRBHSA-N -1 2 259.708 2.684 20 10 CFCDLM Cc1cc(C[NH2+]Cc2c(O)cccc2Br)no1 ZINC000706829873 781204814 /nfs/dbraw/zinc/20/48/14/781204814.db2.gz DNQVIRDKORVCOB-UHFFFAOYSA-N -1 2 297.152 2.741 20 10 CFCDLM CCOC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C(C)C ZINC000179424689 618275437 /nfs/dbraw/zinc/27/54/37/618275437.db2.gz MBVZPQAVBUXOQG-UHFFFAOYSA-N -1 2 285.771 2.819 20 10 CFCDLM Oc1cccc(F)c1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000896638798 619781139 /nfs/dbraw/zinc/78/11/39/619781139.db2.gz XFVCLJZIOMCPJG-UHFFFAOYSA-N -1 2 278.352 2.766 20 10 CFCDLM C[C@@H]1COCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775705762 628056546 /nfs/dbraw/zinc/05/65/46/628056546.db2.gz LBWLEUOWGVVTCR-VIFPVBQESA-N -1 2 273.735 2.653 20 10 CFCDLM COc1cc(O)c(C[N@@H+]2C[C@@H](C)OC[C@H]2C)c(Cl)c1 ZINC001236808951 778948577 /nfs/dbraw/zinc/94/85/77/778948577.db2.gz SDKLMLADYYYYOG-NXEZZACHSA-N -1 2 285.771 2.663 20 10 CFCDLM Oc1cccc(Cl)c1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000700591444 780702442 /nfs/dbraw/zinc/70/24/42/780702442.db2.gz NFLIQWGERODWKH-JTQLQIEISA-N -1 2 273.735 2.606 20 10 CFCDLM CCO[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703541168 781027824 /nfs/dbraw/zinc/02/78/24/781027824.db2.gz LJLCMOKBJMKRBP-LLVKDONJSA-N -1 2 271.307 2.671 20 10 CFCDLM Cc1cc(C[NH2+]Cc2cccc(Br)c2O)no1 ZINC000044693382 622940281 /nfs/dbraw/zinc/94/02/81/622940281.db2.gz NXNOFZSPLLEDCN-UHFFFAOYSA-N -1 2 297.152 2.741 20 10 CFCDLM COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2C(C)=O)cc1Cl ZINC001232269372 777500876 /nfs/dbraw/zinc/50/08/76/777500876.db2.gz XQQGRPXWLIHIKD-CYBMUJFWSA-N -1 2 297.782 2.998 20 10 CFCDLM COc1ccc(C[N@@H+]2CCC[C@@H](C(C)=O)C2)c(O)c1Cl ZINC001236807567 778946115 /nfs/dbraw/zinc/94/61/15/778946115.db2.gz QLPUKMNMMJGNPV-LLVKDONJSA-N -1 2 297.782 2.855 20 10 CFCDLM C[C@]1(O)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000180192196 380630327 /nfs/dbraw/zinc/63/03/27/380630327.db2.gz RNMSRQANMIGNFX-LBPRGKRZSA-N -1 2 276.163 2.656 20 10 CFCDLM COc1ccnc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1F ZINC000850536063 634041072 /nfs/dbraw/zinc/04/10/72/634041072.db2.gz BDEGZFKCAMVBQK-VIFPVBQESA-N -1 2 294.301 2.925 20 10 CFCDLM CCO[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703541169 781027088 /nfs/dbraw/zinc/02/70/88/781027088.db2.gz LJLCMOKBJMKRBP-NSHDSACASA-N -1 2 271.307 2.671 20 10 CFCDLM COCC[N@@H+](Cc1ccco1)Cc1cc(F)cc(F)c1O ZINC000893953521 618251531 /nfs/dbraw/zinc/25/15/31/618251531.db2.gz