smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+](C)[C@@H](C)C=C(c1cccs1)c1cccs1 ZINC000000000272 567816404 /nfs/dbraw/zinc/81/64/04/567816404.db2.gz MORSAEFGQPDBKM-LBPRGKRZSA-N 1 1 277.458 4.582 10 0 in-man CJAEMO CC(C)(C)Nc1c(-c2ccc(Cl)cc2)[nH+]c2ccccn21 ZINC000000320102 169608103 /nfs/dbraw/zinc/60/81/03/169608103.db2.gz TWNBHABRJGLRSK-UHFFFAOYSA-N 1 1 299.805 4.865 10 0 CJAEMO CC(C)CCn1c2ccccc2[nH+]c1Nc1ccccc1 ZINC000000513906 169659890 /nfs/dbraw/zinc/65/98/90/169659890.db2.gz YWIIMPNPLCGEDU-UHFFFAOYSA-N 1 1 279.387 4.826 10 0 CJAEMO CC[N@@H+](C)[C@H](C)C=C(c1cccs1)c1cccs1 ZINC000001850979 567843780 /nfs/dbraw/zinc/84/37/80/567843780.db2.gz MORSAEFGQPDBKM-GFCCVEGCSA-N 1 1 277.458 4.582 10 0 in-man CJAEMO C[N@H+]1CC[C@H](C[C@@H]2C[C@H](c3ccccc3)c3ccccc32)C1 ZINC000005599891 170118353 /nfs/dbraw/zinc/11/83/53/170118353.db2.gz AMYOGBYNKSSTIB-HGHGUNKESA-N 1 1 291.438 4.648 10 0 in-man CJAEMO C[N@H+]1CC[C@@H](C[C@@H]2C[C@H](c3ccccc3)c3ccccc32)C1 ZINC000005599900 170118300 /nfs/dbraw/zinc/11/83/00/170118300.db2.gz AMYOGBYNKSSTIB-YRISNDGFSA-N 1 1 291.438 4.648 10 0 in-man CJAEMO CCC[N@H+]1CCC[C@H]2[C@@H]1c1ccccc1[C@@H]2c1ccccc1 ZINC000005647745 170124027 /nfs/dbraw/zinc/12/40/27/170124027.db2.gz RMFDPFVJWNFOJK-HKBOAZHASA-N 1 1 291.438 4.995 10 0 CJAEMO CCCCN1C(C)=C(C)[N@H+](CCCC)P1OCC ZINC000005821241 170144102 /nfs/dbraw/zinc/14/41/02/170144102.db2.gz HDRGJOIDQKNWSQ-UHFFFAOYSA-N 1 1 272.373 4.719 10 0 CJAEMO Cc1[nH+]c(C(C)C)c(Cc2cc(Cl)cc(Cl)c2)n1C ZINC000005892990 170151124 /nfs/dbraw/zinc/15/11/24/170151124.db2.gz LQVGMGCAGDLNMR-UHFFFAOYSA-N 1 1 297.229 4.750 10 0 CJAEMO CC(C)=CC[N@@H+]1Cc2cc(Cl)ccc2NC[C@H]1C(C)C ZINC000005963202 170163755 /nfs/dbraw/zinc/16/37/55/170163755.db2.gz SCNPFWORCUBTDI-KRWDZBQOSA-N 1 1 292.854 4.558 10 0 CJAEMO CC(C)=CC[N@@H+]1Cc2cc(Cl)ccc2NC[C@@H]1C(C)C ZINC000005963279 170163275 /nfs/dbraw/zinc/16/32/75/170163275.db2.gz SCNPFWORCUBTDI-QGZVFWFLSA-N 1 1 292.854 4.558 10 0 CJAEMO CSc1ccc([C@@H]2C[N@H+]3CCC[C@@H]3c3ccccc32)cc1 ZINC000006019879 170169240 /nfs/dbraw/zinc/16/92/40/170169240.db2.gz YVKDUIAAPBKHMJ-RBUKOAKNSA-N 1 1 295.451 4.691 10 0 in-vitro CJAEMO C[C@@H]1CCC[N@H+](C2(c3ccccc3)CCCCC2)C1 ZINC000006030870 170169618 /nfs/dbraw/zinc/16/96/18/170169618.db2.gz IEOJHRAIYGJUBG-MRXNPFEDSA-N 1 1 257.421 4.578 10 0 CJAEMO C[C@H]1CCC[N@H+](C2(c3ccccc3)CCCCC2)C1 ZINC000006037539 170170111 /nfs/dbraw/zinc/17/01/11/170170111.db2.gz IEOJHRAIYGJUBG-INIZCTEOSA-N 1 1 257.421 4.578 10 0 CJAEMO Clc1ccc([C@H]2C[N@H+]3CCC[C@H]3c3ccccc32)cc1 ZINC000006117464 170177250 /nfs/dbraw/zinc/17/72/50/170177250.db2.gz NYIDPSGGLMYASF-MSOLQXFVSA-N 1 1 283.802 4.622 10 0 CJAEMO Clc1ccccc1[C@@H]1C[N@H+]2CCC[C@@H]2c2ccccc21 ZINC000006117518 170177323 /nfs/dbraw/zinc/17/73/23/170177323.db2.gz KWMNBUDYCCTHHL-SJLPKXTDSA-N 1 1 283.802 4.622 10 0 CJAEMO CCCCCn1c2ccccc2[nH+]c1Nc1ccccc1 ZINC000006856592 170249838 /nfs/dbraw/zinc/24/98/38/170249838.db2.gz AKNHCOTWSFTPJO-UHFFFAOYSA-N 1 1 279.387 4.970 10 0 CJAEMO CCCCn1c2ccccc2[nH+]c1Nc1ccc(C)cc1 ZINC000006856776 170250425 /nfs/dbraw/zinc/25/04/25/170250425.db2.gz LSPIJKAHHRHZIT-UHFFFAOYSA-N 1 1 279.387 4.888 10 0 CJAEMO CCCCn1c2ccccc2[nH+]c1Nc1cccc(C)c1 ZINC000006856785 170250272 /nfs/dbraw/zinc/25/02/72/170250272.db2.gz CGXQZENJQVFXJD-UHFFFAOYSA-N 1 1 279.387 4.888 10 0 CJAEMO CCCCn1c2ccccc2[nH+]c1Nc1cccc(OC)c1 ZINC000006856792 170250130 /nfs/dbraw/zinc/25/01/30/170250130.db2.gz ZSEACBNYVFQLDR-UHFFFAOYSA-N 1 1 295.386 4.589 10 0 CJAEMO CCCCn1c2ccccc2[nH+]c1Nc1ccccc1C ZINC000006856796 170250202 /nfs/dbraw/zinc/25/02/02/170250202.db2.gz NLVXZJIVMBZEOT-UHFFFAOYSA-N 1 1 279.387 4.888 10 0 CJAEMO c1csc([C@H]2CCC[N@@H+]2Cc2ccc3ccccc3n2)c1 ZINC000007216274 170272381 /nfs/dbraw/zinc/27/23/81/170272381.db2.gz SJSWRZINVLYOGM-QGZVFWFLSA-N 1 1 294.423 4.633 10 0 CJAEMO c1csc([C@@H]2CCC[N@@H+]2Cc2ccc3ccccc3n2)c1 ZINC000007216279 170272300 /nfs/dbraw/zinc/27/23/00/170272300.db2.gz SJSWRZINVLYOGM-KRWDZBQOSA-N 1 1 294.423 4.633 10 0 CJAEMO CSc1ccc([C@H]2C[N@H+]3CCC[C@@H]3c3ccccc32)cc1 ZINC000014953693 560227986 /nfs/dbraw/zinc/22/79/86/560227986.db2.gz YVKDUIAAPBKHMJ-RTBURBONSA-N 1 1 295.451 4.691 10 0 in-vitro CJAEMO Cc1nc([C@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)c(C)s1 ZINC000020124331 171006549 /nfs/dbraw/zinc/00/65/49/171006549.db2.gz RYYOPNMDLWYBHJ-UWVGGRQHSA-N 1 1 294.851 4.825 10 0 CJAEMO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)c(C)s1 ZINC000020124333 171006757 /nfs/dbraw/zinc/00/67/57/171006757.db2.gz RYYOPNMDLWYBHJ-VHSXEESVSA-N 1 1 294.851 4.825 10 0 CJAEMO [NH3+][C@H](c1cc2ccccc2o1)c1ccc(Cl)c(Cl)c1 ZINC000020369088 171166908 /nfs/dbraw/zinc/16/69/08/171166908.db2.gz QNPMSTIQRYSSMS-HNNXBMFYSA-N 1 1 292.165 4.788 10 0 CJAEMO [NH3+][C@@H](c1cc2ccccc2o1)c1ccc(Cl)c(Cl)c1 ZINC000020369091 171166869 /nfs/dbraw/zinc/16/68/69/171166869.db2.gz QNPMSTIQRYSSMS-OAHLLOKOSA-N 