HQPHZUGXRALNTG-UHFFFAOYSA-N -1 2 297.301 2.912 20 10 CFCDLM C[C@H]1COCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775705761 628056686 /nfs/dbraw/zinc/05/66/86/628056686.db2.gz LBWLEUOWGVVTCR-SECBINFHSA-N -1 2 273.735 2.653 20 10 CFCDLM C[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CCCO1 ZINC000816502962 632472394 /nfs/dbraw/zinc/47/23/94/632472394.db2.gz XGRWBLKWAFJSJX-SECBINFHSA-N -1 2 273.735 2.796 20 10 CFCDLM COc1cc(O)c(C[N@@H+]2CCCCC23COC3)cc1Cl ZINC001232269757 777500972 /nfs/dbraw/zinc/50/09/72/777500972.db2.gz JVBJFEHWDIOENN-UHFFFAOYSA-N -1 2 297.782 2.809 20 10 CFCDLM Cc1ccc(C[NH2+]Cc2ccc(F)c(F)c2O)nc1C ZINC000703382590 781013093 /nfs/dbraw/zinc/01/30/93/781013093.db2.gz OBWVGLLHTWGXNS-UHFFFAOYSA-N -1 2 278.302 2.972 20 10 CFCDLM Oc1c(F)cc(F)cc1CNCc1noc2c1CCCC2 ZINC000883120793 645612353 /nfs/dbraw/zinc/61/23/53/645612353.db2.gz NLUSXYBVYFVXKI-UHFFFAOYSA-N -1 2 294.301 2.827 20 10 CFCDLM C[C@@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)C[C@@H]1F ZINC001232261032 777496443 /nfs/dbraw/zinc/49/64/43/777496443.db2.gz VOFAOYXRZPIHPJ-XCBNKYQSSA-N -1 2 259.708 2.541 20 10 CFCDLM COc1cc(O)c(C[N@@H+]2CCC(=O)C(C)(C)C2)cc1Cl ZINC001232269748 777501391 /nfs/dbraw/zinc/50/13/91/777501391.db2.gz JODTZIXBNPAAQJ-UHFFFAOYSA-N -1 2 297.782 2.855 20 10 CFCDLM Cc1[nH+]cc2n1CCN(Cc1c(O)ccc(F)c1Cl)C2 ZINC001237123160 779018511 /nfs/dbraw/zinc/01/85/11/779018511.db2.gz HYKAWHDCIDDLIW-UHFFFAOYSA-N -1 2 295.745 2.705 20 10 CFCDLM COc1ncccc1C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000191198749 382695326 /nfs/dbraw/zinc/69/53/26/382695326.db2.gz VQXPDYRTTJXCNC-VIFPVBQESA-N -1 2 294.301 2.925 20 10 CFCDLM Cc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)cn1 ZINC000273420127 385683021 /nfs/dbraw/zinc/68/30/21/385683021.db2.gz RXRSYXDBEQEOOS-NSHDSACASA-N -1 2 287.319 2.855 20 10 CFCDLM C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)CCS1 ZINC000894002851 618269782 /nfs/dbraw/zinc/26/97/82/618269782.db2.gz TULKWURPWPNYCB-MRVPVSSYSA-N -1 2 259.321 2.608 20 10 CFCDLM CC[C@H]([NH2+]Cc1nnc(C)s1)c1ccc(F)cc1O ZINC000796930208 629990369 /nfs/dbraw/zinc/99/03/69/629990369.db2.gz CZQMMGSJHSZGPP-NSHDSACASA-N -1 2 281.356 2.932 20 10 CFCDLM CCc1ncc(C[NH2+][C@@H](C)c2c(O)cccc2F)o1 ZINC000886620385 647071798 /nfs/dbraw/zinc/07/17/98/647071798.db2.gz IRWIPDQMRFHDNP-VIFPVBQESA-N -1 2 264.300 2.933 20 10 CFCDLM O=S(=O)([N-]c1ccsc1)c1cc(F)cc(F)c1O ZINC000753013852 574397604 /nfs/dbraw/zinc/39/76/04/574397604.db2.gz BDEBIDBNYKLNHK-UHFFFAOYSA-N -1 2 