1 1 292.165 4.788 10 0 CJAEMO [NH3+][C@H](c1cc2ccccc2o1)c1ccc2ccccc2c1 ZINC000020369122 171167074 /nfs/dbraw/zinc/16/70/74/171167074.db2.gz JPKFUAWROXVBLI-IBGZPJMESA-N 1 1 273.335 4.634 10 0 CJAEMO [NH3+][C@@H](c1cc2ccccc2o1)c1ccc2ccccc2c1 ZINC000020369125 171167015 /nfs/dbraw/zinc/16/70/15/171167015.db2.gz JPKFUAWROXVBLI-LJQANCHMSA-N 1 1 273.335 4.634 10 0 CJAEMO [NH3+][C@@H](c1cc2ccccc2o1)c1ccc(Cl)cc1Cl ZINC000020369182 171167199 /nfs/dbraw/zinc/16/71/99/171167199.db2.gz YLFVGNJNZJMDNT-OAHLLOKOSA-N 1 1 292.165 4.788 10 0 CJAEMO [NH3+][C@H](c1cc2ccccc2o1)c1ccc(Cl)cc1Cl ZINC000020369184 171167104 /nfs/dbraw/zinc/16/71/04/171167104.db2.gz YLFVGNJNZJMDNT-HNNXBMFYSA-N 1 1 292.165 4.788 10 0 CJAEMO [NH3+][C@@H](c1cc2ccccc2o1)c1cc(Cl)ccc1Cl ZINC000020369327 171166728 /nfs/dbraw/zinc/16/67/28/171166728.db2.gz USDMERJIITVXCS-OAHLLOKOSA-N 1 1 292.165 4.788 10 0 CJAEMO [NH3+][C@H](c1cc2ccccc2o1)c1cc(Cl)ccc1Cl ZINC000020369330 171167022 /nfs/dbraw/zinc/16/70/22/171167022.db2.gz USDMERJIITVXCS-HNNXBMFYSA-N 1 1 292.165 4.788 10 0 CJAEMO CCc1ccc2oc([C@@H]([NH3+])c3ccc(Cl)cc3)cc2c1 ZINC000020389475 171177991 /nfs/dbraw/zinc/17/79/91/171177991.db2.gz WDWHOOIAMFEFFV-KRWDZBQOSA-N 1 1 285.774 4.697 10 0 CJAEMO CCc1ccc2oc([C@H]([NH3+])c3ccc(Cl)cc3)cc2c1 ZINC000020389483 171178499 /nfs/dbraw/zinc/17/84/99/171178499.db2.gz WDWHOOIAMFEFFV-QGZVFWFLSA-N 1 1 285.774 4.697 10 0 CJAEMO CC(C)c1ccc2oc([C@@H]([NH3+])c3ccc(F)cc3)cc2c1 ZINC000020389540 171178156 /nfs/dbraw/zinc/17/81/56/171178156.db2.gz KWRJEHSRTDZZSF-SFHVURJKSA-N 1 1 283.346 4.743 10 0 CJAEMO CC(C)c1ccc2oc([C@H]([NH3+])c3ccc(F)cc3)cc2c1 ZINC000020389544 171178008 /nfs/dbraw/zinc/17/80/08/171178008.db2.gz KWRJEHSRTDZZSF-GOSISDBHSA-N 1 1 283.346 4.743 10 0 CJAEMO [NH3+][C@H](c1cc2cc(Cl)ccc2o1)c1ccc(Cl)cc1 ZINC000020389699 171178699 /nfs/dbraw/zinc/17/86/99/171178699.db2.gz CJDDTMQQKNOPNK-HNNXBMFYSA-N 1 1 292.165 4.788 10 0 CJAEMO [NH3+][C@@H](c1cc2cc(Cl)ccc2o1)c1ccc(Cl)cc1 ZINC000020389706 171178951 /nfs/dbraw/zinc/17/89/51/171178951.db2.gz CJDDTMQQKNOPNK-OAHLLOKOSA-N 1 1 292.165 4.788 10 0 CJAEMO C[C@@H]([NH2+]Cc1c(Cl)cccc1Cl)c1cccc(F)c1 ZINC000020551826 171247337 /nfs/dbraw/zinc/24/73/37/171247337.db2.gz CICBUSACUMIUNR-SNVBAGLBSA-N 1 1 298.188 4.983 10 0 CJAEMO C[C@H]([NH2+]Cc1c(Cl)cccc1Cl)c1cccc(F)c1 ZINC000020551827 171247330 /nfs/dbraw/zinc/24/73/30/171247330.db2.gz CICBUSACUMIUNR-JTQLQIEISA-N 1 1 298.188 4.983 10 0 CJAEMO CCCC[N@@H+](CC)[C@@H]1CCCCCCCCCC[C@@H]1N ZINC000020554240 171249466 /nfs/dbraw/zinc/24/94/66/171249466.db2.gz HIWBKLDBHSUEPS-ZWKOTPCHSA-N 1 1 282.516 4.719 10 0 CJAEMO CCCC[N@@H+](CC)[C@H]1CCCCCCCCCC[C@@H]1N ZINC000020554242 171249181 /nfs/dbraw/zinc/24/91/81/171249181.db2.gz HIWBKLDBHSUEPS-ROUUACIJSA-N 1 1 282.516 4.719 10 0 CJAEMO Cc1ccc(CNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000020563211 171252669 /nfs/dbraw/zinc/25/26/69/171252669.db2.gz XFBBKHYRHKFJTK-UHFFFAOYSA-N 1 1 282.774 4.809 10 0 CJAEMO C[C@@H]([NH2+]Cc1ccccc1F)c1cc(Cl)ccc1Cl ZINC000020563445 262251094 /nfs/dbraw/zinc/25/10/94/262251094.db2.gz JABBOOZUPDECAV-SNVBAGLBSA-N 1 1 298.188 4.983 10 0 CJAEMO C[C@H]([NH2+]Cc1ccccc1F)c1cc(Cl)ccc1Cl ZINC000020563447 262251224 /nfs/dbraw/zinc/25/12/24/262251224.db2.gz JABBOOZUPDECAV-JTQLQIEISA-N 1 1 298.188 4.983 10 0 CJAEMO CC(C)(C)c1[nH]c2ccc(NCc3cccs3)cc2[nH+]1 ZINC000020567113 171255082 /nfs/dbraw/zinc/25/50/82/171255082.db2.gz JYDKGLOTAFUSDC-UHFFFAOYSA-N 1 1 285.416 4.534 10 0 CJAEMO [NH3+][C@H](c1cc2cc(Cl)ccc2o1)c1cccc(Cl)c1 ZINC000020592844 171262489 /nfs/dbraw/zinc/26/24/89/171262489.db2.gz OYELJEVTQPSDFP-HNNXBMFYSA-N 1 1 292.165 4.788 10 0 CJAEMO [NH3+][C@@H](c1cc2cc(Cl)ccc2o1)c1cccc(Cl)c1 ZINC000020592845 171262630 /nfs/dbraw/zinc/26/26/30/171262630.db2.gz OYELJEVTQPSDFP-OAHLLOKOSA-N 1 1 292.165 4.788 10 0 CJAEMO [NH3+][C@@H](c1cc2cc(Cl)cc(Cl)c2o1)c1cccs1 ZINC000020593086 171262427 /nfs/dbraw/zinc/26/24/27/171262427.db2.gz XWHXLWXNCUDOAJ-LBPRGKRZSA-N 1 1 298.194 4.849 10 0 CJAEMO [NH3+][C@H](c1cc2cc(Cl)cc(Cl)c2o1)c1cccs1 ZINC000020593087 171262776 /nfs/dbraw/zinc/26/27/76/171262776.db2.gz XWHXLWXNCUDOAJ-GFCCVEGCSA-N 1 1 298.194 4.849 10 0 CJAEMO C[C@@H]([NH2+]Cc1c(F)cccc1Cl)c1cccc(Cl)c1 ZINC000021018517 171290325 /nfs/dbraw/zinc/29/03/25/171290325.db2.gz MHLSLLKNFSJAFA-SNVBAGLBSA-N 1 1 298.188 4.983 10 0 CJAEMO C[C@H]([NH2+]Cc1c(F)cccc1Cl)c1cccc(Cl)c1 ZINC000021018520 171290222 /nfs/dbraw/zinc/29/02/22/171290222.db2.gz MHLSLLKNFSJAFA-JTQLQIEISA-N 1 1 298.188 4.983 10 0 CJAEMO CN(C)CC(C)(C)C[NH2+]C1CCCCCCCCCCC1 ZINC000021018936 171290304 /nfs/dbraw/zinc/29/03/04/171290304.db2.gz VIEAVUWTYRHLJY-UHFFFAOYSA-N 1 1 296.543 4.837 10 0 CJAEMO Clc1ccc2c(NCCc3ccccc3)cc[nH+]c2c1 ZINC000021019388 171290311 /nfs/dbraw/zinc/29/03/11/171290311.db2.gz GDWSQAQHYMOXML-UHFFFAOYSA-N 1 1 282.774 4.543 10 0 CJAEMO CCCC[N@@H+](C)C1(CN)CCCCCCCCCCC1 ZINC000021506345 