291.300 2.533 20 10 CFCDLM Oc1ccc(Cl)cc1C[NH2+]Cc1nc(C(F)F)no1 ZINC000895727409 619592454 /nfs/dbraw/zinc/59/24/54/619592454.db2.gz RFSPYGSMUBPWTH-UHFFFAOYSA-N -1 2 289.669 2.656 20 10 CFCDLM Oc1c(F)cc(F)cc1C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000922578081 626315219 /nfs/dbraw/zinc/31/52/19/626315219.db2.gz YGHBFCHAYDNRLF-ZDUSSCGKSA-N -1 2 291.301 2.701 20 10 CFCDLM Oc1cc(O)c(C[N@@H+]2CCc3cnccc3C2)cc1Cl ZINC001232261205 777496264 /nfs/dbraw/zinc/49/62/64/777496264.db2.gz WSZIVGNVRQVWPA-UHFFFAOYSA-N -1 2 290.750 2.705 20 10 CFCDLM C[N@@H+]1CCN(Cc2cc(F)cc(Cl)c2O)CC1(C)C ZINC001237805983 779182640 /nfs/dbraw/zinc/18/26/40/779182640.db2.gz QBLYGMHXWZMPHJ-UHFFFAOYSA-N -1 2 286.778 2.711 20 10 CFCDLM CCCCC[N@H+](CC(N)=O)Cc1cccc(Cl)c1O ZINC000180803783 380700997 /nfs/dbraw/zinc/70/09/97/380700997.db2.gz HHFKCWWCRCHEJT-UHFFFAOYSA-N -1 2 284.787 2.523 20 10 CFCDLM CCc1nnc([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)[nH]1 ZINC000293729788 382254132 /nfs/dbraw/zinc/25/41/32/382254132.db2.gz WGSLLTOREOLMEV-ZETCQYMHSA-N -1 2 298.749 2.716 20 10 CFCDLM CCc1nnc([C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2O)[nH]1 ZINC000756780215 574262393 /nfs/dbraw/zinc/26/23/93/574262393.db2.gz XIAAHXXXGRLAGZ-HTQZYQBOSA-N -1 2 296.321 2.763 20 10 CFCDLM Oc1c(Br)cccc1C[N@H+](C1CC1)C1COC1 ZINC000824471513 623510058 /nfs/dbraw/zinc/51/00/58/623510058.db2.gz DLMZKIZIKBPCNP-UHFFFAOYSA-N -1 2 298.180 2.518 20 10 CFCDLM C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CC[C@@]1(C)O ZINC001237617911 779144717 /nfs/dbraw/zinc/14/47/17/779144717.db2.gz UDUYFNFCMJPVQD-YMTOWFKASA-N -1 2 287.762 2.778 20 10 CFCDLM Oc1cccc(Cl)c1C[N@H+]1CCO[C@H](CCF)C1 ZINC000700591446 780702872 /nfs/dbraw/zinc/70/28/72/780702872.db2.gz NFLIQWGERODWKH-SNVBAGLBSA-N -1 2 273.735 2.606 20 10 CFCDLM Cc1cc(O)c(C[N@@H+]2CCO[C@H](CF)C2)cc1Cl ZINC000826121704 623795637 /nfs/dbraw/zinc/79/56/37/623795637.db2.gz SVYPRAJUKCWXSF-LLVKDONJSA-N -1 2 273.735 2.524 20 10 CFCDLM O=C([O-])c1cccc(NCc2cc([N+](=O)[O-])ccc2O)c1 ZINC000789898938 629195201 /nfs/dbraw/zinc/19/52/01/629195201.db2.gz PORXZTSRMBKIKB-UHFFFAOYSA-N -1 2 288.259 2.611 20 10 CFCDLM C[C@@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CCCC1=O ZINC001232260888 777496460 /nfs/dbraw/zinc/49/64/60/777496460.db2.gz SIDUBRLHMYSLQO-SECBINFHSA-N -1 2 283.755 2.552 20 10 CFCDLM Cc1cc(Cl)cc(C[N@H+](C)Cc2ccon2)c1O ZINC000271743014 385389916 /nfs/dbraw/zinc/38/99/16/385389916.db2.gz AGZPTXHXTSHZPQ-UHFFFAOYSA-N -1 2 266.728 2.974 20 10 CFCDLM