171307997 /nfs/dbraw/zinc/30/79/97/171307997.db2.gz ASOJDDBGSOTLNT-UHFFFAOYSA-N 1 1 282.516 4.721 10 0 CJAEMO C[C@@H]1CCC[N@H+](C2(CN)CCCCCCCCCCC2)C1 ZINC000021506460 171308006 /nfs/dbraw/zinc/30/80/06/171308006.db2.gz WNPLKEAFOLZSSK-GOSISDBHSA-N 1 1 294.527 4.721 10 0 CJAEMO C[C@H]1CCC[N@H+](C2(CN)CCCCCCCCCCC2)C1 ZINC000021506462 171308042 /nfs/dbraw/zinc/30/80/42/171308042.db2.gz WNPLKEAFOLZSSK-SFHVURJKSA-N 1 1 294.527 4.721 10 0 CJAEMO CC(C)c1ccc([C@H](C)[NH2+]CCN(C(C)C)C(C)C)cc1 ZINC000021787455 171322773 /nfs/dbraw/zinc/32/27/73/171322773.db2.gz LTJXDRWNDPDYKV-KRWDZBQOSA-N 1 1 290.495 4.579 10 0 CJAEMO CC(C)c1ccc([C@@H](C)[NH2+]CCN(C(C)C)C(C)C)cc1 ZINC000021787458 171322935 /nfs/dbraw/zinc/32/29/35/171322935.db2.gz LTJXDRWNDPDYKV-QGZVFWFLSA-N 1 1 290.495 4.579 10 0 CJAEMO C[C@@H]([NH2+]Cc1ccccc1F)c1ccc(Cl)cc1Cl ZINC000021812901 171330022 /nfs/dbraw/zinc/33/00/22/171330022.db2.gz ZZKNWSASPGSMAZ-SNVBAGLBSA-N 1 1 298.188 4.983 10 0 CJAEMO C[C@H]([NH2+]Cc1ccccc1F)c1ccc(Cl)cc1Cl ZINC000021812902 171329928 /nfs/dbraw/zinc/32/99/28/171329928.db2.gz ZZKNWSASPGSMAZ-JTQLQIEISA-N 1 1 298.188 4.983 10 0 CJAEMO Cc1ccc(N[C@H](C)c2ccc(Cl)cc2Cl)[nH+]c1 ZINC000021814865 171331713 /nfs/dbraw/zinc/33/17/13/171331713.db2.gz DJNRGZUIQMMSKF-SNVBAGLBSA-N 1 1 281.186 4.870 10 0 CJAEMO Cc1ccc(N[C@@H](C)c2ccc(Cl)cc2Cl)[nH+]c1 ZINC000021814867 171331732 /nfs/dbraw/zinc/33/17/32/171331732.db2.gz DJNRGZUIQMMSKF-JTQLQIEISA-N 1 1 281.186 4.870 10 0 CJAEMO C[C@@H]1CCCC[N@H+]1C1(CN)CCCCCCCCCCC1 ZINC000021815792 171332005 /nfs/dbraw/zinc/33/20/05/171332005.db2.gz BKTCTJLBNRBMMP-GOSISDBHSA-N 1 1 294.527 4.863 10 0 CJAEMO C[C@H]1CCCC[N@H+]1C1(CN)CCCCCCCCCCC1 ZINC000021815794 171332076 /nfs/dbraw/zinc/33/20/76/171332076.db2.gz BKTCTJLBNRBMMP-SFHVURJKSA-N 1 1 294.527 4.863 10 0 CJAEMO Clc1cccc(Cl)c1C[NH2+][C@@H]1CCc2ccccc21 ZINC000021815880 171331992 /nfs/dbraw/zinc/33/19/92/171331992.db2.gz HBZXDAHMTGJJPO-MRXNPFEDSA-N 1 1 292.209 4.771 10 0 CJAEMO Clc1cccc(Cl)c1C[NH2+][C@H]1CCc2ccccc21 ZINC000021815882 171332175 /nfs/dbraw/zinc/33/21/75/171332175.db2.gz HBZXDAHMTGJJPO-INIZCTEOSA-N 1 1 292.209 4.771 10 0 CJAEMO C[N@@H+](C/C=C/c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000028247859 171553513 /nfs/dbraw/zinc/55/35/13/171553513.db2.gz WQYVGOMEZYNNSE-OJLWIZQOSA-N 1 1 277.411 4.709 10 0 CJAEMO Fc1ccccc1C[NH2+][C@@H](c1cccs1)c1ccccc1 ZINC000035012193 171929929 /nfs/dbraw/zinc/92/99/29/171929929.db2.gz TXMLLENCTWKVKQ-GOSISDBHSA-N 1 1 297.398 4.766 10 0 CJAEMO C[C@H](Nc1cc[nH+]c2cc(Cl)ccc12)c1ccco1 ZINC000035135101 172002143 /nfs/dbraw/zinc/00/21/43/172002143.db2.gz MMUZPSZGSKFOAO-JTQLQIEISA-N 1 1 272.735 4.654 10 0 CJAEMO C[C@@H](Nc1cc[nH+]c2cc(Cl)ccc12)c1ccco1 ZINC000035135102 172002451 /nfs/dbraw/zinc/00/24/51/172002451.db2.gz MMUZPSZGSKFOAO-SNVBAGLBSA-N 1 1 272.735 4.654 10 0 CJAEMO C[C@H]([NH2+]C1c2ccccc2-c2ccccc21)c1ccco1 ZINC000035139221 172006695 /nfs/dbraw/zinc/00/66/95/172006695.db2.gz JREWAONOHVYLKX-ZDUSSCGKSA-N 1 1 275.351 4.700 10 0 CJAEMO C[C@@H]([NH2+]C1c2ccccc2-c2ccccc21)c1ccco1 ZINC000035139223 172006822 /nfs/dbraw/zinc/00/68/22/172006822.db2.gz JREWAONOHVYLKX-CYBMUJFWSA-N 1 1 275.351 4.700 10 0 CJAEMO CCC(C)(C)C1CCC(CN)([N@@H+](C)C2CCCCC2)CC1 ZINC000035176647 172029028 /nfs/dbraw/zinc/02/90/28/172029028.db2.gz WBRUWKSOBZCSAR-UHFFFAOYSA-N 1 1 294.527 4.575 10 0 CJAEMO CC[N@@H+](C1CCCCC1)C1(CN)CCC(C(C)(C)C)CC1 ZINC000035176743 172030055 /nfs/dbraw/zinc/03/00/55/172030055.db2.gz AABGMVBGKPEXGE-UHFFFAOYSA-N 1 1 294.527 4.575 10 0 CJAEMO CC[N@@H+](C1CCCCC1)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1N ZINC000035219744 172060506 /nfs/dbraw/zinc/06/05/06/172060506.db2.gz GTSKUFRXZPSSHH-RYQLBKOJSA-N 1 1 294.527 4.573 10 0 CJAEMO C[N@@H+](C1CCCCC1)[C@@H]1CCCCCCCCCC[C@@H]1N ZINC000035219771 172061233 /nfs/dbraw/zinc/06/12/33/172061233.db2.gz MKQTYBWQUTXKIW-RBUKOAKNSA-N 1 1 294.527 4.861 10 0 CJAEMO C[N@@H+](C1CCCCC1)[C@H]1CCCCCCCCCC[C@@H]1N ZINC000035219772 172061305 /nfs/dbraw/zinc/06/13/05/172061305.db2.gz MKQTYBWQUTXKIW-OALUTQOASA-N 1 1 294.527 4.861 10 0 CJAEMO C[C@H]([NH2+]Cc1ccc(Cl)s1)c1cc(F)ccc1F ZINC000035256179 172086356 /nfs/dbraw/zinc/08/63/56/172086356.db2.gz BFZDAJUMAQWNSL-QMMMGPOBSA-N 1 1 287.762 4.531 10 0 CJAEMO C[C@@H]([NH2+]Cc1ccc(Cl)s1)c1cc(F)ccc1F ZINC000035256180 172086252 /nfs/dbraw/zinc/08/62/52/172086252.db2.gz BFZDAJUMAQWNSL-MRVPVSSYSA-N 1 1 287.762 4.531 10 0 CJAEMO C[NH2+][C@@H](c1ccc(Cl)s1)c1c(F)cccc1Cl ZINC000035498520 172232418 /nfs/dbraw/zinc/23/24/18/172232418.db2.gz LTSOVYZFGNIOKS-LBPRGKRZSA-N 1 1 290.190 4.503 10 0 CJAEMO C[NH2+][C@H](c1ccc(Cl)s1)c1c(F)cccc1Cl ZINC000035498522 172232158 /nfs/dbraw/zinc/23/21/58/172232158.db2.gz LTSOVYZFGNIOKS-GFCCVEGCSA-N 1 1 290.190 4.503 10 0 CJAEMO C[NH2+][C@@H](c1cc(C)oc1C)c1cc(Cl)sc1Cl ZINC000035502054 172236271 /nfs/dbraw/zinc/23/62/71/172236271.db2.gz QSHYATNWVMAJKZ-NSHDSACASA-N 