Oc1c(C[NH+]2CC(CC3CC3)C2)ccc(F)c1F ZINC000877647322 643429742 /nfs/dbraw/zinc/42/97/42/643429742.db2.gz WZCUAHQKEPIWHI-UHFFFAOYSA-N -1 2 253.292 2.902 20 10 CFCDLM COc1cc(O)c(C[N@@H+]2CCOCC23CCC3)cc1Cl ZINC001232269749 777500806 /nfs/dbraw/zinc/50/08/06/777500806.db2.gz JPIGATKJZBRBLQ-UHFFFAOYSA-N -1 2 297.782 2.809 20 10 CFCDLM COc1cc(O)c(C[N@@H+]2CCO[C@H](C(C)C)C2)cc1Cl ZINC001232268573 777500862 /nfs/dbraw/zinc/50/08/62/777500862.db2.gz PYVQYRGYRTVUSZ-HNNXBMFYSA-N -1 2 299.798 2.911 20 10 CFCDLM Oc1c(Cl)cccc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000180683869 380689108 /nfs/dbraw/zinc/68/91/08/380689108.db2.gz DXKBGRQLWXVTTA-STQMWFEESA-N -1 2 299.823 2.752 20 10 CFCDLM CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2O)[nH]1 ZINC000756780216 574262435 /nfs/dbraw/zinc/26/24/35/574262435.db2.gz XIAAHXXXGRLAGZ-JGVFFNPUSA-N -1 2 296.321 2.763 20 10 CFCDLM C[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CCCO1 ZINC000816502963 632472780 /nfs/dbraw/zinc/47/27/80/632472780.db2.gz XGRWBLKWAFJSJX-VIFPVBQESA-N -1 2 273.735 2.796 20 10 CFCDLM CC[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2O)CCS1 ZINC000876747393 642991953 /nfs/dbraw/zinc/99/19/53/642991953.db2.gz BYNZAGJWVVBCSY-JTQLQIEISA-N -1 2 273.348 2.998 20 10 CFCDLM CC(C)[N@H+](Cc1cc(Cl)c(F)cc1O)C1COC1 ZINC000824471444 623510351 /nfs/dbraw/zinc/51/03/51/623510351.db2.gz BTYZWSVBIHINNM-UHFFFAOYSA-N -1 2 273.735 2.794 20 10 CFCDLM COc1cc(O)c(C[N@@H+]2CCCC[C@H]2C(C)=O)cc1Cl ZINC001232269373 777501966 /nfs/dbraw/zinc/50/19/66/777501966.db2.gz XQQGRPXWLIHIKD-ZDUSSCGKSA-N -1 2 297.782 2.998 20 10 CFCDLM C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CC[C@]1(C)O ZINC001237617655 779144455 /nfs/dbraw/zinc/14/44/55/779144455.db2.gz UDUYFNFCMJPVQD-OTYXRUKQSA-N -1 2 287.762 2.778 20 10 CFCDLM CCOC1C[NH+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840953735 631281640 /nfs/dbraw/zinc/28/16/40/631281640.db2.gz XXCMNSAGSIZLGL-UHFFFAOYSA-N -1 2 255.745 2.575 20 10 CFCDLM CC[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2O)CCS1 ZINC000876747394 642991892 /nfs/dbraw/zinc/99/18/92/642991892.db2.gz BYNZAGJWVVBCSY-SNVBAGLBSA-N -1 2 273.348 2.998 20 10 CFCDLM C[C@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CCCC1=O ZINC001232260889 777496278 /nfs/dbraw/zinc/49/62/78/777496278.db2.gz SIDUBRLHMYSLQO-VIFPVBQESA-N -1 2 283.755 2.552 20 10 CFCDLM Oc1cc(O)c(C[N@@H+]2CCC[C@@H](F)C2)cc1Cl ZINC001232261380 777496430 /nfs/dbraw/zinc/49/64/30/777496430.db2.gz FTJICKMTHREABQ-SECBINFHSA-N -1 2 259.708 2.685 20 10 CFCDLM CC[N@@H+]1CCN(Cc2cc(F)cc(Cl)c2O)C[C@H]1C ZINC001237799462 779182430 /nfs/dbraw/zinc/18/24/30/779182430.db2.gz BNFHLLFNBTXJAM-SNVBAGLBSA-N -1 2 286.778 2.711 20 10 CFCDLM CCO[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237805803 779183641 /nfs/dbraw/zinc/18/36/41/779183641.db2.gz OIKWFIUECMRYSQ-LLVKDONJSA-N -1 2 273.735 2.796 20 10 CFCDLM CC(C)c1nnc(CNCc2c(O)ccc(Cl)c2F)[nH]1 ZINC000824602919 623531274 /nfs/dbraw/zinc/53/12/74/623531274.db2.gz HAUGZXGDYFDPMN-UHFFFAOYSA-N -1 2 298.749 2.716 20 10 CFCDLM Cc1cc(O)c(C[N@@H+](C)Cc2cnccn2)c(Cl)c1 ZINC000840912125 631261365 /nfs/dbraw/zinc/26/13/65/631261365.db2.gz HQSURAARMZQUSA-UHFFFAOYSA-N -1 2 277.755 2.776 20 10 CFCDLM CCOCCO[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000180769770 380697974 /nfs/dbraw/zinc/69/79/74/380697974.db2.gz KNHGWXHAMDPEAA-ZDUSSCGKSA-N -1 2 299.798 2.673 20 10 CFCDLM Cc1cc(O)c(C[N@@H+](C)Cc2nccn2C)cc1Cl ZINC000825450961 623696330 /nfs/dbraw/zinc/69/63/30/623696330.db2.gz OTDYYHQMKSGDCY-UHFFFAOYSA-N -1 2 279.771 2.720 20 10 CFCDLM CCOC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C1CCC1 ZINC000768530786 627351191 /nfs/dbraw/zinc/35/11/91/627351191.db2.gz NMUUCRIUBDXNSN-UHFFFAOYSA-N -1 2 297.782 2.963 20 10 CFCDLM CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2ccoc2)c1O ZINC000050151067 618079155 /nfs/dbraw/zinc/07/91/55/618079155.db2.gz IWMPXCRDDBOIPF-UHFFFAOYSA-N -1 2 277.295 2.959 20 10 CFCDLM Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839190732 626530534 /nfs/dbraw/zinc/53/05/34/626530534.db2.gz KCUWRAOLXZLEJL-RNCFNFMXSA-N -1 2 285.746 2.796 20 10 CFCDLM C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232258626 777496362 /nfs/dbraw/zinc/49/63/62/777496362.db2.gz BGCBSDITRMUXRP-APPZFPTMSA-N -1 2 259.708 2.684 20 10 CFCDLM COC(=O)C[N@@H+](C)Cc1cccc(-c2ccccc2)c1O ZINC001234999357 778348140 /nfs/dbraw/zinc/34/81/40/778348140.db2.gz TWFSSRGPQUKFKY-UHFFFAOYSA-N -1 2 285.343 2.664 20 10 CFCDLM C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CC[C@]1(C)O ZINC001237617656 779144072 /nfs/dbraw/zinc/14/40/72/779144072.db2.gz UDUYFNFCMJPVQD-XPTSAGLGSA-N -1 2 287.762 2.778 20 10 CFCDLM C[N@H+](Cc1ccccc1O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000731843443 574130376 /nfs/dbraw/zinc/13/03/76/574130376.db2.gz HQUJTOSOICCWLO-UHFFFAOYSA-N -1 2 295.342 2.673 20 10 CFCDLM CCc1nnc([C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2O)[nH]1 ZINC000756780218 574262244 /nfs/dbraw/zinc/26/22/44/574262244.db2.gz XIAAHXXXGRLAGZ-YUMQZZPRSA-N -1 2 296.321 2.763 20 10 CFCDLM CCc1ncc(C[NH2+][C@H](C)c2c(O)cccc2F)o1 ZINC000886620384 647071546 /nfs/dbraw/zinc/07/15/46/647071546.db2.gz IRWIPDQMRFHDNP-SECBINFHSA-N -1 2 264.300 2.933 20 10 CFCDLM CC[C@H]1COCC[N@@H+]1Cc1cc(Cl)c(OC)cc1O ZINC001232269100 777501599 /nfs/dbraw/zinc/50/15/99/777501599.db2.gz AGQHLZYBBJIMSM-NSHDSACASA-N -1 2 285.771 2.665 20 10 CFCDLM COC(=O)[C@@H]1CC[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234997724 778349432 /nfs/dbraw/zinc/34/94/32/778349432.db2.gz DRONRWMWMPEZTH-INIZCTEOSA-N -1 2 297.354 2.807 20 10 CFCDLM Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CCCOCC1 ZINC001236793658 778939225 /nfs/dbraw/zinc/93/92/25/778939225.db2.gz NBUFDUMOEPIAEB-UHFFFAOYSA-N -1 2 276.163 2.921 20 10 CFCDLM COc1cc(O)c(C[N@@H+]2CCOC[C@H]2C2CC2)c(Cl)c1 ZINC001236808311 778949431 /nfs/dbraw/zinc/94/94/31/778949431.db2.gz NFZFSMJAIIEMHA-AWEZNQCLSA-N -1 2 297.782 2.665 20 10 CFCDLM C[N@H+](Cc1cnccn1)Cc1cc(F)c(Cl)cc1O ZINC001237935572 779210961 /nfs/dbraw/zinc/21/09/61/779210961.db2.gz FDEYJEOFVWSIPW-UHFFFAOYSA-N -1 2 281.718 2.607 20 10 CFCDLM Cc1cn2c([nH+]1)CN(Cc1cc(Cl)ccc1O)CC2 ZINC000371675323 381674663 /nfs/dbraw/zinc/67/46/63/381674663.db2.gz KMSFZMUGWBKDGB-UHFFFAOYSA-N -1 2 277.755 2.566 20 10 CFCDLM Cc1nnc([C@H](C)[N@H+](C)Cc2ccccc2O)s1 ZINC000274547257 385821013 /nfs/dbraw/zinc/82/10/13/385821013.db2.gz WDTCZGKLOWRNSU-VIFPVBQESA-N -1 2 263.366 2.745 20 10 CFCDLM Oc1ccc(Cl)c(F)c1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846109482 618091722 /nfs/dbraw/zinc/09/17/22/618091722.db2.gz CXXJJIHQBJBKBF-OCAPTIKFSA-N -1 2 277.673 2.882 20 10 CFCDLM COc1ccc(C[N@@H+]2CCC[C@H](C(C)=O)C2)c(O)c1Cl ZINC001236807571 778946903 /nfs/dbraw/zinc/94/69/03/778946903.db2.gz QLPUKMNMMJGNPV-NSHDSACASA-N -1 2 297.782 2.855 20 10 CFCDLM C[C@@]1(O)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000180192214 380629889 /nfs/dbraw/zinc/62/98/89/380629889.db2.gz RNMSRQANMIGNFX-GFCCVEGCSA-N -1 2 276.163 2.656 20 10 CFCDLM Cc1cc(O)c(C[N@@H+]2CCOCC23CC3)cc1Cl ZINC000825804160 623755556 /nfs/dbraw/zinc/75/55/56/623755556.db2.gz VXOIFVYTXYQWSD-UHFFFAOYSA-N -1 2 267.756 2.719 20 10 CFCDLM CC[C@@H]([NH2+]Cc1nnc(C)s1)c1ccc(F)cc1O ZINC000796930207 629989882 /nfs/dbraw/zinc/98/98/82/629989882.db2.gz CZQMMGSJHSZGPP-LLVKDONJSA-N -1 2 281.356 2.932 20 10 CFCDLM C[C@@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)CCC1=O ZINC001232259403 777496230 /nfs/dbraw/zinc/49/62/30/777496230.db2.gz JCDWHOSWJOUXLG-SECBINFHSA-N -1 2 283.755 2.552 20 10 CFCDLM