1 1 290.215 4.574 10 0 CJAEMO C[NH2+][C@H](c1cc(C)oc1C)c1cc(Cl)sc1Cl ZINC000035502055 172236305 /nfs/dbraw/zinc/23/63/05/172236305.db2.gz QSHYATNWVMAJKZ-LLVKDONJSA-N 1 1 290.215 4.574 10 0 CJAEMO C[NH2+][C@H](c1cc(Cl)sc1Cl)c1ccccc1F ZINC000035502229 172237785 /nfs/dbraw/zinc/23/77/85/172237785.db2.gz GCXQYHSPWYIUCE-NSHDSACASA-N 1 1 290.190 4.503 10 0 CJAEMO C[NH2+][C@@H](c1cc(Cl)sc1Cl)c1ccccc1F ZINC000035502230 172237753 /nfs/dbraw/zinc/23/77/53/172237753.db2.gz GCXQYHSPWYIUCE-LLVKDONJSA-N 1 1 290.190 4.503 10 0 CJAEMO C[NH2+][C@H](c1cc(Cl)sc1Cl)c1cccc(F)c1 ZINC000035502240 172237568 /nfs/dbraw/zinc/23/75/68/172237568.db2.gz TVVLTSIMNHZGMN-NSHDSACASA-N 1 1 290.190 4.503 10 0 CJAEMO C[NH2+][C@@H](c1cc(Cl)sc1Cl)c1cccc(F)c1 ZINC000035502242 172237609 /nfs/dbraw/zinc/23/76/09/172237609.db2.gz TVVLTSIMNHZGMN-LLVKDONJSA-N 1 1 290.190 4.503 10 0 CJAEMO C[NH2+][C@H](c1cc(Cl)sc1Cl)c1ccc(F)cc1 ZINC000035502291 172237727 /nfs/dbraw/zinc/23/77/27/172237727.db2.gz JZQYTPACDJUMSM-NSHDSACASA-N 1 1 290.190 4.503 10 0 CJAEMO C[NH2+][C@@H](c1cc(Cl)sc1Cl)c1ccc(F)cc1 ZINC000035502293 172237816 /nfs/dbraw/zinc/23/78/16/172237816.db2.gz JZQYTPACDJUMSM-LLVKDONJSA-N 1 1 290.190 4.503 10 0 CJAEMO CC[NH2+][C@@H](c1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000035540126 172246074 /nfs/dbraw/zinc/24/60/74/172246074.db2.gz BCHGHYWIMUEVOI-HNNXBMFYSA-N 1 1 298.188 4.831 10 0 CJAEMO CC[NH2+][C@H](c1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000035540127 172245975 /nfs/dbraw/zinc/24/59/75/172245975.db2.gz BCHGHYWIMUEVOI-OAHLLOKOSA-N 1 1 298.188 4.831 10 0 CJAEMO CC[NH2+][C@@H](c1ccc(C)o1)c1cc(Cl)ccc1Cl ZINC000035558628 172264633 /nfs/dbraw/zinc/26/46/33/172264633.db2.gz YMCUSCJOXMSTTQ-CQSZACIVSA-N 1 1 284.186 4.594 10 0 CJAEMO CC[NH2+][C@H](c1ccc(C)o1)c1cc(Cl)ccc1Cl ZINC000035558631 172264245 /nfs/dbraw/zinc/26/42/45/172264245.db2.gz YMCUSCJOXMSTTQ-AWEZNQCLSA-N 1 1 284.186 4.594 10 0 CJAEMO CC[NH2+][C@H](c1occc1C)c1cc(Cl)ccc1Cl ZINC000035558660 172264458 /nfs/dbraw/zinc/26/44/58/172264458.db2.gz QOGKSEQUCTXKLG-ZDUSSCGKSA-N 1 1 284.186 4.594 10 0 CJAEMO CC[NH2+][C@@H](c1occc1C)c1cc(Cl)ccc1Cl ZINC000035558662 172264311 /nfs/dbraw/zinc/26/43/11/172264311.db2.gz QOGKSEQUCTXKLG-CYBMUJFWSA-N 1 1 284.186 4.594 10 0 CJAEMO CC[NH2+][C@@H](c1ccccc1F)c1cc(Cl)ccc1Cl ZINC000035558983 172264386 /nfs/dbraw/zinc/26/43/86/172264386.db2.gz MPGFSJMDFPGILF-HNNXBMFYSA-N 1 1 298.188 4.831 10 0 CJAEMO CC[NH2+][C@H](c1ccccc1F)c1cc(Cl)ccc1Cl ZINC000035558986 172264261 /nfs/dbraw/zinc/26/42/61/172264261.db2.gz MPGFSJMDFPGILF-OAHLLOKOSA-N 1 1 298.188 4.831 10 0 CJAEMO CC[NH2+][C@@H](c1ccc(C)o1)c1cc(Cl)sc1Cl ZINC000035559188 172264684 /nfs/dbraw/zinc/26/46/84/172264684.db2.gz YXNTZVYMRZCHBC-LLVKDONJSA-N 1 1 290.215 4.655 10 0 CJAEMO CC[NH2+][C@H](c1ccc(C)o1)c1cc(Cl)sc1Cl ZINC000035559191 172264475 /nfs/dbraw/zinc/26/44/75/172264475.db2.gz YXNTZVYMRZCHBC-NSHDSACASA-N 1 1 290.215 4.655 10 0 CJAEMO CC[NH2+][C@@H](c1cc(Cl)sc1Cl)c1occc1C ZINC000035559226 172264319 /nfs/dbraw/zinc/26/43/19/172264319.db2.gz MOTNFGLXAGPJOE-JTQLQIEISA-N 1 1 290.215 4.655 10 0 CJAEMO CC[NH2+][C@H](c1cc(Cl)sc1Cl)c1occc1C ZINC000035559228 172264087 /nfs/dbraw/zinc/26/40/87/172264087.db2.gz MOTNFGLXAGPJOE-SNVBAGLBSA-N 1 1 290.215 4.655 10 0 CJAEMO CC[NH2+][C@@H](c1ccoc1C)c1cc(Cl)sc1Cl ZINC000035559247 172264596 /nfs/dbraw/zinc/26/45/96/172264596.db2.gz WVEXSBMRZYQKGX-NSHDSACASA-N 1 1 290.215 4.655 10 0 CJAEMO CC[NH2+][C@H](c1ccoc1C)c1cc(Cl)sc1Cl ZINC000035559250 172264748 /nfs/dbraw/zinc/26/47/48/172264748.db2.gz WVEXSBMRZYQKGX-LLVKDONJSA-N 1 1 290.215 4.655 10 0 CJAEMO CCC[NH2+][C@@H](c1ccco1)c1cc(Cl)ccc1Cl ZINC000035585022 172285057 /nfs/dbraw/zinc/28/50/57/172285057.db2.gz QEMJZMAETIETAZ-CQSZACIVSA-N 1 1 284.186 4.675 10 0 CJAEMO CCC[NH2+][C@H](c1ccco1)c1cc(Cl)ccc1Cl ZINC000035585023 172284663 /nfs/dbraw/zinc/28/46/63/172284663.db2.gz QEMJZMAETIETAZ-AWEZNQCLSA-N 1 1 284.186 4.675 10 0 CJAEMO CCC[NH2+][C@@H](c1ccco1)c1cc(Cl)sc1Cl ZINC000035585281 172284749 /nfs/dbraw/zinc/28/47/49/172284749.db2.gz HTMQHYCXWCYJDT-LLVKDONJSA-N 1 1 290.215 4.737 10 0 CJAEMO CCC[NH2+][C@H](c1ccco1)c1cc(Cl)sc1Cl ZINC000035585283 172284693 /nfs/dbraw/zinc/28/46/93/172284693.db2.gz HTMQHYCXWCYJDT-NSHDSACASA-N 1 1 290.215 4.737 10 0 CJAEMO CCC[NH2+][C@@H](c1ccoc1)c1cc(Cl)sc1Cl ZINC000035585284 172284806 /nfs/dbraw/zinc/28/48/06/172284806.db2.gz PXXGNUHUILOOGO-NSHDSACASA-N 1 1 290.215 4.737 10 0 CJAEMO CCC[NH2+][C@H](c1ccoc1)c1cc(Cl)sc1Cl ZINC000035585285 172284958 /nfs/dbraw/zinc/28/49/58/172284958.db2.gz PXXGNUHUILOOGO-LLVKDONJSA-N 1 1 290.215 4.737 10 0 CJAEMO C[C@H]([NH2+]Cc1ccccc1)c1c(Cl)ccc(F)c1Cl ZINC000035789892 330251270 /nfs/dbraw/zinc/25/12/70/330251270.db2.gz DQGLPXVUTKZDSG-JTQLQIEISA-N 1 1 298.188 4.983 10 0 CJAEMO C[C@@H]([NH2+]Cc1ccccc1)c1c(Cl)ccc(F)c1Cl ZINC000035789896 330251323 /nfs/dbraw/zinc/25/13/23/330251323.db2.gz DQGLPXVUTKZDSG-SNVBAGLBSA-N 1 1 298.188 4.983 10 0 CJAEMO C[C@H]1CC[C@@H](Nc2[nH]c3ccccc3[nH+]2)c2ccccc21 ZINC000035905364 172424478 /nfs/dbraw/zinc/42/44/78/172424478.db2.gz AFQJPONMXLXQKC-SWLSCSKDSA-N 1 1 277.371 4.613 10 0 CJAEMO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)cs1 ZINC000036915253 527032951 /nfs/dbraw/zinc/03/29/51/527032951.db2.gz RHXITTHPBFAZOU-VHSXEESVSA-N 1 1 280.824 4.517 10 0 CJAEMO Cc1nc([C@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)cs1 ZINC000036915254 527065921 /nfs/dbraw/zinc/06/59/21/527065921.db2.gz RHXITTHPBFAZOU-UWVGGRQHSA-N 1 1 280.824 4.517 10 0 CJAEMO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1ccc(F)c(F)c1 ZINC000036921874 330313908 /nfs/dbraw/zinc/31/39/08/330313908.db2.gz NQHFXAGVSPYSKW-UWVGGRQHSA-N 1 1 297.295 4.655 10 0 CJAEMO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1ccc(F)c(F)c1 ZINC000036921875 330313822 /nfs/dbraw/zinc/31/38/22/330313822.db2.gz NQHFXAGVSPYSKW-ZJUUUORDSA-N 1 1 297.295 4.655 10 0 CJAEMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1cc(F)ccc1F ZINC000036921876 330313892 /nfs/dbraw/zinc/31/38/92/330313892.db2.gz NQHFXAGVSPYSKW-VHSXEESVSA-N 1 1 297.295 4.655 10 0 CJAEMO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1F)c1ccc(F)c(F)c1 ZINC000036921877 330313886 /nfs/dbraw/zinc/31/38/86/330313886.db2.gz NQHFXAGVSPYSKW-NXEZZACHSA-N 1 1 297.295 4.655 10 0 CJAEMO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)s2)cs1 ZINC000036992431 333452502 /nfs/dbraw/zinc/45/25/02/333452502.db2.gz OQCKWBWCPJOWLU-SFYZADRCSA-N 1 1 286.853 4.578 10 0 CJAEMO Cc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)s2)cs1 ZINC000036992433 328638943 /nfs/dbraw/zinc/63/89/43/328638943.db2.gz OQCKWBWCPJOWLU-HTQZYQBOSA-N 1 1 286.853 4.578 10 0 CJAEMO Cc1nc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)s2)cs1 ZINC000036992434 328639020 /nfs/dbraw/zinc/63/90/20/328639020.db2.gz OQCKWBWCPJOWLU-JGVFFNPUSA-N 1 1 286.853 4.578 10 0 CJAEMO C[C@H]([NH2+]Cc1ccccc1Cl)c1ccc(F)cc1Cl ZINC000037198966 333512668 /nfs/dbraw/zinc/51/26/68/333512668.db2.gz BOPFOKPAKTVDBI-JTQLQIEISA-N 1 1 298.188 4.983 10 0 CJAEMO Cc1cc(C)c([C@@H](C)Nc2ccccc2Cl)c(C)[nH+]1 ZINC000037210861 173032939 /nfs/dbraw/zinc/03/29/39/173032939.db2.gz AJGIGRRMNSZRFY-CYBMUJFWSA-N 1 1 274.795 4.833 10 0 CJAEMO Cc1cc(C)c([C@H](C)Nc2ccccc2Cl)c(C)[nH+]1 ZINC000037210862 173032845 /nfs/dbraw/zinc/03/28/45/173032845.db2.gz AJGIGRRMNSZRFY-ZDUSSCGKSA-N 1 1 274.795 4.833 10 0 CJAEMO Clc1ccc2c(NCC3CCCCC3)cc[nH+]c2c1 ZINC000037247302 173060131 /nfs/dbraw/zinc/06/01/31/173060131.db2.gz UHJDDHQIMSMTIO-UHFFFAOYSA-N 1 1 274.795 4.880 10 0 CJAEMO Cc1csc(C[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000038090677 526360381 /nfs/dbraw/zinc/36/03/81/526360381.db2.gz KAFHYOZSFYBYMZ-AWEZNQCLSA-N 1 1 288.460 4.501 10 0 CJAEMO Cc1csc(C[NH2+][C@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000038090678 526360567 /nfs/dbraw/zinc/36/05/67/526360567.db2.gz KAFHYOZSFYBYMZ-CQSZACIVSA-N 1 1 288.460 4.501 10 0 CJAEMO Clc1ccccc1Nc1cc[nH+]c2ccccc12 ZINC000038303052 174138899 /nfs/dbraw/zinc/13/88/99/174138899.db2.gz RQNWFHHJWJJNKY-UHFFFAOYSA-N 1 1 254.720 4.632 10 0 CJAEMO Clc1ccc(Nc2[nH]c3cc(Cl)ccc3[nH+]2)cc1 ZINC000038921812 174159539 /nfs/dbraw/zinc/15/95/39/174159539.db2.gz NXPJSIQURRPXSH-UHFFFAOYSA-N 1 1 278.142 4.613 10 0 CJAEMO Clc1ccc(Nc2[nH]c3ccc(Cl)cc3[nH+]2)cc1 ZINC000038921812 174159537 /nfs/dbraw/zinc/15/95/37/174159537.db2.gz NXPJSIQURRPXSH-UHFFFAOYSA-N 1 1 278.142 4.613 10 0 CJAEMO Cc1c(Cl)ccc2c(NCc3ccccc3)cc[nH+]c12 ZINC000040358978 174246359 /nfs/dbraw/zinc/24/63/59/174246359.db2.gz ILZLMLPISLQQDV-UHFFFAOYSA-N 1 1 282.774 4.809 10 0 CJAEMO Cc1c(Cl)ccc2c(NCCc3ccccc3)cc[nH+]c12 ZINC000040358980 174246044 /nfs/dbraw/zinc/24/60/44/174246044.db2.gz TUSPVRVYNYBWLG-UHFFFAOYSA-N 1 1 296.801 4.851 10 0 CJAEMO Clc1ccc2c(c1)[C@H](Nc1[nH]c3ccccc3[nH+]1)CCC2 ZINC000040393420 174252179 /nfs/dbraw/zinc/25/21/79/174252179.db2.gz OJFKMFUSWAIMDW-CQSZACIVSA-N 1 1 297.789 4.706 10 0 CJAEMO Clc1ccc2c(c1)[C@@H](Nc1[nH]c3ccccc3[nH+]1)CCC2 ZINC000040393421 174252490 /nfs/dbraw/zinc/25/24/90/174252490.db2.gz OJFKMFUSWAIMDW-AWEZNQCLSA-N 1 1 297.789 4.706 10 0 CJAEMO Cc1cc(C)cc(Nc2cc[nH+]c3c(C)cccc23)c1 ZINC000041055151 174464973 /nfs/dbraw/zinc/46/49/73/174464973.db2.gz TUOZQILWMOZKTC-UHFFFAOYSA-N 1 1 262.356 4.904 10 0 CJAEMO Cc1cccc(Nc2cc[nH+]c3c(C)cccc23)c1C ZINC000041055171 174464633 /nfs/dbraw/zinc/46/46/33/174464633.db2.gz INMSTJOQOSKDEP-UHFFFAOYSA-N 1 1 262.356 4.904 10 0 CJAEMO CCc1ccccc1Nc1cc[nH+]c2ccc(OC)cc12 ZINC000041055455 174464648 /nfs/dbraw/zinc/46/46/48/174464648.db2.gz UFFMWMDCAASOSO-UHFFFAOYSA-N 1 1 278.355 4.549 10 0 CJAEMO COc1ccc2[nH+]ccc(Nc3ccc(C)cc3C)c2c1 ZINC000041055465 174464744 /nfs/dbraw/zinc/46/47/44/174464744.db2.gz AHYNIPLRSBEOCZ-UHFFFAOYSA-N 1 1 278.355 4.604 10 0 CJAEMO Cc1c(Cl)cccc1Nc1cc[nH+]c2ccccc12 ZINC000041055563 174465317 /nfs/dbraw/zinc/46/53/17/174465317.db2.gz OJQDKQIAYCEDOJ-UHFFFAOYSA-N 1 1 268.747 4.940 10 0 CJAEMO Cc1cc(C)c2[nH+]c(NCc3ccccc3)cc(C)c2c1 ZINC000041127839 174490283 /nfs/dbraw/zinc/49/02/83/174490283.db2.gz RLZYWYINXFJQGO-UHFFFAOYSA-N 1 1 276.383 4.772 10 0 CJAEMO Cc1cc(C)c2[nH+]c(NCCc3ccccc3)cc(C)c2c1 ZINC000041127842 174490010 /nfs/dbraw/zinc/49/00/10/174490010.db2.gz WDCVOASKRZJCBM-UHFFFAOYSA-N 1 1 290.410 4.815 10 0 CJAEMO CC(C)(C)[N@@H+](CCC(=O)c1ccccc1)Cc1ccccc1 ZINC000045358649 175362425 /nfs/dbraw/zinc/36/24/25/175362425.db2.gz PEQILCURPMLZOF-UHFFFAOYSA-N 1 1 295.426 4.560 10 0 CJAEMO CCc1ccccc1Nc1[nH]c2ccc(Cl)cc2[nH+]1 ZINC000045918839 175386230 /nfs/dbraw/zinc/38/62/30/175386230.db2.gz XDGWZBLRWWAKIL-UHFFFAOYSA-N 1 1 271.751 4.522 10 0 CJAEMO CCC[C@H]([NH2+][C@@H](C)c1csc(C)n1)c1cccs1 ZINC000049541568 521170605 /nfs/dbraw/zinc/17/06/05/521170605.db2.gz GXASVRNEIQBNAY-JQWIXIFHSA-N 1 1 280.462 4.705 10 0 CJAEMO CCC[C@@H]([NH2+][C@H](C)c1csc(C)n1)c1cccs1 ZINC000049541571 520793772 /nfs/dbraw/zinc/79/37/72/520793772.db2.gz GXASVRNEIQBNAY-ZYHUDNBSSA-N 1 1 280.462 4.705 10 0 CJAEMO C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccc(F)cc1Cl ZINC000049577508 327289219 /nfs/dbraw/zinc/28/92/19/327289219.db2.gz IUEWTRQNOMGEEE-VIFPVBQESA-N 1 1 299.723 4.608 10 0 CJAEMO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccc(F)cc1Cl ZINC000049577509 328372572 /nfs/dbraw/zinc/37/25/72/328372572.db2.gz IUEWTRQNOMGEEE-SECBINFHSA-N 1 1 299.723 4.608 10 0 CJAEMO Cc1ccc[nH+]c1N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000051040829 525543470 /nfs/dbraw/zinc/54/34/70/525543470.db2.gz SOCSUFRHAMQESB-JTQLQIEISA-N 1 1 281.186 4.870 10 0 CJAEMO Cc1ccc[nH+]c1N[C@H](C)c1ccc(Cl)cc1Cl ZINC000051040830 525545031 /nfs/dbraw/zinc/54/50/31/525545031.db2.gz SOCSUFRHAMQESB-SNVBAGLBSA-N 1 1 281.186 4.870 10 0 CJAEMO CCCC[N@@H+](Cc1nc(Cl)ccc1Cl)[C@@H](C)CC ZINC000061631130 520549896 /nfs/dbraw/zinc/54/98/96/520549896.db2.gz KEINCSYUMHCGGG-NSHDSACASA-N 1 1 289.250 4.789 10 0 CJAEMO CCCC[N@@H+](Cc1nc(Cl)ccc1Cl)[C@H](C)CC ZINC000061631131 520550642 /nfs/dbraw/zinc/55/06/42/520550642.db2.gz KEINCSYUMHCGGG-LLVKDONJSA-N 1 1 289.250 4.789 10 0 CJAEMO Cc1[nH+]c2c(Cl)ccc(Cl)c2c(N)c1C(C)C ZINC000061687713 527092129 /nfs/dbraw/zinc/09/21/29/527092129.db2.gz FEFBWWRMSFSFKT-UHFFFAOYSA-N 1 1 269.175 4.556 10 0 CJAEMO CC[NH2+][C@@H](c1ccccc1F)c1cccc(Cl)c1Cl ZINC000062774857 520115369 /nfs/dbraw/zinc/11/53/69/520115369.db2.gz PGKUVYXSGFAZTF-HNNXBMFYSA-N 1 1 298.188 4.831 10 0 CJAEMO CC[NH2+][C@H](c1ccccc1F)c1cccc(Cl)c1Cl ZINC000062774858 520212207 /nfs/dbraw/zinc/21/22/07/520212207.db2.gz PGKUVYXSGFAZTF-OAHLLOKOSA-N 1 1 298.188 4.831 10 0 CJAEMO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)c1nccs1 ZINC000070984412 333841189 /nfs/dbraw/zinc/84/11/89/333841189.db2.gz RTRJVENYVPZVKL-STQMWFEESA-N 1 1 282.412 4.708 10 0 CJAEMO C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1)c1nccs1 ZINC000070984418 333841121 /nfs/dbraw/zinc/84/11/21/333841121.db2.gz RTRJVENYVPZVKL-CHWSQXEVSA-N 1 1 282.412 4.708 10 0 CJAEMO Cc1ccc2[nH+]c(Nc3ccc(C(C)(C)C)cc3)[nH]c2c1 ZINC000071418295 176160507 /nfs/dbraw/zinc/16/05/07/176160507.db2.gz XGCUGKHLGDBCHK-UHFFFAOYSA-N 1 1 279.387 4.912 10 0 CJAEMO c1oc(-c2ccccc2)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000071864160 176280664 /nfs/dbraw/zinc/28/06/64/176280664.db2.gz BMWMRXNYWYRLCU-UHFFFAOYSA-N 1 1 289.378 4.505 10 0 CJAEMO CC[N@H+]1C[C@H]2CCCC[C@@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC000072113757 176318099 /nfs/dbraw/zinc/31/80/99/176318099.db2.gz KVTPLEPXMVVCIZ-CJNGLKHVSA-N 1 1 298.257 4.757 10 0 CJAEMO CC[N@H+]1C[C@@H]2CCCC[C@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC000072113758 176318261 /nfs/dbraw/zinc/31/82/61/176318261.db2.gz KVTPLEPXMVVCIZ-XJKSGUPXSA-N 1 1 298.257 4.757 10 0 CJAEMO CC(C)Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nccs2)cc1 ZINC000080265306 334168964 /nfs/dbraw/zinc/16/89/64/334168964.db2.gz PUWLWQWXGXWGIJ-ZIAGYGMSSA-N 1 1 288.460 4.753 10 0 CJAEMO CC(C)Cc1ccc([C@H](C)[NH2+][C@H](C)c2nccs2)cc1 ZINC000080265308 334168999 /nfs/dbraw/zinc/16/89/99/334168999.db2.gz PUWLWQWXGXWGIJ-UONOGXRCSA-N 1 1 288.460 4.753 10 0 CJAEMO CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)c2nccs2)cc1 ZINC000080265323 260179206 /nfs/dbraw/zinc/17/92/06/260179206.db2.gz QBKSHZULZLBAHB-CHWSQXEVSA-N 1 1 274.433 4.678 10 0 CJAEMO CC(C)c1ccc([C@H](C)[NH2+][C@H](C)c2nccs2)cc1 ZINC000080265324 260179215 /nfs/dbraw/zinc/17/92/15/260179215.db2.gz QBKSHZULZLBAHB-QWHCGFSZSA-N 1 1 274.433 4.678 10 0 CJAEMO C[C@@H](c1ccco1)[N@@H+](Cc1ccc2ccccc2n1)C1CC1 ZINC000086233172 330369223 /nfs/dbraw/zinc/36/92/23/330369223.db2.gz IOICWIQAGBFBLY-AWEZNQCLSA-N 1 1 292.382 4.553 10 0 CJAEMO C[C@H](c1ccco1)[N@@H+](Cc1ccc2ccccc2n1)C1CC1 ZINC000086233174 330369209 /nfs/dbraw/zinc/36/92/09/330369209.db2.gz IOICWIQAGBFBLY-CQSZACIVSA-N 1 1 292.382 4.553 10 0 CJAEMO C[C@H](Nc1cc[nH+]cc1Cl)c1ccc(Cl)s1 ZINC000086831213 525674164 /nfs/dbraw/zinc/67/41/64/525674164.db2.gz AMQBWQPGXJSIMZ-ZETCQYMHSA-N 1 1 273.188 4.623 10 0 CJAEMO C[C@@H](Nc1cc[nH+]cc1Cl)c1ccc(Cl)s1 ZINC000086831214 525723293 /nfs/dbraw/zinc/72/32/93/525723293.db2.gz AMQBWQPGXJSIMZ-SSDOTTSWSA-N 1 1 273.188 4.623 10 0 CJAEMO Cc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2Cl)o1 ZINC000087758922 260225258 /nfs/dbraw/zinc/22/52/58/260225258.db2.gz YEZVRIOAYAQHGA-SNVBAGLBSA-N 1 1 284.186 4.746 10 0 CJAEMO Cc1ccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2Cl)o1 ZINC000087758923 260225425 /nfs/dbraw/zinc/22/54/25/260225425.db2.gz YEZVRIOAYAQHGA-JTQLQIEISA-N 1 1 284.186 4.746 10 0 CJAEMO C[C@H](Nc1cc[nH+]cc1Cl)c1cccc(Cl)c1 ZINC000094195499 265223079 /nfs/dbraw/zinc/22/30/79/265223079.db2.gz LIAQHZCQDSDZMT-VIFPVBQESA-N 1 1 267.159 4.562 10 0 CJAEMO Cc1cscc1C[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000094877323 265269402 /nfs/dbraw/zinc/26/94/02/265269402.db2.gz IBARXNYVDNTBRY-KRWDZBQOSA-N 1 1 283.396 4.529 10 0 CJAEMO Cc1cscc1C[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000094877324 265269819 /nfs/dbraw/zinc/26/98/19/265269819.db2.gz IBARXNYVDNTBRY-QGZVFWFLSA-N 1 1 283.396 4.529 10 0 CJAEMO C[N@H+]1CC[C@H](c2ccccc2)C[C@@H]1[C@@H]1CCCC(F)(F)C1 ZINC000095831266 185029672 /nfs/dbraw/zinc/02/96/72/185029672.db2.gz RLROUSFMKCIHFB-GVDBMIGSSA-N 1 1 293.401 4.690 10 0 CJAEMO Cc1ccc2c(cc[nH+]c2Nc2cccc(Cl)c2)c1N ZINC000096846254 185117238 /nfs/dbraw/zinc/11/72/38/185117238.db2.gz BWEOVFALIZBEEB-UHFFFAOYSA-N 1 1 283.762 4.522 10 0 CJAEMO Cc1ccc2c(cc[nH+]c2Nc2ccc(Cl)cc2)c1N ZINC000096846256 185116909 /nfs/dbraw/zinc/11/69/09/185116909.db2.gz DAGZHANGSFFOOG-UHFFFAOYSA-N 1 1 283.762 4.522 10 0 CJAEMO CC1(CNc2cc[nH+]c3cc(Cl)ccc23)CCCC1 ZINC000104448591 186006000 /nfs/dbraw/zinc/00/60/00/186006000.db2.gz FMESGFWGXWHWMX-UHFFFAOYSA-N 1 1 274.795 4.880 10 0 CJAEMO CCCc1cc(NC)c2c(Cl)cc(Cl)cc2[nH+]1 ZINC000110520442 186300738 /nfs/dbraw/zinc/30/07/38/186300738.db2.gz RMLNQFKQJCCYDQ-UHFFFAOYSA-N 1 1 269.175 4.536 10 0 CJAEMO C[C@H]([NH2+]Cc1cc(Cl)ccc1F)c1ccc(F)c(F)c1 ZINC000125076526 328370706 /nfs/dbraw/zinc/37/07/06/328370706.db2.gz LULWLYQYSLMVER-VIFPVBQESA-N 1 1 299.723 4.608 10 0 CJAEMO C[C@H]([NH2+]Cc1cccc(Cl)c1F)c1ccc(F)c(F)c1 ZINC000135376406 334128193 /nfs/dbraw/zinc/12/81/93/334128193.db2.gz WDTJUJWXENMWQH-VIFPVBQESA-N 1 1 299.723 4.608 10 0 CJAEMO C[C@@H]([NH2+]Cc1cccc(Cl)c1F)c1ccc(F)c(F)c1 ZINC000135376426 334128102 /nfs/dbraw/zinc/12/81/02/334128102.db2.gz WDTJUJWXENMWQH-SECBINFHSA-N 1 1 299.723 4.608 10 0 CJAEMO CCCn1c(C)cc2cc[nH+]c(N[C@H](C)c3ccccc3)c21 ZINC000146503772 187912406 /nfs/dbraw/zinc/91/24/06/187912406.db2.gz LTHXWACDHUHCPO-OAHLLOKOSA-N 1 1 293.414 4.928 10 0 CJAEMO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000158174636 334794470 /nfs/dbraw/zinc/79/44/70/334794470.db2.gz XRZJTHDDUHXUDK-NWDGAFQWSA-N 1 1 293.794 4.662 10 0 CJAEMO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000158174782 334794759 /nfs/dbraw/zinc/79/47/59/334794759.db2.gz XRZJTHDDUHXUDK-RYUDHWBXSA-N 1 1 293.794 4.662 10 0 CJAEMO COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000158174912 334794858 /nfs/dbraw/zinc/79/48/58/334794858.db2.gz XRZJTHDDUHXUDK-VXGBXAGGSA-N 1 1 293.794 4.662 10 0 CJAEMO C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)c1cccs1 ZINC000173811578 329152568 /nfs/dbraw/zinc/15/25/68/329152568.db2.gz AXTMJDHDFDYGKC-STQMWFEESA-N 1 1 298.411 4.815 10 0 CJAEMO C[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)c1cccs1 ZINC000173811591 329152661 /nfs/dbraw/zinc/15/26/61/329152661.db2.gz AXTMJDHDFDYGKC-OLZOCXBDSA-N 1 1 298.411 4.815 10 0 CJAEMO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ncc(-c2ccccc2)o1 ZINC000173811601 329152647 /nfs/dbraw/zinc/15/26/47/329152647.db2.gz AXTMJDHDFDYGKC-QWHCGFSZSA-N 1 1 298.411 4.815 10 0 CJAEMO C[C@@H]([NH2+][C@H](C)c1ncc(-c2ccccc2)o1)c1cccs1 ZINC000173811612 329152689 /nfs/dbraw/zinc/15/26/89/329152689.db2.gz AXTMJDHDFDYGKC-CHWSQXEVSA-N 1 1 298.411 4.815 10 0 CJAEMO c1csc([C@H]2CCCC[N@@H+]2Cc2cc3ccccc3o2)n1 ZINC000178523394 329197930 /nfs/dbraw/zinc/19/79/30/329197930.db2.gz IUKFINKZGSNDKC-OAHLLOKOSA-N 1 1 298.411 4.617 10 0 CJAEMO c1csc([C@H]2CCCC[N@H+]2Cc2cc3ccccc3o2)n1 ZINC000178523394 329197928 /nfs/dbraw/zinc/19/79/28/329197928.db2.gz IUKFINKZGSNDKC-OAHLLOKOSA-N 1 1 298.411 4.617 10 0 CJAEMO c1csc([C@@H]2CCCC[N@@H+]2Cc2cc3ccccc3o2)n1 ZINC000178523401 329197904 /nfs/dbraw/zinc/19/79/04/329197904.db2.gz IUKFINKZGSNDKC-HNNXBMFYSA-N 1 1 298.411 4.617 10 0 CJAEMO c1csc([C@@H]2CCCC[N@H+]2Cc2cc3ccccc3o2)n1 ZINC000178523401 329197902 /nfs/dbraw/zinc/19/79/02/329197902.db2.gz IUKFINKZGSNDKC-HNNXBMFYSA-N 1 1 298.411 4.617 10 0 CJAEMO C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccsc1 ZINC000178613327 329201477 /nfs/dbraw/zinc/20/14/77/329201477.db2.gz PWXMMGDSZCANDS-KSSFIOAISA-N 1 1 294.423 4.583 10 0 CJAEMO C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccsc1 ZINC000178613333 329201420 /nfs/dbraw/zinc/20/14/20/329201420.db2.gz PWXMMGDSZCANDS-KDOFPFPSSA-N 1 1 294.423 4.583 10 0 CJAEMO C[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccsc1 ZINC000178613343 329201357 /nfs/dbraw/zinc/20/13/57/329201357.db2.gz PWXMMGDSZCANDS-KBXCAEBGSA-N 1 1 294.423 4.583 10 0 CJAEMO C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccsc1 ZINC000178613353 329201271 /nfs/dbraw/zinc/20/12/71/329201271.db2.gz PWXMMGDSZCANDS-RDTXWAMCSA-N 1 1 294.423 4.583 10 0 CJAEMO FC(F)c1ccc(C[N@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000183947081 333123772 /nfs/dbraw/zinc/12/37/72/333123772.db2.gz KHGXXORLGHAEDT-AWEZNQCLSA-N 1 1 277.314 4.554 10 0 CJAEMO FC(F)c1ccc(C[N@H+]2CCC[C@@H]2c2ccco2)cc1 ZINC000183947096 333123981 /nfs/dbraw/zinc/12/39/81/333123981.db2.gz KHGXXORLGHAEDT-CQSZACIVSA-N 1 1 277.314 4.554 10 0 CJAEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2F)o1 ZINC000187494307 333171841 /nfs/dbraw/zinc/17/18/41/333171841.db2.gz UXKMTPHJPKYCPZ-WDEREUQCSA-N 1 1 281.758 4.792 10 0 CJAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2F)o1 ZINC000187494323 333171766 /nfs/dbraw/zinc/17/17/66/333171766.db2.gz UXKMTPHJPKYCPZ-QWRGUYRKSA-N 1 1 281.758 4.792 10 0 CJAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(Cl)c2F)o1 ZINC000187494333 333171768 /nfs/dbraw/zinc/17/17/68/333171768.db2.gz UXKMTPHJPKYCPZ-GHMZBOCLSA-N 1 1 281.758 4.792 10 0 CJAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(Cl)c2F)o1 ZINC000187494350 333171826 /nfs/dbraw/zinc/17/18/26/333171826.db2.gz UXKMTPHJPKYCPZ-MNOVXSKESA-N 1 1 281.758 4.792 10 0 CJAEMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189919195 264338867 /nfs/dbraw/zinc/33/88/67/264338867.db2.gz MPTNUQCECUXDLQ-BJRSVTDJSA-N 1 1 298.455 4.692 10 0 CJAEMO C[C@@H]([NH2+]Cc1ccc(F)cc1Cl)c1ccc(F)c(F)c1 ZINC000219347391 333147710 /nfs/dbraw/zinc/14/77/10/333147710.db2.gz HHBYLMZJFTXVTL-SECBINFHSA-N 1 1 299.723 4.608 10 0 CJAEMO C[C@H]([NH2+]Cc1ccc(F)cc1Cl)c1ccc(F)c(F)c1 ZINC000219347471 333147621 /nfs/dbraw/zinc/14/76/21/333147621.db2.gz HHBYLMZJFTXVTL-VIFPVBQESA-N 1 1 299.723 4.608 10 0 CJAEMO CCCC[N@@H+]1CC=C(c2nc3cc(C(C)C)ccc3o2)CC1 ZINC000226250940 567039351 /nfs/dbraw/zinc/03/93/51/567039351.db2.gz JWJGMNWTXMIHHG-UHFFFAOYSA-N 1 1 298.430 4.840 10 0 CJAEMO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2cc3ccccc3s2)o1 ZINC000230638778 333319168 /nfs/dbraw/zinc/31/91/68/333319168.db2.gz JSZOFDLVNHSVTD-NWDGAFQWSA-N 1 1 286.400 4.610 10 0 CJAEMO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2cc3ccccc3s2)o1 ZINC000230638782 333319197 /nfs/dbraw/zinc/31/91/97/333319197.db2.gz JSZOFDLVNHSVTD-RYUDHWBXSA-N 1 1 286.400 4.610 10 0 CJAEMO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2cc3ccccc3s2)o1 ZINC000230638787 333319332 /nfs/dbraw/zinc/31/93/32/333319332.db2.gz JSZOFDLVNHSVTD-VXGBXAGGSA-N 1 1 286.400 4.610 10 0 CJAEMO Cc1cnc([C@H](C)[NH2+][C@H](C)c2cc3ccccc3s2)o1 ZINC000230638791 333319371 /nfs/dbraw/zinc/31/93/71/333319371.db2.gz JSZOFDLVNHSVTD-NEPJUHHUSA-N 1 1 286.400 4.610 10 0 CJAEMO C[N@H+]1CC[C@H](c2ccccc2)C[C@H]1[C@@H]1CCCC(F)(F)C1 ZINC000255189696 131145213 /nfs/dbraw/zinc/14/52/13/131145213.db2.gz RLROUSFMKCIHFB-BBWFWOEESA-N 1 1 293.401 4.690 10 0 CJAEMO C[N@H+]1CC[C@H](c2ccccc2)C[C@@H]1[C@H]1CCCC(F)(F)C1 ZINC000255189698 131145145 /nfs/dbraw/zinc/14/51/45/131145145.db2.gz RLROUSFMKCIHFB-YESZJQIVSA-N 1 1 293.401 4.690 10 0 CJAEMO C[C@@H]([NH2+]Cc1ccsc1Cl)c1ccc(Cl)s1 ZINC000309815254 333049951 /nfs/dbraw/zinc/04/99/51/333049951.db2.gz VDTJVIHKYIRXNZ-SSDOTTSWSA-N 1 1 292.256 4.967 10 0 CJAEMO C[C@H]([NH2+]Cc1ccsc1Cl)c1ccc(Cl)s1 ZINC000309815255 333050028 /nfs/dbraw/zinc/05/00/28/333050028.db2.gz VDTJVIHKYIRXNZ-ZETCQYMHSA-N 1 1 292.256 4.967 10 0 CJAEMO C[C@H]([NH2+]Cc1ccsc1Cl)c1cccc(Cl)c1 ZINC000312554526 260148141 /nfs/dbraw/zinc/14/81/41/260148141.db2.gz JKOWYAQZQOCKGQ-VIFPVBQESA-N 1 1 286.227 4.906 10 0 CJAEMO C[C@H]([NH2+]Cc1ccsc1Cl)c1ccc(F)c(F)c1 ZINC000312574541 326916200 /nfs/dbraw/zinc/91/62/00/326916200.db2.gz DKMFXVADNSUZAC-QMMMGPOBSA-N 1 1 287.762 4.531 10 0 CJAEMO Cc1ccc([C@H](C)[NH2+]Cc2ccsc2Cl)cc1F ZINC000312686524 333375949 /nfs/dbraw/zinc/37/59/49/333375949.db2.gz SJEOCQGQGPEJPB-JTQLQIEISA-N 1 1 283.799 4.700 10 0 CJAEMO Cc1ccc([C@@H](C)[NH2+]Cc2ccsc2Cl)cc1F ZINC000312686526 260191001 /nfs/dbraw/zinc/19/10/01/260191001.db2.gz SJEOCQGQGPEJPB-SNVBAGLBSA-N 1 1 283.799 4.700 10 0 CJAEMO CCOc1ccccc1[C@H](C)[NH2+]Cc1ccsc1Cl ZINC000312762886 326963267 /nfs/dbraw/zinc/96/32/67/326963267.db2.gz WIRANNJNSJDPNM-NSHDSACASA-N 1 1 295.835 4.651 10 0 CJAEMO